USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 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 41:sc= 0.157 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot 29:sc= 1.06 USER MOD Single : A 471 SER OG : rot 76:sc= 1.24 USER MOD Single : A 478 LYS NZ :NH3+ -172:sc= 2.41 (180deg=2.23) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl -165:sc= -0.125 (180deg=-0.569) USER MOD Single : A 483 THR OG1 : rot 66:sc= 0.944 USER MOD Single : A 489 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0568) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 496 LYS NZ :NH3+ -130:sc= 0.0659 (180deg=-0.549) USER MOD Single : A 498 HIS : no HD1:sc= -2.8! K(o=-2.8!,f=-1.4) USER MOD Single : A 499 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 500 MET CE :methyl 159:sc= -0.157 (180deg=-0.686) USER MOD Single : A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.746 -0.686 6.989 1.00 1.77 N ATOM 2 CA SER A 462 -4.644 0.038 7.603 1.00 1.60 C ATOM 3 C SER A 462 -3.388 -0.833 7.659 1.00 1.25 C ATOM 4 O SER A 462 -2.284 -0.333 7.880 1.00 1.09 O ATOM 5 CB SER A 462 -5.048 0.505 8.998 1.00 1.97 C ATOM 6 OG SER A 462 -6.257 1.250 8.944 1.00 2.70 O ATOM 0 HA SER A 462 -4.413 0.913 6.995 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.174 -0.357 9.654 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.255 1.118 9.426 1.00 1.97 H new ATOM 0 HG SER A 462 -6.878 0.821 8.319 1.00 2.70 H new ATOM 14 N VAL A 463 -3.571 -2.137 7.454 1.00 1.25 N ATOM 15 CA VAL A 463 -2.451 -3.062 7.357 1.00 1.07 C ATOM 16 C VAL A 463 -1.560 -2.679 6.180 1.00 0.89 C ATOM 17 O VAL A 463 -0.418 -2.269 6.374 1.00 0.76 O ATOM 18 CB VAL A 463 -2.925 -4.525 7.191 1.00 1.28 C ATOM 19 CG1 VAL A 463 -1.741 -5.480 7.189 1.00 1.28 C ATOM 20 CG2 VAL A 463 -3.913 -4.898 8.287 1.00 1.50 C ATOM 0 H VAL A 463 -4.487 -2.574 7.352 1.00 1.25 H new ATOM 0 HA VAL A 463 -1.888 -2.994 8.288 1.00 1.07 H new ATOM 0 HB VAL A 463 -3.432 -4.610 6.230 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.099 -6.503 7.071 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.074 -5.231 6.363 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.200 -5.391 8.131 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.234 -5.931 8.152 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.434 -4.791 9.260 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -4.780 -4.239 8.235 1.00 1.50 H new ATOM 30 N ILE A 464 -2.099 -2.777 4.963 1.00 1.02 N ATOM 31 CA ILE A 464 -1.348 -2.410 3.764 1.00 1.02 C ATOM 32 C ILE A 464 -0.973 -0.928 3.823 1.00 0.88 C ATOM 33 O ILE A 464 0.124 -0.533 3.407 1.00 0.84 O ATOM 34 CB ILE A 464 -2.150 -2.740 2.464 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.251 -2.698 1.209 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.348 -1.814 2.291 1.00 1.96 C ATOM 37 CD1 ILE A 464 -0.932 -1.319 0.677 1.00 2.72 C ATOM 0 H ILE A 464 -3.048 -3.106 4.784 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.434 -3.002 3.732 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.522 -3.758 2.577 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -0.314 -3.204 1.439 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -1.736 -3.269 0.418 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -3.880 -2.075 1.376 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.018 -1.922 3.144 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -3.004 -0.782 2.229 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -0.296 -1.407 -0.204 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -1.857 -0.810 0.407 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -0.413 -0.744 1.444 1.00 2.72 H new ATOM 49 N ARG A 465 -1.874 -0.129 4.392 1.00 0.94 N ATOM 50 CA ARG A 465 -1.657 1.303 4.542 1.00 0.95 C ATOM 51 C ARG A 465 -0.356 1.571 5.298 1.00 0.83 C ATOM 52 O ARG A 465 0.442 2.415 4.903 1.00 0.90 O ATOM 53 CB ARG A 465 -2.837 1.926 5.288 1.00 1.18 C ATOM 54 CG ARG A 465 -3.009 3.417 5.056 1.00 1.57 C ATOM 55 CD ARG A 465 -4.133 3.972 5.916 1.00 1.81 C ATOM 56 NE ARG A 465 -4.594 5.280 5.454 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.352 6.425 6.087 1.00 2.61 C ATOM 58 NH1 ARG A 465 -3.617 6.441 7.192 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.858 7.553 5.612 1.00 3.37 N ATOM 0 H ARG A 465 -2.768 -0.456 4.759 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.579 1.754 3.553 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.752 1.416 4.987 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.710 1.749 6.356 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.078 3.935 5.287 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -3.224 3.603 4.004 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -4.969 3.273 5.912 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -3.791 4.054 6.948 1.00 1.81 H new ATOM 0 HE ARG A 465 -5.136 5.317 4.591 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -3.233 5.571 7.562 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -3.436 7.323 7.671 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -5.429 7.540 4.767 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.677 8.435 6.092 1.00 3.37 H new ATOM 73 N SER A 466 -0.134 0.828 6.376 1.00 0.80 N ATOM 74 CA SER A 466 1.067 0.999 7.178 1.00 0.87 C ATOM 75 C SER A 466 2.241 0.229 6.569 1.00 0.85 C ATOM 76 O SER A 466 3.404 0.556 6.821 1.00 1.03 O ATOM 77 CB SER A 466 0.817 0.543 8.619 1.00 0.96 C ATOM 78 OG SER A 466 1.880 0.929 9.479 1.00 1.63 O ATOM 0 H SER A 466 -0.769 0.104 6.712 1.00 0.80 H new ATOM 0 HA SER A 466 1.323 2.058 7.188 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.118 0.971 8.980 1.00 0.96 H new ATOM 0 HB3 SER A 466 0.702 -0.541 8.644 1.00 0.96 H new ATOM 0 HG SER A 466 1.690 0.625 10.391 1.00 1.63 H new ATOM 84 N ILE A 467 1.935 -0.789 5.764 1.00 0.78 N ATOM 85 CA ILE A 467 2.971 -1.569 5.096 1.00 0.91 C ATOM 86 C ILE A 467 3.772 -0.700 4.134 1.00 0.96 C ATOM 87 O ILE A 467 5.002 -0.677 4.191 1.00 1.18 O ATOM 88 CB ILE A 467 2.396 -2.799 4.349 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.902 -3.843 5.355 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.434 -3.413 3.413 1.00 1.24 C ATOM 91 CD1 ILE A 467 2.968 -4.318 6.321 1.00 1.59 C ATOM 0 H ILE A 467 0.982 -1.090 5.561 1.00 0.78 H new ATOM 0 HA ILE A 467 3.634 -1.940 5.878 1.00 0.91 H new ATOM 0 HB ILE A 467 1.555 -2.464 3.742 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.073 -3.422 5.923 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.511 -4.702 4.810 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.001 -4.274 2.904 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.742 -2.672 2.675 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.301 -3.732 3.991 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.541 -5.055 7.001 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.788 -4.771 5.764 1.00 1.59 H new ATOM 0 HD13 ILE A 467 3.343 -3.470 6.895 1.00 1.59 H new ATOM 103 N ILE A 468 3.097 0.043 3.263 1.00 0.87 N ATOM 104 CA ILE A 468 3.833 0.911 2.357 1.00 0.99 C ATOM 105 C ILE A 468 4.547 2.014 3.133 1.00 1.08 C ATOM 106 O ILE A 468 5.655 2.397 2.781 1.00 1.27 O ATOM 107 CB ILE A 468 2.981 1.492 1.192 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.660 2.124 1.653 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.698 0.405 0.171 1.00 1.34 C ATOM 110 CD1 ILE A 468 1.799 3.478 2.311 1.00 1.65 C ATOM 0 H ILE A 468 2.082 0.063 3.167 1.00 0.87 H new ATOM 0 HA ILE A 468 4.576 0.278 1.872 1.00 0.99 H new ATOM 0 HB ILE A 468 3.571 2.293 0.747 1.00 1.02 H new ATOM 0 HG12 ILE A 468 1.000 2.221 0.791 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.173 1.444 2.352 1.00 0.80 H new ATOM 0 HG21 ILE A 468 2.101 0.817 -0.643 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.639 0.025 -0.226 1.00 1.34 H new ATOM 0 HG23 ILE A 468 2.150 -0.408 0.647 1.00 1.34 H new ATOM 0 HD11 ILE A 468 0.814 3.844 2.602 1.00 1.65 H new ATOM 0 HD12 ILE A 468 2.430 3.390 3.196 1.00 1.65 H new ATOM 0 HD13 ILE A 468 2.253 4.178 1.610 1.00 1.65 H new ATOM 122 N LYS A 469 3.941 2.471 4.229 1.00 1.04 N ATOM 123 CA LYS A 469 4.561 3.492 5.069 1.00 1.27 C ATOM 124 C LYS A 469 5.894 3.002 5.621 1.00 1.47 C ATOM 125 O LYS A 469 6.856 3.769 5.708 1.00 1.68 O ATOM 126 CB LYS A 469 3.632 3.901 6.213 1.00 1.35 C ATOM 127 CG LYS A 469 2.375 4.607 5.737 1.00 1.75 C ATOM 128 CD LYS A 469 1.523 5.100 6.894 1.00 1.96 C ATOM 129 CE LYS A 469 2.254 6.149 7.715 1.00 2.66 C ATOM 130 NZ LYS A 469 1.391 6.722 8.781 1.00 2.97 N ATOM 0 H LYS A 469 3.028 2.152 4.553 1.00 1.04 H new ATOM 0 HA LYS A 469 4.744 4.368 4.447 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.350 3.013 6.779 1.00 1.35 H new ATOM 0 HB3 LYS A 469 4.173 4.556 6.896 1.00 1.35 H new ATOM 0 HG2 LYS A 469 2.651 5.451 5.105 1.00 1.75 H new ATOM 0 HG3 LYS A 469 1.789 3.926 5.120 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.593 5.520 6.510 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.253 4.259 7.533 1.00 1.96 H new ATOM 0 HE2 LYS A 469 3.140 5.703 8.167 1.00 2.66 H new ATOM 0 HE3 LYS A 469 2.598 6.948 7.059 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 1.928 7.433 9.317 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 0.558 7.170 8.349 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.083 5.964 9.423 1.00 2.97 H new ATOM 144 N SER A 470 5.950 1.727 5.979 1.00 1.46 N ATOM 145 CA SER A 470 7.187 1.125 6.452 1.00 1.71 C ATOM 146 C SER A 470 8.091 0.734 5.281 1.00 1.82 C ATOM 147 O SER A 470 9.294 0.529 5.459 1.00 2.10 O ATOM 148 CB SER A 470 6.884 -0.087 7.338 1.00 1.74 C ATOM 149 OG SER A 470 5.812 -0.854 6.815 1.00 2.10 O ATOM 0 H SER A 470 5.154 1.090 5.951 1.00 1.46 H new ATOM 0 HA SER A 470 7.721 1.864 7.050 1.00 1.71 H new ATOM 0 HB2 SER A 470 7.774 -0.711 7.420 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.636 0.249 8.345 1.00 1.74 H new ATOM 0 HG SER A 470 5.789 -0.762 5.840 1.00 2.10 H new ATOM 155 N SER A 471 7.516 0.649 4.081 1.00 1.68 N ATOM 156 CA SER A 471 8.291 0.333 2.889 1.00 1.90 C ATOM 157 C SER A 471 8.966 1.595 2.351 1.00 1.57 C ATOM 158 O SER A 471 8.364 2.381 1.620 1.00 1.83 O ATOM 159 CB SER A 471 7.393 -0.297 1.826 1.00 2.65 C ATOM 160 OG SER A 471 6.760 -1.462 2.332 1.00 3.40 O ATOM 0 H SER A 471 6.521 0.794 3.913 1.00 1.68 H new ATOM 0 HA SER A 471 9.066 -0.387 3.151 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.640 0.423 1.506 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.985 -0.551 0.947 1.00 2.65 H new ATOM 0 HG SER A 471 6.033 -1.203 2.936 1.00 3.40 H new ATOM 166 N ARG A 472 10.228 1.765 2.704 1.00 1.77 N ATOM 167 CA ARG A 472 10.951 2.997 2.427 1.00 1.99 C ATOM 168 C ARG A 472 11.857 2.864 1.206 1.00 1.90 C ATOM 169 O ARG A 472 13.022 3.267 1.231 1.00 2.38 O ATOM 170 CB ARG A 472 11.756 3.397 3.660 1.00 2.75 C ATOM 171 CG ARG A 472 10.892 3.934 4.789 1.00 3.26 C ATOM 172 CD ARG A 472 11.491 3.630 6.149 1.00 3.92 C ATOM 173 NE ARG A 472 11.342 2.218 6.507 1.00 4.22 N ATOM 174 CZ ARG A 472 11.883 1.661 7.588 1.00 4.90 C ATOM 175 NH1 ARG A 472 12.651 2.377 8.397 1.00 5.31 N ATOM 176 NH2 ARG A 472 11.663 0.382 7.858 1.00 5.50 N ATOM 0 H ARG A 472 10.780 1.057 3.189 1.00 1.77 H new ATOM 0 HA ARG A 472 10.226 3.777 2.196 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.314 2.532 4.018 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.487 4.155 3.379 1.00 2.75 H new ATOM 0 HG2 ARG A 472 10.775 5.012 4.676 1.00 3.26 H new ATOM 0 HG3 ARG A 472 9.896 3.496 4.724 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.548 3.895 6.148 1.00 3.92 H new ATOM 0 HD3 ARG A 472 11.008 4.249 6.905 1.00 3.92 H new ATOM 0 HE ARG A 472 10.789 1.624 5.889 1.00 4.22 H new ATOM 0 HH11 ARG A 472 12.830 3.360 8.193 1.00 5.31 H new ATOM 0 HH12 ARG A 472 13.063 1.945 9.224 1.00 5.31 H new ATOM 0 HH21 ARG A 472 11.078 -0.177 7.237 1.00 5.50 H new ATOM 0 HH22 ARG A 472 12.079 -0.043 8.687 1.00 5.50 H new ATOM 190 N LEU A 473 11.320 2.292 0.141 1.00 1.57 N ATOM 191 CA LEU A 473 12.028 2.254 -1.130 1.00 1.68 C ATOM 192 C LEU A 473 11.662 3.480 -1.954 1.00 1.46 C ATOM 193 O LEU A 473 12.529 4.232 -2.397 1.00 2.00 O ATOM 194 CB LEU A 473 11.741 0.959 -1.917 1.00 2.11 C ATOM 195 CG LEU A 473 10.268 0.550 -2.075 1.00 1.80 C ATOM 196 CD1 LEU A 473 10.094 -0.311 -3.314 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.786 -0.205 -0.844 1.00 2.17 C ATOM 0 H LEU A 473 10.401 1.849 0.130 1.00 1.57 H new ATOM 0 HA LEU A 473 13.098 2.263 -0.921 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.172 1.065 -2.913 1.00 2.11 H new ATOM 0 HB3 LEU A 473 12.269 0.141 -1.427 1.00 2.11 H new ATOM 0 HG LEU A 473 9.669 1.454 -2.184 1.00 1.80 H new ATOM 0 HD11 LEU A 473 9.047 -0.595 -3.416 1.00 2.32 H new ATOM 0 HD12 LEU A 473 10.405 0.251 -4.194 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.706 -1.208 -3.222 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.741 -0.486 -0.975 1.00 2.17 H new ATOM 0 HD22 LEU A 473 10.389 -1.103 -0.709 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.883 0.433 0.035 1.00 2.17 H new ATOM 209 N GLU A 474 10.372 3.686 -2.130 1.00 1.28 N ATOM 210 CA GLU A 474 9.856 4.838 -2.829 1.00 1.36 C ATOM 211 C GLU A 474 8.722 5.460 -2.020 1.00 1.06 C ATOM 212 O GLU A 474 7.564 5.063 -2.134 1.00 1.14 O ATOM 213 CB GLU A 474 9.408 4.422 -4.226 1.00 1.92 C ATOM 214 CG GLU A 474 8.742 3.053 -4.281 1.00 2.48 C ATOM 215 CD GLU A 474 8.663 2.508 -5.690 1.00 3.00 C ATOM 216 OE1 GLU A 474 9.720 2.282 -6.308 1.00 3.47 O ATOM 217 OE2 GLU A 474 7.534 2.314 -6.190 1.00 3.36 O ATOM 0 H GLU A 474 9.650 3.052 -1.788 1.00 1.28 H new ATOM 0 HA GLU A 474 10.632 5.595 -2.942 1.00 1.36 H new ATOM 0 HB2 GLU A 474 8.713 5.168 -4.611 1.00 1.92 H new ATOM 0 HB3 GLU A 474 10.273 4.421 -4.889 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.298 2.356 -3.655 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.737 3.123 -3.864 1.00 2.48 H new ATOM 224 N GLU A 475 9.073 6.425 -1.182 1.00 0.94 N ATOM 225 CA GLU A 475 8.133 6.970 -0.212 1.00 0.84 C ATOM 226 C GLU A 475 7.080 7.860 -0.855 1.00 0.73 C ATOM 227 O GLU A 475 5.965 7.965 -0.346 1.00 0.73 O ATOM 228 CB GLU A 475 8.867 7.716 0.895 1.00 1.20 C ATOM 229 CG GLU A 475 9.745 6.806 1.732 1.00 1.66 C ATOM 230 CD GLU A 475 10.191 7.458 3.015 1.00 2.13 C ATOM 231 OE1 GLU A 475 11.238 8.131 3.013 1.00 2.79 O ATOM 232 OE2 GLU A 475 9.489 7.305 4.037 1.00 2.49 O ATOM 0 H GLU A 475 10.001 6.847 -1.154 1.00 0.94 H new ATOM 0 HA GLU A 475 7.606 6.122 0.226 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.481 8.501 0.453 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.139 8.207 1.541 1.00 1.20 H new ATOM 0 HG2 GLU A 475 9.199 5.891 1.963 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.621 6.516 1.151 1.00 1.66 H new ATOM 239 N ASP A 476 7.410 8.504 -1.966 1.00 0.88 N ATOM 240 CA ASP A 476 6.393 9.237 -2.707 1.00 0.98 C ATOM 241 C ASP A 476 5.351 8.261 -3.222 1.00 0.85 C ATOM 242 O ASP A 476 4.165 8.560 -3.230 1.00 0.84 O ATOM 243 CB ASP A 476 6.973 10.029 -3.877 1.00 1.36 C ATOM 244 CG ASP A 476 7.528 9.142 -4.974 1.00 2.00 C ATOM 245 OD1 ASP A 476 8.696 8.709 -4.869 1.00 2.43 O ATOM 246 OD2 ASP A 476 6.793 8.865 -5.941 1.00 2.63 O ATOM 0 H ASP A 476 8.348 8.535 -2.366 1.00 0.88 H new ATOM 0 HA ASP A 476 5.944 9.957 -2.023 1.00 0.98 H new ATOM 0 HB2 ASP A 476 6.197 10.671 -4.294 1.00 1.36 H new ATOM 0 HB3 ASP A 476 7.765 10.682 -3.510 1.00 1.36 H new ATOM 251 N ARG A 477 5.810 7.088 -3.647 1.00 0.89 N ATOM 252 CA ARG A 477 4.917 6.025 -4.072 1.00 0.96 C ATOM 253 C ARG A 477 4.034 5.559 -2.928 1.00 0.80 C ATOM 254 O ARG A 477 2.864 5.292 -3.131 1.00 0.85 O ATOM 255 CB ARG A 477 5.711 4.839 -4.600 1.00 1.23 C ATOM 256 CG ARG A 477 5.348 4.436 -6.014 1.00 1.57 C ATOM 257 CD ARG A 477 5.613 5.563 -6.999 1.00 1.89 C ATOM 258 NE ARG A 477 6.859 6.275 -6.705 1.00 1.95 N ATOM 259 CZ ARG A 477 8.035 5.999 -7.266 1.00 2.54 C ATOM 260 NH1 ARG A 477 8.153 4.990 -8.120 1.00 2.96 N ATOM 261 NH2 ARG A 477 9.097 6.731 -6.956 1.00 2.98 N ATOM 0 H ARG A 477 6.801 6.853 -3.705 1.00 0.89 H new ATOM 0 HA ARG A 477 4.287 6.427 -4.865 1.00 0.96 H new ATOM 0 HB2 ARG A 477 6.773 5.081 -4.563 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.555 3.987 -3.939 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.924 3.556 -6.302 1.00 1.57 H new ATOM 0 HG3 ARG A 477 4.296 4.155 -6.055 1.00 1.57 H new ATOM 0 HD2 ARG A 477 5.659 5.157 -8.009 1.00 1.89 H new ATOM 0 HD3 ARG A 477 4.781 6.266 -6.976 1.00 1.89 H new ATOM 0 HE ARG A 477 6.824 7.034 -6.024 1.00 1.95 H new ATOM 0 HH11 ARG A 477 7.340 4.420 -8.351 1.00 2.96 H new ATOM 0 HH12 ARG A 477 9.057 4.785 -8.545 1.00 2.96 H new ATOM 0 HH21 ARG A 477 9.010 7.500 -6.292 1.00 2.98 H new ATOM 0 HH22 ARG A 477 10.001 6.525 -7.382 1.00 2.98 H new ATOM 275 N LYS A 478 4.599 5.448 -1.730 1.00 0.77 N ATOM 276 CA LYS A 478 3.832 5.003 -0.578 1.00 0.90 C ATOM 277 C LYS A 478 2.760 6.035 -0.229 1.00 0.74 C ATOM 278 O LYS A 478 1.629 5.683 0.093 1.00 0.80 O ATOM 279 CB LYS A 478 4.757 4.725 0.625 1.00 1.21 C ATOM 280 CG LYS A 478 4.970 5.902 1.570 1.00 1.27 C ATOM 281 CD LYS A 478 5.996 5.581 2.646 1.00 1.66 C ATOM 282 CE LYS A 478 6.078 6.684 3.691 1.00 1.97 C ATOM 283 NZ LYS A 478 7.090 6.385 4.740 1.00 2.30 N ATOM 0 H LYS A 478 5.578 5.659 -1.535 1.00 0.77 H new ATOM 0 HA LYS A 478 3.334 4.067 -0.830 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.344 3.893 1.195 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.728 4.402 0.249 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.300 6.771 1.000 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.023 6.169 2.038 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.734 4.640 3.130 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.974 5.442 2.186 1.00 1.66 H new ATOM 0 HE2 LYS A 478 6.328 7.627 3.204 1.00 1.97 H new ATOM 0 HE3 LYS A 478 5.101 6.815 4.157 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.020 7.090 5.501 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.916 5.436 5.130 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.042 6.419 4.323 1.00 2.30 H new ATOM 297 N ARG A 479 3.116 7.310 -0.325 1.00 0.71 N ATOM 298 CA ARG A 479 2.174 8.393 -0.069 1.00 0.86 C ATOM 299 C ARG A 479 1.151 8.495 -1.197 1.00 0.80 C ATOM 300 O ARG A 479 -0.042 8.688 -0.954 1.00 0.90 O ATOM 301 CB ARG A 479 2.918 9.721 0.091 1.00 1.09 C ATOM 302 CG ARG A 479 2.803 10.326 1.482 1.00 1.22 C ATOM 303 CD ARG A 479 1.364 10.690 1.820 1.00 1.88 C ATOM 304 NE ARG A 479 1.263 11.387 3.100 1.00 2.47 N ATOM 305 CZ ARG A 479 0.123 11.565 3.769 1.00 3.27 C ATOM 306 NH1 ARG A 479 -1.029 11.150 3.256 1.00 3.65 N ATOM 307 NH2 ARG A 479 0.133 12.191 4.937 1.00 4.14 N ATOM 0 H ARG A 479 4.054 7.620 -0.579 1.00 0.71 H new ATOM 0 HA ARG A 479 1.645 8.174 0.859 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.972 9.567 -0.142 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.531 10.433 -0.638 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.182 9.618 2.219 1.00 1.22 H new ATOM 0 HG3 ARG A 479 3.428 11.217 1.544 1.00 1.22 H new ATOM 0 HD2 ARG A 479 0.954 11.320 1.031 1.00 1.88 H new ATOM 0 HD3 ARG A 479 0.759 9.784 1.851 1.00 1.88 H new ATOM 0 HE ARG A 479 2.119 11.762 3.508 1.00 2.47 H new ATOM 0 HH11 ARG A 479 -1.046 10.692 2.345 1.00 3.65 H new ATOM 0 HH12 ARG A 479 -1.897 11.289 3.773 1.00 3.65 H new ATOM 0 HH21 ARG A 479 1.012 12.536 5.323 1.00 4.14 H new ATOM 0 HH22 ARG A 479 -0.738 12.328 5.450 1.00 4.14 H new ATOM 321 N TYR A 480 1.625 8.357 -2.428 1.00 0.83 N ATOM 322 CA TYR A 480 0.756 8.387 -3.596 1.00 1.03 C ATOM 323 C TYR A 480 -0.218 7.213 -3.553 1.00 0.82 C ATOM 324 O TYR A 480 -1.431 7.376 -3.719 1.00 0.82 O ATOM 325 CB TYR A 480 1.583 8.340 -4.886 1.00 1.44 C ATOM 326 CG TYR A 480 0.743 8.303 -6.142 1.00 1.81 C ATOM 327 CD1 TYR A 480 -0.112 9.352 -6.459 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.817 7.230 -7.018 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.871 9.328 -7.611 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.061 7.199 -8.171 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.822 8.219 -8.434 1.00 2.55 C ATOM 332 OH TYR A 480 -1.527 8.224 -9.616 1.00 2.93 O ATOM 0 H TYR A 480 2.613 8.222 -2.644 1.00 0.83 H new ATOM 0 HA TYR A 480 0.191 9.319 -3.583 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.236 9.212 -4.921 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.227 7.461 -4.863 1.00 1.44 H new ATOM 0 HD1 TYR A 480 -0.183 10.199 -5.793 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.477 6.405 -6.793 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.498 10.169 -7.867 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.162 6.377 -8.864 1.00 2.36 H new ATOM 0 HH TYR A 480 -1.390 7.373 -10.082 1.00 2.93 H new ATOM 342 N LEU A 481 0.325 6.029 -3.304 1.00 0.91 N ATOM 343 CA LEU A 481 -0.475 4.820 -3.211 1.00 1.15 C ATOM 344 C LEU A 481 -1.443 4.925 -2.052 1.00 1.03 C ATOM 345 O LEU A 481 -2.557 4.457 -2.145 1.00 1.19 O ATOM 346 CB LEU A 481 0.410 3.582 -3.037 1.00 1.66 C ATOM 347 CG LEU A 481 -0.326 2.241 -3.113 1.00 2.09 C ATOM 348 CD1 LEU A 481 -0.996 2.067 -4.468 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.635 1.090 -2.843 1.00 2.73 C ATOM 0 H LEU A 481 1.324 5.882 -3.162 1.00 0.91 H new ATOM 0 HA LEU A 481 -1.033 4.713 -4.141 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.185 3.598 -3.804 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.914 3.648 -2.073 1.00 1.66 H new ATOM 0 HG LEU A 481 -1.101 2.234 -2.346 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -1.512 1.107 -4.498 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -1.715 2.871 -4.624 1.00 2.68 H new ATOM 0 HD13 LEU A 481 -0.241 2.098 -5.254 1.00 2.68 H new ATOM 0 HD21 LEU A 481 0.096 0.145 -2.901 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.432 1.099 -3.587 1.00 2.73 H new ATOM 0 HD23 LEU A 481 1.066 1.202 -1.848 1.00 2.73 H new ATOM 361 N MET A 482 -1.013 5.549 -0.964 1.00 1.05 N ATOM 362 CA MET A 482 -1.892 5.805 0.175 1.00 1.49 C ATOM 363 C MET A 482 -3.069 6.661 -0.261 1.00 1.39 C ATOM 364 O MET A 482 -4.200 6.434 0.159 1.00 1.65 O ATOM 365 CB MET A 482 -1.126 6.516 1.292 1.00 2.05 C ATOM 366 CG MET A 482 -1.932 6.706 2.567 1.00 3.10 C ATOM 367 SD MET A 482 -1.117 7.804 3.744 1.00 4.00 S ATOM 368 CE MET A 482 0.491 7.032 3.868 1.00 4.93 C ATOM 0 H MET A 482 -0.059 5.889 -0.843 1.00 1.05 H new ATOM 0 HA MET A 482 -2.259 4.850 0.551 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.227 5.944 1.524 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.799 7.491 0.931 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.912 7.111 2.316 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.098 5.736 3.035 1.00 3.10 H new ATOM 0 HE1 MET A 482 1.015 7.422 4.740 1.00 4.93 H new ATOM 0 HE2 MET A 482 0.370 5.953 3.969 1.00 4.93 H new ATOM 0 HE3 MET A 482 1.069 7.249 2.970 1.00 4.93 H new ATOM 378 N THR A 483 -2.792 7.629 -1.122 1.00 1.25 N ATOM 379 CA THR A 483 -3.826 8.497 -1.655 1.00 1.59 C ATOM 380 C THR A 483 -4.806 7.688 -2.502 1.00 1.32 C ATOM 381 O THR A 483 -6.003 7.973 -2.547 1.00 1.59 O ATOM 382 CB THR A 483 -3.211 9.628 -2.503 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.112 10.228 -1.796 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.246 10.695 -2.823 1.00 2.46 C ATOM 0 H THR A 483 -1.854 7.832 -1.467 1.00 1.25 H new ATOM 0 HA THR A 483 -4.360 8.945 -0.817 1.00 1.59 H new ATOM 0 HB THR A 483 -2.856 9.195 -3.438 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.387 9.575 -1.705 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.785 11.481 -3.422 1.00 2.46 H new ATOM 0 HG22 THR A 483 -5.069 10.248 -3.381 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.627 11.122 -1.895 1.00 2.46 H new ATOM 392 N LEU A 484 -4.280 6.673 -3.170 1.00 0.92 N ATOM 393 CA LEU A 484 -5.105 5.767 -3.958 1.00 0.90 C ATOM 394 C LEU A 484 -5.860 4.789 -3.053 1.00 0.84 C ATOM 395 O LEU A 484 -7.071 4.634 -3.174 1.00 0.91 O ATOM 396 CB LEU A 484 -4.238 4.987 -4.952 1.00 1.15 C ATOM 397 CG LEU A 484 -3.414 5.845 -5.917 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.565 4.960 -6.817 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.322 6.737 -6.750 1.00 2.20 C ATOM 0 H LEU A 484 -3.284 6.455 -3.183 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.832 6.365 -4.508 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.558 4.346 -4.391 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.884 4.332 -5.536 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.752 6.483 -5.332 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.985 5.583 -7.498 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.888 4.362 -6.206 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.213 4.299 -7.393 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.718 7.339 -7.429 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.010 6.119 -7.327 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.890 7.394 -6.092 1.00 2.20 H new ATOM 411 N LEU A 485 -5.130 4.155 -2.142 1.00 1.02 N ATOM 412 CA LEU A 485 -5.673 3.129 -1.253 1.00 1.47 C ATOM 413 C LEU A 485 -6.777 3.688 -0.383 1.00 1.75 C ATOM 414 O LEU A 485 -7.804 3.043 -0.182 1.00 1.92 O ATOM 415 CB LEU A 485 -4.579 2.563 -0.351 1.00 1.90 C ATOM 416 CG LEU A 485 -3.416 1.879 -1.064 1.00 2.48 C ATOM 417 CD1 LEU A 485 -2.287 1.612 -0.086 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.872 0.583 -1.716 1.00 3.10 C ATOM 0 H LEU A 485 -4.137 4.338 -1.997 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.078 2.337 -1.884 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -4.180 3.375 0.257 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -5.033 1.846 0.333 1.00 1.90 H new ATOM 0 HG LEU A 485 -3.052 2.544 -1.847 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -1.463 1.124 -0.606 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -1.941 2.555 0.337 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.645 0.965 0.715 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -3.027 0.112 -2.219 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -4.262 -0.091 -0.953 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -4.654 0.798 -2.444 1.00 3.10 H new ATOM 430 N ASP A 486 -6.558 4.892 0.128 1.00 1.95 N ATOM 431 CA ASP A 486 -7.538 5.550 0.986 1.00 2.47 C ATOM 432 C ASP A 486 -8.835 5.819 0.222 1.00 2.33 C ATOM 433 O ASP A 486 -9.853 6.178 0.806 1.00 2.75 O ATOM 434 CB ASP A 486 -6.966 6.856 1.545 1.00 2.90 C ATOM 435 CG ASP A 486 -7.488 7.168 2.934 1.00 3.47 C ATOM 436 OD1 ASP A 486 -6.973 6.583 3.911 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.425 7.979 3.062 1.00 3.86 O ATOM 0 H ASP A 486 -5.710 5.435 -0.036 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.765 4.884 1.819 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.878 6.790 1.575 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -7.217 7.676 0.873 1.00 2.90 H new ATOM 442 N ASP A 487 -8.788 5.625 -1.091 1.00 1.85 N ATOM 443 CA ASP A 487 -9.958 5.798 -1.937 1.00 1.83 C ATOM 444 C ASP A 487 -10.292 4.496 -2.678 1.00 1.35 C ATOM 445 O ASP A 487 -11.301 4.414 -3.371 1.00 1.40 O ATOM 446 CB ASP A 487 -9.713 6.936 -2.937 1.00 2.05 C ATOM 447 CG ASP A 487 -10.956 7.331 -3.716 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.805 8.069 -3.163 1.00 2.77 O ATOM 449 OD2 ASP A 487 -11.080 6.938 -4.892 1.00 2.59 O ATOM 0 H ASP A 487 -7.945 5.346 -1.593 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.809 6.055 -1.307 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.337 7.807 -2.400 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.935 6.633 -3.638 1.00 2.05 H new ATOM 454 N ILE A 488 -9.443 3.468 -2.519 1.00 1.14 N ATOM 455 CA ILE A 488 -9.658 2.186 -3.201 1.00 1.13 C ATOM 456 C ILE A 488 -11.020 1.594 -2.844 1.00 1.43 C ATOM 457 O ILE A 488 -11.796 1.232 -3.734 1.00 2.27 O ATOM 458 CB ILE A 488 -8.553 1.132 -2.892 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.230 1.475 -3.587 1.00 1.21 C ATOM 460 CG2 ILE A 488 -9.000 -0.264 -3.307 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.371 1.767 -5.067 1.00 1.67 C ATOM 0 H ILE A 488 -8.611 3.500 -1.930 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.615 2.413 -4.266 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.390 1.151 -1.814 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.787 2.342 -3.096 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.536 0.645 -3.455 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.211 -0.981 -3.081 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.904 -0.534 -2.760 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.206 -0.277 -4.377 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.393 2.001 -5.487 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.783 0.894 -5.572 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.039 2.617 -5.208 1.00 1.67 H new ATOM 473 N LYS A 489 -11.291 1.506 -1.537 1.00 1.42 N ATOM 474 CA LYS A 489 -12.546 0.961 -1.002 1.00 1.75 C ATOM 475 C LYS A 489 -12.628 -0.561 -1.169 1.00 1.29 C ATOM 476 O LYS A 489 -13.055 -1.266 -0.254 1.00 1.88 O ATOM 477 CB LYS A 489 -13.759 1.644 -1.648 1.00 2.46 C ATOM 478 CG LYS A 489 -15.099 1.123 -1.153 1.00 3.04 C ATOM 479 CD LYS A 489 -15.252 1.294 0.350 1.00 3.88 C ATOM 480 CE LYS A 489 -16.557 0.696 0.851 1.00 4.70 C ATOM 481 NZ LYS A 489 -17.744 1.415 0.320 1.00 5.28 N ATOM 0 H LYS A 489 -10.641 1.813 -0.814 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.558 1.172 0.067 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.704 2.716 -1.456 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -13.706 1.510 -2.728 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -15.905 1.651 -1.663 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -15.196 0.068 -1.410 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.414 0.817 0.858 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -15.216 2.354 0.602 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -16.609 -0.353 0.560 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -16.574 0.726 1.940 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -18.604 1.051 0.778 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -17.651 2.432 0.517 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -17.810 1.266 -0.707 1.00 5.28 H new ATOM 495 N GLY A 490 -12.234 -1.055 -2.337 1.00 0.91 N ATOM 496 CA GLY A 490 -12.203 -2.486 -2.581 1.00 0.96 C ATOM 497 C GLY A 490 -11.284 -3.210 -1.615 1.00 0.67 C ATOM 498 O GLY A 490 -10.060 -3.127 -1.732 1.00 0.69 O ATOM 0 H GLY A 490 -11.933 -0.484 -3.127 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.211 -2.890 -2.493 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.873 -2.672 -3.603 1.00 0.96 H new ATOM 502 N ALA A 491 -11.879 -3.923 -0.667 1.00 0.70 N ATOM 503 CA ALA A 491 -11.133 -4.574 0.400 1.00 0.84 C ATOM 504 C ALA A 491 -10.150 -5.608 -0.143 1.00 0.71 C ATOM 505 O ALA A 491 -9.011 -5.697 0.323 1.00 0.69 O ATOM 506 CB ALA A 491 -12.095 -5.219 1.383 1.00 1.22 C ATOM 0 H ALA A 491 -12.888 -4.065 -0.617 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.548 -3.811 0.914 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.531 -5.705 2.179 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.744 -4.455 1.812 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.702 -5.961 0.864 1.00 1.22 H new ATOM 512 N ASN A 492 -10.592 -6.382 -1.127 1.00 0.73 N ATOM 513 CA ASN A 492 -9.753 -7.417 -1.726 1.00 0.78 C ATOM 514 C ASN A 492 -8.587 -6.797 -2.493 1.00 0.65 C ATOM 515 O ASN A 492 -7.483 -7.339 -2.512 1.00 0.67 O ATOM 516 CB ASN A 492 -10.587 -8.309 -2.655 1.00 1.00 C ATOM 517 CG ASN A 492 -9.778 -9.427 -3.291 1.00 1.61 C ATOM 518 OD1 ASN A 492 -8.811 -9.924 -2.716 1.00 2.38 O ATOM 519 ND2 ASN A 492 -10.174 -9.838 -4.487 1.00 2.19 N ATOM 0 H ASN A 492 -11.527 -6.314 -1.528 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.345 -8.031 -0.923 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.412 -8.742 -2.089 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.027 -7.695 -3.440 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.672 -10.590 -4.960 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.981 -9.403 -4.935 1.00 2.19 H new ATOM 526 N ASP A 493 -8.829 -5.645 -3.106 1.00 0.63 N ATOM 527 CA ASP A 493 -7.780 -4.942 -3.834 1.00 0.69 C ATOM 528 C ASP A 493 -6.687 -4.496 -2.877 1.00 0.62 C ATOM 529 O ASP A 493 -5.500 -4.627 -3.169 1.00 0.66 O ATOM 530 CB ASP A 493 -8.338 -3.738 -4.591 1.00 0.86 C ATOM 531 CG ASP A 493 -9.198 -4.147 -5.764 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.660 -4.753 -6.714 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.417 -3.887 -5.738 1.00 1.97 O ATOM 0 H ASP A 493 -9.737 -5.180 -3.114 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.359 -5.633 -4.564 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.926 -3.123 -3.909 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.513 -3.120 -4.946 1.00 0.86 H new ATOM 538 N LEU A 494 -7.100 -3.988 -1.729 1.00 0.61 N ATOM 539 CA LEU A 494 -6.170 -3.607 -0.676 1.00 0.69 C ATOM 540 C LEU A 494 -5.339 -4.815 -0.250 1.00 0.57 C ATOM 541 O LEU A 494 -4.117 -4.733 -0.104 1.00 0.56 O ATOM 542 CB LEU A 494 -6.955 -3.063 0.517 1.00 0.91 C ATOM 543 CG LEU A 494 -7.861 -1.873 0.204 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.905 -1.706 1.295 1.00 1.74 C ATOM 545 CD2 LEU A 494 -7.036 -0.603 0.056 1.00 1.77 C ATOM 0 H LEU A 494 -8.081 -3.828 -1.500 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.496 -2.835 -1.048 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.565 -3.867 0.929 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.249 -2.769 1.294 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.373 -2.062 -0.740 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -9.544 -0.855 1.060 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.512 -2.609 1.359 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -8.409 -1.534 2.250 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.696 0.236 -0.167 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -6.501 -0.407 0.985 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.320 -0.727 -0.756 1.00 1.77 H new ATOM 557 N ALA A 495 -6.018 -5.944 -0.083 1.00 0.56 N ATOM 558 CA ALA A 495 -5.376 -7.178 0.341 1.00 0.59 C ATOM 559 C ALA A 495 -4.316 -7.631 -0.659 1.00 0.55 C ATOM 560 O ALA A 495 -3.228 -8.064 -0.268 1.00 0.58 O ATOM 561 CB ALA A 495 -6.418 -8.269 0.538 1.00 0.68 C ATOM 0 H ALA A 495 -7.023 -6.028 -0.237 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.875 -6.986 1.290 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.926 -9.189 0.855 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -7.132 -7.957 1.301 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.944 -8.444 -0.401 1.00 0.68 H new ATOM 567 N LYS A 496 -4.622 -7.524 -1.948 1.00 0.59 N ATOM 568 CA LYS A 496 -3.680 -7.960 -2.971 1.00 0.68 C ATOM 569 C LYS A 496 -2.566 -6.936 -3.179 1.00 0.63 C ATOM 570 O LYS A 496 -1.470 -7.301 -3.584 1.00 0.65 O ATOM 571 CB LYS A 496 -4.389 -8.306 -4.293 1.00 0.85 C ATOM 572 CG LYS A 496 -5.217 -7.188 -4.919 1.00 1.29 C ATOM 573 CD LYS A 496 -4.357 -6.157 -5.630 1.00 1.77 C ATOM 574 CE LYS A 496 -5.204 -5.212 -6.466 1.00 2.53 C ATOM 575 NZ LYS A 496 -5.939 -5.931 -7.539 1.00 2.98 N ATOM 0 H LYS A 496 -5.500 -7.146 -2.304 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.215 -8.877 -2.610 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -3.636 -8.621 -5.015 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.042 -9.161 -4.119 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -5.925 -7.617 -5.628 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.803 -6.695 -4.143 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -3.789 -5.586 -4.896 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.634 -6.663 -6.270 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -5.915 -4.695 -5.822 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -4.565 -4.449 -6.911 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -5.786 -5.449 -8.448 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -5.591 -6.909 -7.603 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -6.955 -5.939 -7.319 1.00 2.98 H new ATOM 589 N PHE A 497 -2.839 -5.658 -2.900 1.00 0.64 N ATOM 590 CA PHE A 497 -1.788 -4.639 -2.923 1.00 0.70 C ATOM 591 C PHE A 497 -0.829 -4.877 -1.762 1.00 0.62 C ATOM 592 O PHE A 497 0.375 -4.605 -1.849 1.00 0.67 O ATOM 593 CB PHE A 497 -2.374 -3.217 -2.852 1.00 0.84 C ATOM 594 CG PHE A 497 -2.914 -2.713 -4.162 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.164 -2.814 -5.324 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.176 -2.143 -4.233 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.661 -2.355 -6.529 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.677 -1.682 -5.435 1.00 1.72 C ATOM 599 CZ PHE A 497 -3.907 -1.772 -6.583 1.00 1.82 C ATOM 0 H PHE A 497 -3.766 -5.308 -2.659 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.250 -4.721 -3.867 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.173 -3.201 -2.111 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.601 -2.533 -2.502 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.180 -3.257 -5.287 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.774 -2.058 -3.338 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -2.072 -2.454 -7.429 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.667 -1.252 -5.480 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.283 -1.386 -7.519 1.00 1.82 H new ATOM 609 N HIS A 498 -1.377 -5.434 -0.692 1.00 0.57 N ATOM 610 CA HIS A 498 -0.605 -5.766 0.493 1.00 0.62 C ATOM 611 C HIS A 498 0.339 -6.899 0.176 1.00 0.54 C ATOM 612 O HIS A 498 1.552 -6.752 0.294 1.00 0.56 O ATOM 613 CB HIS A 498 -1.530 -6.148 1.657 1.00 0.75 C ATOM 614 CG HIS A 498 -0.816 -6.712 2.851 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.140 -7.927 3.409 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.212 -6.228 3.584 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.345 -8.165 4.432 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.488 -7.154 4.561 1.00 1.69 N ATOM 0 H HIS A 498 -2.367 -5.668 -0.622 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.029 -4.892 0.796 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.090 -5.265 1.966 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.257 -6.879 1.304 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.721 -5.288 3.430 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.372 -9.043 5.060 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.218 -7.072 5.269 1.00 1.69 H new ATOM 627 N GLN A 499 -0.230 -8.018 -0.246 1.00 0.54 N ATOM 628 CA GLN A 499 0.555 -9.173 -0.638 1.00 0.60 C ATOM 629 C GLN A 499 1.518 -8.786 -1.746 1.00 0.53 C ATOM 630 O GLN A 499 2.646 -9.271 -1.796 1.00 0.54 O ATOM 631 CB GLN A 499 -0.363 -10.304 -1.102 1.00 0.77 C ATOM 632 CG GLN A 499 0.380 -11.555 -1.536 1.00 1.43 C ATOM 633 CD GLN A 499 -0.556 -12.701 -1.858 1.00 2.00 C ATOM 634 OE1 GLN A 499 -1.009 -12.848 -2.992 1.00 2.63 O ATOM 635 NE2 GLN A 499 -0.849 -13.520 -0.862 1.00 2.58 N ATOM 0 H GLN A 499 -1.239 -8.148 -0.325 1.00 0.54 H new ATOM 0 HA GLN A 499 1.126 -9.524 0.221 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.046 -10.561 -0.292 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.972 -9.948 -1.933 1.00 0.77 H new ATOM 0 HG2 GLN A 499 0.987 -11.328 -2.413 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.065 -11.860 -0.745 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.451 -13.361 0.063 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -1.473 -14.311 -1.019 1.00 2.58 H new ATOM 644 N MET A 500 1.068 -7.875 -2.603 1.00 0.54 N ATOM 645 CA MET A 500 1.855 -7.421 -3.734 1.00 0.63 C ATOM 646 C MET A 500 3.237 -6.952 -3.295 1.00 0.57 C ATOM 647 O MET A 500 4.248 -7.595 -3.587 1.00 0.58 O ATOM 648 CB MET A 500 1.147 -6.284 -4.477 1.00 0.80 C ATOM 649 CG MET A 500 1.861 -5.853 -5.747 1.00 1.26 C ATOM 650 SD MET A 500 1.846 -7.127 -7.024 1.00 1.91 S ATOM 651 CE MET A 500 0.091 -7.222 -7.374 1.00 2.52 C ATOM 0 H MET A 500 0.151 -7.435 -2.530 1.00 0.54 H new ATOM 0 HA MET A 500 1.968 -8.272 -4.406 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.134 -6.600 -4.728 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.057 -5.426 -3.811 1.00 0.80 H new ATOM 0 HG2 MET A 500 1.389 -4.950 -6.135 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.893 -5.596 -5.509 1.00 1.26 H new ATOM 0 HE1 MET A 500 -0.060 -7.662 -8.360 1.00 2.52 H new ATOM 0 HE2 MET A 500 -0.397 -7.841 -6.622 1.00 2.52 H new ATOM 0 HE3 MET A 500 -0.339 -6.220 -7.354 1.00 2.52 H new ATOM 661 N LEU A 501 3.286 -5.843 -2.565 1.00 0.59 N ATOM 662 CA LEU A 501 4.570 -5.247 -2.234 1.00 0.65 C ATOM 663 C LEU A 501 5.208 -5.902 -1.015 1.00 0.56 C ATOM 664 O LEU A 501 6.413 -5.786 -0.813 1.00 0.62 O ATOM 665 CB LEU A 501 4.458 -3.742 -2.021 1.00 0.85 C ATOM 666 CG LEU A 501 3.750 -2.973 -3.141 1.00 1.30 C ATOM 667 CD1 LEU A 501 3.667 -1.495 -2.801 1.00 2.09 C ATOM 668 CD2 LEU A 501 4.464 -3.169 -4.470 1.00 1.91 C ATOM 0 H LEU A 501 2.471 -5.350 -2.200 1.00 0.59 H new ATOM 0 HA LEU A 501 5.218 -5.425 -3.092 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.926 -3.563 -1.087 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.461 -3.333 -1.900 1.00 0.85 H new ATOM 0 HG LEU A 501 2.738 -3.368 -3.235 1.00 1.30 H new ATOM 0 HD11 LEU A 501 3.161 -0.964 -3.607 1.00 2.09 H new ATOM 0 HD12 LEU A 501 3.108 -1.366 -1.874 1.00 2.09 H new ATOM 0 HD13 LEU A 501 4.673 -1.093 -2.677 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.942 -2.613 -5.249 1.00 1.91 H new ATOM 0 HD22 LEU A 501 5.489 -2.806 -4.390 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.474 -4.229 -4.725 1.00 1.91 H new ATOM 680 N VAL A 502 4.427 -6.598 -0.200 1.00 0.53 N ATOM 681 CA VAL A 502 5.014 -7.303 0.929 1.00 0.64 C ATOM 682 C VAL A 502 5.760 -8.536 0.427 1.00 0.61 C ATOM 683 O VAL A 502 6.713 -9.002 1.049 1.00 0.73 O ATOM 684 CB VAL A 502 3.971 -7.701 2.003 1.00 0.86 C ATOM 685 CG1 VAL A 502 3.186 -8.940 1.604 1.00 1.11 C ATOM 686 CG2 VAL A 502 4.652 -7.907 3.346 1.00 1.02 C ATOM 0 H VAL A 502 3.415 -6.689 -0.294 1.00 0.53 H new ATOM 0 HA VAL A 502 5.708 -6.618 1.415 1.00 0.64 H new ATOM 0 HB VAL A 502 3.257 -6.882 2.088 1.00 0.86 H new ATOM 0 HG11 VAL A 502 2.467 -9.182 2.386 1.00 1.11 H new ATOM 0 HG12 VAL A 502 2.657 -8.750 0.670 1.00 1.11 H new ATOM 0 HG13 VAL A 502 3.871 -9.777 1.469 1.00 1.11 H new ATOM 0 HG21 VAL A 502 3.908 -8.186 4.092 1.00 1.02 H new ATOM 0 HG22 VAL A 502 5.395 -8.700 3.259 1.00 1.02 H new ATOM 0 HG23 VAL A 502 5.142 -6.982 3.651 1.00 1.02 H new ATOM 696 N LYS A 503 5.334 -9.047 -0.725 1.00 0.58 N ATOM 697 CA LYS A 503 6.004 -10.179 -1.340 1.00 0.71 C ATOM 698 C LYS A 503 7.110 -9.700 -2.275 1.00 0.69 C ATOM 699 O LYS A 503 8.114 -10.387 -2.453 1.00 0.84 O ATOM 700 CB LYS A 503 4.998 -11.045 -2.100 1.00 0.88 C ATOM 701 CG LYS A 503 5.523 -12.418 -2.479 1.00 1.35 C ATOM 702 CD LYS A 503 4.441 -13.254 -3.141 1.00 1.44 C ATOM 703 CE LYS A 503 4.887 -14.692 -3.332 1.00 2.04 C ATOM 704 NZ LYS A 503 3.809 -15.537 -3.910 1.00 2.54 N ATOM 0 H LYS A 503 4.531 -8.694 -1.246 1.00 0.58 H new ATOM 0 HA LYS A 503 6.456 -10.783 -0.553 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.104 -11.166 -1.488 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.695 -10.521 -3.006 1.00 0.88 H new ATOM 0 HG2 LYS A 503 6.371 -12.312 -3.156 1.00 1.35 H new ATOM 0 HG3 LYS A 503 5.888 -12.930 -1.589 1.00 1.35 H new ATOM 0 HD2 LYS A 503 3.538 -13.230 -2.532 1.00 1.44 H new ATOM 0 HD3 LYS A 503 4.185 -12.820 -4.108 1.00 1.44 H new ATOM 0 HE2 LYS A 503 5.758 -14.718 -3.987 1.00 2.04 H new ATOM 0 HE3 LYS A 503 5.197 -15.106 -2.373 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 4.155 -16.511 -4.024 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 2.987 -15.534 -3.273 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 3.530 -15.158 -4.837 1.00 2.54 H new ATOM 718 N ILE A 504 6.936 -8.521 -2.871 1.00 0.62 N ATOM 719 CA ILE A 504 7.956 -7.990 -3.770 1.00 0.73 C ATOM 720 C ILE A 504 9.112 -7.349 -2.993 1.00 0.73 C ATOM 721 O ILE A 504 10.239 -7.284 -3.484 1.00 0.85 O ATOM 722 CB ILE A 504 7.382 -6.982 -4.801 1.00 0.87 C ATOM 723 CG1 ILE A 504 8.325 -6.850 -6.002 1.00 1.30 C ATOM 724 CG2 ILE A 504 7.148 -5.616 -4.175 1.00 1.34 C ATOM 725 CD1 ILE A 504 8.557 -8.150 -6.742 1.00 1.75 C ATOM 0 H ILE A 504 6.116 -7.927 -2.751 1.00 0.62 H new ATOM 0 HA ILE A 504 8.338 -8.845 -4.327 1.00 0.73 H new ATOM 0 HB ILE A 504 6.421 -7.369 -5.139 1.00 0.87 H new ATOM 0 HG12 ILE A 504 7.914 -6.116 -6.696 1.00 1.30 H new ATOM 0 HG13 ILE A 504 9.284 -6.462 -5.658 1.00 1.30 H new ATOM 0 HG21 ILE A 504 6.746 -4.936 -4.926 1.00 1.34 H new ATOM 0 HG22 ILE A 504 6.439 -5.709 -3.353 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.092 -5.222 -3.797 1.00 1.34 H new ATOM 0 HD11 ILE A 504 9.234 -7.977 -7.578 1.00 1.75 H new ATOM 0 HD12 ILE A 504 8.997 -8.881 -6.064 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.607 -8.530 -7.117 1.00 1.75 H new ATOM 737 N ILE A 505 8.833 -6.879 -1.782 1.00 0.71 N ATOM 738 CA ILE A 505 9.871 -6.294 -0.938 1.00 0.85 C ATOM 739 C ILE A 505 10.334 -7.302 0.109 1.00 0.97 C ATOM 740 O ILE A 505 11.471 -7.245 0.588 1.00 1.20 O ATOM 741 CB ILE A 505 9.383 -4.997 -0.240 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.905 -3.974 -1.280 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.482 -4.393 0.627 1.00 1.83 C ATOM 744 CD1 ILE A 505 9.953 -3.618 -2.308 1.00 2.19 C ATOM 745 OXT ILE A 505 9.512 -8.174 0.479 1.00 1.58 O ATOM 0 H ILE A 505 7.903 -6.891 -1.364 1.00 0.71 H new ATOM 0 HA ILE A 505 10.708 -6.032 -1.585 1.00 0.85 H new ATOM 0 HB ILE A 505 8.545 -5.259 0.406 1.00 1.10 H new ATOM 0 HG12 ILE A 505 8.028 -4.371 -1.791 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.590 -3.066 -0.766 1.00 1.49 H new ATOM 0 HG21 ILE A 505 10.112 -3.485 1.104 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.777 -5.111 1.393 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.344 -4.151 0.005 1.00 1.83 H new ATOM 0 HD11 ILE A 505 9.543 -2.891 -3.009 1.00 2.19 H new ATOM 0 HD12 ILE A 505 10.822 -3.190 -1.808 1.00 2.19 H new ATOM 0 HD13 ILE A 505 10.251 -4.516 -2.850 1.00 2.19 H new