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 Single : A 462 SER OG : rot -13:sc= 0.877 USER MOD Single : A 466 SER OG : rot 66:sc= 1.24 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot -36:sc= 0.0136 USER MOD Single : A 471 SER OG : rot -42:sc= 1.17 USER MOD Single : A 478 LYS NZ :NH3+ -171:sc= 0.991 (180deg=0.919) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 141:sc= -0.166 (180deg=-0.925) USER MOD Single : A 483 THR OG1 : rot 83:sc= 0.0913 USER MOD Single : A 489 LYS NZ :NH3+ 174:sc= 0.821 (180deg=0.687) USER MOD Single : A 492 ASN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 HIS : no HE2:sc= -0.839 K(o=-0.84,f=-3.6!) USER MOD Single : A 499 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.77) USER MOD Single : A 500 MET CE :methyl 137:sc= -0.0968 (180deg=-0.489) USER MOD Single : A 503 LYS NZ :NH3+ -165:sc= -0.031 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.314 0.427 7.898 1.00 1.77 N ATOM 2 CA SER A 462 -5.137 0.758 8.687 1.00 1.60 C ATOM 3 C SER A 462 -3.927 -0.103 8.321 1.00 1.25 C ATOM 4 O SER A 462 -2.794 0.375 8.351 1.00 1.09 O ATOM 5 CB SER A 462 -5.473 0.611 10.170 1.00 1.97 C ATOM 6 OG SER A 462 -6.697 -0.092 10.337 1.00 2.70 O ATOM 0 HA SER A 462 -4.861 1.789 8.467 1.00 1.60 H new ATOM 0 HB2 SER A 462 -4.669 0.080 10.680 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.547 1.596 10.631 1.00 1.97 H new ATOM 0 HG SER A 462 -7.162 -0.149 9.476 1.00 2.70 H new ATOM 14 N VAL A 463 -4.172 -1.361 7.969 1.00 1.25 N ATOM 15 CA VAL A 463 -3.090 -2.271 7.605 1.00 1.07 C ATOM 16 C VAL A 463 -2.332 -1.755 6.388 1.00 0.89 C ATOM 17 O VAL A 463 -1.129 -1.506 6.456 1.00 0.76 O ATOM 18 CB VAL A 463 -3.610 -3.696 7.314 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.468 -4.622 6.920 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.343 -4.250 8.524 1.00 1.50 C ATOM 0 H VAL A 463 -5.104 -1.773 7.928 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.417 -2.317 8.461 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.306 -3.638 6.478 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.860 -5.619 6.720 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.981 -4.238 6.024 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.744 -4.673 7.733 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.703 -5.255 8.303 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.663 -4.287 9.375 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.189 -3.606 8.763 1.00 1.50 H new ATOM 30 N ILE A 464 -3.047 -1.567 5.286 1.00 1.02 N ATOM 31 CA ILE A 464 -2.434 -1.125 4.039 1.00 1.02 C ATOM 32 C ILE A 464 -1.819 0.260 4.207 1.00 0.88 C ATOM 33 O ILE A 464 -0.657 0.475 3.860 1.00 0.84 O ATOM 34 CB ILE A 464 -3.448 -1.118 2.862 1.00 1.35 C ATOM 35 CG1 ILE A 464 -3.786 -2.550 2.421 1.00 1.81 C ATOM 36 CG2 ILE A 464 -2.909 -0.324 1.678 1.00 1.96 C ATOM 37 CD1 ILE A 464 -4.629 -3.331 3.411 1.00 2.72 C ATOM 0 H ILE A 464 -4.055 -1.714 5.230 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.648 -1.840 3.795 1.00 1.02 H new ATOM 0 HB ILE A 464 -4.359 -0.636 3.217 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -4.313 -2.508 1.468 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -2.856 -3.092 2.248 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -3.639 -0.336 0.869 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -2.724 0.706 1.984 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -1.978 -0.773 1.333 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -4.819 -4.330 3.018 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -4.098 -3.409 4.359 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -5.577 -2.816 3.568 1.00 2.72 H new ATOM 49 N ARG A 465 -2.594 1.175 4.782 1.00 0.94 N ATOM 50 CA ARG A 465 -2.158 2.552 4.979 1.00 0.95 C ATOM 51 C ARG A 465 -0.843 2.623 5.754 1.00 0.83 C ATOM 52 O ARG A 465 0.070 3.351 5.371 1.00 0.90 O ATOM 53 CB ARG A 465 -3.239 3.340 5.716 1.00 1.18 C ATOM 54 CG ARG A 465 -2.937 4.820 5.849 1.00 1.57 C ATOM 55 CD ARG A 465 -4.076 5.547 6.536 1.00 1.81 C ATOM 56 NE ARG A 465 -3.814 6.978 6.679 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.658 7.829 7.261 1.00 2.61 C ATOM 58 NH1 ARG A 465 -5.810 7.387 7.749 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.347 9.114 7.359 1.00 3.37 N ATOM 0 H ARG A 465 -3.536 0.984 5.122 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.990 2.992 3.996 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.186 3.218 5.190 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.370 2.915 6.711 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.017 4.958 6.418 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.769 5.251 4.862 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -4.993 5.403 5.965 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.242 5.110 7.521 1.00 1.81 H new ATOM 0 HE ARG A 465 -2.936 7.346 6.313 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -6.048 6.398 7.678 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -6.458 8.037 8.195 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -3.460 9.454 6.988 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.995 9.763 7.805 1.00 3.37 H new ATOM 73 N SER A 466 -0.747 1.861 6.838 1.00 0.80 N ATOM 74 CA SER A 466 0.442 1.892 7.677 1.00 0.87 C ATOM 75 C SER A 466 1.623 1.218 6.980 1.00 0.85 C ATOM 76 O SER A 466 2.727 1.767 6.938 1.00 1.03 O ATOM 77 CB SER A 466 0.164 1.214 9.021 1.00 0.96 C ATOM 78 OG SER A 466 -0.966 1.792 9.661 1.00 1.63 O ATOM 0 H SER A 466 -1.474 1.219 7.154 1.00 0.80 H new ATOM 0 HA SER A 466 0.702 2.935 7.855 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.007 0.149 8.866 1.00 0.96 H new ATOM 0 HB3 SER A 466 1.038 1.306 9.666 1.00 0.96 H new ATOM 0 HG SER A 466 -1.771 1.604 9.135 1.00 1.63 H new ATOM 84 N ILE A 467 1.381 0.037 6.414 1.00 0.78 N ATOM 85 CA ILE A 467 2.451 -0.741 5.803 1.00 0.91 C ATOM 86 C ILE A 467 3.102 0.014 4.652 1.00 0.96 C ATOM 87 O ILE A 467 4.327 0.073 4.567 1.00 1.18 O ATOM 88 CB ILE A 467 1.954 -2.119 5.309 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.499 -2.981 6.493 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.040 -2.836 4.520 1.00 1.24 C ATOM 91 CD1 ILE A 467 2.580 -3.226 7.527 1.00 1.59 C ATOM 0 H ILE A 467 0.459 -0.398 6.367 1.00 0.78 H new ATOM 0 HA ILE A 467 3.196 -0.905 6.581 1.00 0.91 H new ATOM 0 HB ILE A 467 1.103 -1.955 4.648 1.00 1.02 H new ATOM 0 HG12 ILE A 467 0.650 -2.497 6.977 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.146 -3.941 6.116 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.667 -3.803 4.183 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.319 -2.234 3.656 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.913 -2.985 5.155 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.180 -3.843 8.332 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.421 -3.739 7.060 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.917 -2.273 7.934 1.00 1.59 H new ATOM 103 N ILE A 468 2.300 0.617 3.781 1.00 0.87 N ATOM 104 CA ILE A 468 2.864 1.324 2.641 1.00 0.99 C ATOM 105 C ILE A 468 3.657 2.544 3.116 1.00 1.08 C ATOM 106 O ILE A 468 4.791 2.744 2.694 1.00 1.27 O ATOM 107 CB ILE A 468 1.799 1.712 1.577 1.00 1.02 C ATOM 108 CG1 ILE A 468 0.811 2.763 2.101 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.064 0.465 1.106 1.00 1.34 C ATOM 110 CD1 ILE A 468 -0.450 2.893 1.272 1.00 1.65 C ATOM 0 H ILE A 468 1.282 0.631 3.840 1.00 0.87 H new ATOM 0 HA ILE A 468 3.544 0.636 2.139 1.00 0.99 H new ATOM 0 HB ILE A 468 2.319 2.164 0.733 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.536 2.509 3.125 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.311 3.731 2.136 1.00 0.80 H new ATOM 0 HG21 ILE A 468 0.319 0.742 0.360 1.00 1.34 H new ATOM 0 HG22 ILE A 468 1.776 -0.233 0.665 1.00 1.34 H new ATOM 0 HG23 ILE A 468 0.570 -0.008 1.954 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -1.095 3.655 1.708 1.00 1.65 H new ATOM 0 HD12 ILE A 468 -0.188 3.179 0.253 1.00 1.65 H new ATOM 0 HD13 ILE A 468 -0.976 1.938 1.257 1.00 1.65 H new ATOM 122 N LYS A 469 3.100 3.300 4.062 1.00 1.04 N ATOM 123 CA LYS A 469 3.784 4.470 4.608 1.00 1.27 C ATOM 124 C LYS A 469 5.045 4.067 5.367 1.00 1.47 C ATOM 125 O LYS A 469 5.938 4.885 5.585 1.00 1.68 O ATOM 126 CB LYS A 469 2.865 5.264 5.542 1.00 1.35 C ATOM 127 CG LYS A 469 1.712 5.960 4.842 1.00 1.75 C ATOM 128 CD LYS A 469 0.894 6.791 5.820 1.00 1.96 C ATOM 129 CE LYS A 469 1.711 7.936 6.401 1.00 2.66 C ATOM 130 NZ LYS A 469 0.944 8.710 7.415 1.00 2.97 N ATOM 0 H LYS A 469 2.180 3.123 4.465 1.00 1.04 H new ATOM 0 HA LYS A 469 4.062 5.100 3.763 1.00 1.27 H new ATOM 0 HB2 LYS A 469 2.462 4.588 6.296 1.00 1.35 H new ATOM 0 HB3 LYS A 469 3.459 6.011 6.068 1.00 1.35 H new ATOM 0 HG2 LYS A 469 2.098 6.602 4.050 1.00 1.75 H new ATOM 0 HG3 LYS A 469 1.071 5.218 4.367 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.016 7.190 5.313 1.00 1.96 H new ATOM 0 HD3 LYS A 469 0.534 6.154 6.628 1.00 1.96 H new ATOM 0 HE2 LYS A 469 2.618 7.539 6.858 1.00 2.66 H new ATOM 0 HE3 LYS A 469 2.024 8.602 5.597 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 1.537 9.480 7.785 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 0.092 9.111 6.974 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 0.667 8.081 8.195 1.00 2.97 H new ATOM 144 N SER A 470 5.109 2.813 5.788 1.00 1.46 N ATOM 145 CA SER A 470 6.273 2.316 6.496 1.00 1.71 C ATOM 146 C SER A 470 7.226 1.566 5.556 1.00 1.82 C ATOM 147 O SER A 470 8.390 1.339 5.900 1.00 2.10 O ATOM 148 CB SER A 470 5.830 1.407 7.647 1.00 1.74 C ATOM 149 OG SER A 470 6.900 1.135 8.538 1.00 2.10 O ATOM 0 H SER A 470 4.369 2.124 5.651 1.00 1.46 H new ATOM 0 HA SER A 470 6.817 3.170 6.900 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.013 1.880 8.192 1.00 1.74 H new ATOM 0 HB3 SER A 470 5.444 0.471 7.244 1.00 1.74 H new ATOM 0 HG SER A 470 7.735 1.053 8.031 1.00 2.10 H new ATOM 155 N SER A 471 6.752 1.192 4.366 1.00 1.68 N ATOM 156 CA SER A 471 7.562 0.385 3.455 1.00 1.90 C ATOM 157 C SER A 471 8.723 1.198 2.883 1.00 1.57 C ATOM 158 O SER A 471 8.535 2.301 2.369 1.00 1.83 O ATOM 159 CB SER A 471 6.703 -0.207 2.326 1.00 2.65 C ATOM 160 OG SER A 471 6.111 0.801 1.525 1.00 3.40 O ATOM 0 H SER A 471 5.825 1.431 4.015 1.00 1.68 H new ATOM 0 HA SER A 471 7.980 -0.442 4.029 1.00 1.90 H new ATOM 0 HB2 SER A 471 7.321 -0.851 1.700 1.00 2.65 H new ATOM 0 HB3 SER A 471 5.922 -0.834 2.756 1.00 2.65 H new ATOM 0 HG SER A 471 5.781 1.524 2.099 1.00 3.40 H new ATOM 166 N ARG A 472 9.925 0.649 2.984 1.00 1.77 N ATOM 167 CA ARG A 472 11.121 1.336 2.535 1.00 1.99 C ATOM 168 C ARG A 472 11.304 1.194 1.023 1.00 1.90 C ATOM 169 O ARG A 472 12.160 0.445 0.552 1.00 2.38 O ATOM 170 CB ARG A 472 12.339 0.780 3.275 1.00 2.75 C ATOM 171 CG ARG A 472 13.628 1.527 2.978 1.00 3.26 C ATOM 172 CD ARG A 472 14.826 0.811 3.574 1.00 3.92 C ATOM 173 NE ARG A 472 14.958 -0.547 3.052 1.00 4.22 N ATOM 174 CZ ARG A 472 15.324 -1.596 3.787 1.00 4.90 C ATOM 175 NH1 ARG A 472 15.629 -1.436 5.071 1.00 5.31 N ATOM 176 NH2 ARG A 472 15.383 -2.804 3.236 1.00 5.50 N ATOM 0 H ARG A 472 10.095 -0.277 3.376 1.00 1.77 H new ATOM 0 HA ARG A 472 11.017 2.398 2.758 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.148 0.815 4.348 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.468 -0.269 3.008 1.00 2.75 H new ATOM 0 HG2 ARG A 472 13.757 1.621 1.900 1.00 3.26 H new ATOM 0 HG3 ARG A 472 13.567 2.538 3.381 1.00 3.26 H new ATOM 0 HD2 ARG A 472 15.733 1.375 3.355 1.00 3.92 H new ATOM 0 HD3 ARG A 472 14.726 0.776 4.659 1.00 3.92 H new ATOM 0 HE ARG A 472 14.758 -0.701 2.064 1.00 4.22 H new ATOM 0 HH11 ARG A 472 15.583 -0.509 5.494 1.00 5.31 H new ATOM 0 HH12 ARG A 472 15.909 -2.240 5.633 1.00 5.31 H new ATOM 0 HH21 ARG A 472 15.148 -2.927 2.251 1.00 5.50 H new ATOM 0 HH22 ARG A 472 15.663 -3.608 3.798 1.00 5.50 H new ATOM 190 N LEU A 473 10.476 1.896 0.267 1.00 1.57 N ATOM 191 CA LEU A 473 10.623 1.936 -1.181 1.00 1.68 C ATOM 192 C LEU A 473 10.985 3.353 -1.585 1.00 1.46 C ATOM 193 O LEU A 473 12.145 3.680 -1.831 1.00 2.00 O ATOM 194 CB LEU A 473 9.322 1.539 -1.899 1.00 2.11 C ATOM 195 CG LEU A 473 8.426 0.543 -1.166 1.00 1.80 C ATOM 196 CD1 LEU A 473 7.129 0.342 -1.934 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.137 -0.788 -0.962 1.00 2.17 C ATOM 0 H LEU A 473 9.697 2.445 0.629 1.00 1.57 H new ATOM 0 HA LEU A 473 11.399 1.226 -1.467 1.00 1.68 H new ATOM 0 HB2 LEU A 473 8.745 2.444 -2.089 1.00 2.11 H new ATOM 0 HB3 LEU A 473 9.581 1.117 -2.870 1.00 2.11 H new ATOM 0 HG LEU A 473 8.194 0.952 -0.183 1.00 1.80 H new ATOM 0 HD11 LEU A 473 6.498 -0.370 -1.402 1.00 2.32 H new ATOM 0 HD12 LEU A 473 6.607 1.295 -2.022 1.00 2.32 H new ATOM 0 HD13 LEU A 473 7.351 -0.043 -2.929 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.475 -1.477 -0.438 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.406 -1.209 -1.931 1.00 2.17 H new ATOM 0 HD23 LEU A 473 10.040 -0.632 -0.371 1.00 2.17 H new ATOM 209 N GLU A 474 9.961 4.187 -1.607 1.00 1.28 N ATOM 210 CA GLU A 474 10.079 5.611 -1.894 1.00 1.36 C ATOM 211 C GLU A 474 9.022 6.332 -1.080 1.00 1.06 C ATOM 212 O GLU A 474 7.876 5.901 -1.059 1.00 1.14 O ATOM 213 CB GLU A 474 9.841 5.893 -3.384 1.00 1.92 C ATOM 214 CG GLU A 474 10.935 5.391 -4.312 1.00 2.48 C ATOM 215 CD GLU A 474 12.248 6.109 -4.098 1.00 3.00 C ATOM 216 OE1 GLU A 474 12.230 7.328 -3.840 1.00 3.36 O ATOM 217 OE2 GLU A 474 13.307 5.457 -4.197 1.00 3.47 O ATOM 0 H GLU A 474 9.003 3.890 -1.422 1.00 1.28 H new ATOM 0 HA GLU A 474 11.082 5.953 -1.639 1.00 1.36 H new ATOM 0 HB2 GLU A 474 8.896 5.436 -3.679 1.00 1.92 H new ATOM 0 HB3 GLU A 474 9.732 6.969 -3.523 1.00 1.92 H new ATOM 0 HG2 GLU A 474 11.079 4.322 -4.154 1.00 2.48 H new ATOM 0 HG3 GLU A 474 10.618 5.521 -5.347 1.00 2.48 H new ATOM 224 N GLU A 475 9.385 7.421 -0.418 1.00 0.94 N ATOM 225 CA GLU A 475 8.433 8.109 0.441 1.00 0.84 C ATOM 226 C GLU A 475 7.341 8.776 -0.386 1.00 0.73 C ATOM 227 O GLU A 475 6.198 8.896 0.068 1.00 0.73 O ATOM 228 CB GLU A 475 9.117 9.103 1.389 1.00 1.20 C ATOM 229 CG GLU A 475 9.932 10.188 0.712 1.00 1.66 C ATOM 230 CD GLU A 475 10.600 11.098 1.723 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.975 12.091 2.140 1.00 2.49 O ATOM 232 OE2 GLU A 475 11.763 10.835 2.093 1.00 2.79 O ATOM 0 H GLU A 475 10.314 7.841 -0.457 1.00 0.94 H new ATOM 0 HA GLU A 475 7.962 7.357 1.074 1.00 0.84 H new ATOM 0 HB2 GLU A 475 8.353 9.577 2.005 1.00 1.20 H new ATOM 0 HB3 GLU A 475 9.770 8.547 2.062 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.690 9.731 0.076 1.00 1.66 H new ATOM 0 HG3 GLU A 475 9.285 10.778 0.063 1.00 1.66 H new ATOM 239 N ASP A 476 7.672 9.182 -1.612 1.00 0.88 N ATOM 240 CA ASP A 476 6.646 9.639 -2.538 1.00 0.98 C ATOM 241 C ASP A 476 5.710 8.495 -2.823 1.00 0.85 C ATOM 242 O ASP A 476 4.519 8.675 -2.823 1.00 0.84 O ATOM 243 CB ASP A 476 7.207 10.111 -3.868 1.00 1.36 C ATOM 244 CG ASP A 476 6.249 11.024 -4.607 1.00 2.00 C ATOM 245 OD1 ASP A 476 6.048 12.172 -4.167 1.00 2.63 O ATOM 246 OD2 ASP A 476 5.706 10.592 -5.646 1.00 2.43 O ATOM 0 H ASP A 476 8.624 9.203 -1.978 1.00 0.88 H new ATOM 0 HA ASP A 476 6.146 10.483 -2.064 1.00 0.98 H new ATOM 0 HB2 ASP A 476 8.147 10.636 -3.697 1.00 1.36 H new ATOM 0 HB3 ASP A 476 7.434 9.246 -4.491 1.00 1.36 H new ATOM 251 N ARG A 477 6.277 7.312 -3.075 1.00 0.89 N ATOM 252 CA ARG A 477 5.486 6.106 -3.315 1.00 0.96 C ATOM 253 C ARG A 477 4.570 5.794 -2.143 1.00 0.80 C ATOM 254 O ARG A 477 3.447 5.361 -2.338 1.00 0.85 O ATOM 255 CB ARG A 477 6.381 4.894 -3.576 1.00 1.23 C ATOM 256 CG ARG A 477 6.380 4.422 -5.020 1.00 1.57 C ATOM 257 CD ARG A 477 7.436 5.129 -5.854 1.00 1.89 C ATOM 258 NE ARG A 477 7.229 6.568 -5.927 1.00 1.95 N ATOM 259 CZ ARG A 477 7.833 7.357 -6.820 1.00 2.54 C ATOM 260 NH1 ARG A 477 8.707 6.844 -7.681 1.00 2.96 N ATOM 261 NH2 ARG A 477 7.565 8.654 -6.856 1.00 2.98 N ATOM 0 H ARG A 477 7.286 7.165 -3.118 1.00 0.89 H new ATOM 0 HA ARG A 477 4.881 6.306 -4.199 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.402 5.141 -3.286 1.00 1.23 H new ATOM 0 HB3 ARG A 477 6.058 4.073 -2.936 1.00 1.23 H new ATOM 0 HG2 ARG A 477 6.556 3.347 -5.049 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.397 4.596 -5.457 1.00 1.57 H new ATOM 0 HD2 ARG A 477 8.420 4.929 -5.430 1.00 1.89 H new ATOM 0 HD3 ARG A 477 7.433 4.715 -6.862 1.00 1.89 H new ATOM 0 HE ARG A 477 6.588 6.997 -5.260 1.00 1.95 H new ATOM 0 HH11 ARG A 477 8.917 5.846 -7.661 1.00 2.96 H new ATOM 0 HH12 ARG A 477 9.167 7.448 -8.362 1.00 2.96 H new ATOM 0 HH21 ARG A 477 6.895 9.055 -6.200 1.00 2.98 H new ATOM 0 HH22 ARG A 477 8.029 9.252 -7.540 1.00 2.98 H new ATOM 275 N LYS A 478 5.057 6.001 -0.929 1.00 0.77 N ATOM 276 CA LYS A 478 4.262 5.744 0.256 1.00 0.90 C ATOM 277 C LYS A 478 3.068 6.686 0.301 1.00 0.74 C ATOM 278 O LYS A 478 1.954 6.274 0.611 1.00 0.80 O ATOM 279 CB LYS A 478 5.126 5.890 1.508 1.00 1.21 C ATOM 280 CG LYS A 478 6.405 5.070 1.430 1.00 1.27 C ATOM 281 CD LYS A 478 7.119 4.982 2.764 1.00 1.66 C ATOM 282 CE LYS A 478 7.615 6.329 3.247 1.00 1.97 C ATOM 283 NZ LYS A 478 8.203 6.239 4.609 1.00 2.30 N ATOM 0 H LYS A 478 5.998 6.346 -0.741 1.00 0.77 H new ATOM 0 HA LYS A 478 3.885 4.722 0.220 1.00 0.90 H new ATOM 0 HB2 LYS A 478 5.379 6.940 1.650 1.00 1.21 H new ATOM 0 HB3 LYS A 478 4.551 5.580 2.381 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.168 4.065 1.081 1.00 1.27 H new ATOM 0 HG3 LYS A 478 7.073 5.514 0.692 1.00 1.27 H new ATOM 0 HD2 LYS A 478 6.443 4.560 3.507 1.00 1.66 H new ATOM 0 HD3 LYS A 478 7.963 4.298 2.676 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.362 6.713 2.552 1.00 1.97 H new ATOM 0 HE3 LYS A 478 6.789 7.041 3.253 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 8.392 7.196 4.969 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 7.536 5.755 5.244 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 9.093 5.702 4.568 1.00 2.30 H new ATOM 297 N ARG A 479 3.303 7.944 -0.040 1.00 0.71 N ATOM 298 CA ARG A 479 2.230 8.932 -0.116 1.00 0.86 C ATOM 299 C ARG A 479 1.398 8.731 -1.386 1.00 0.80 C ATOM 300 O ARG A 479 0.189 8.973 -1.408 1.00 0.90 O ATOM 301 CB ARG A 479 2.837 10.332 -0.093 1.00 1.09 C ATOM 302 CG ARG A 479 3.645 10.606 1.163 1.00 1.22 C ATOM 303 CD ARG A 479 4.468 11.877 1.046 1.00 1.88 C ATOM 304 NE ARG A 479 5.359 12.040 2.193 1.00 2.47 N ATOM 305 CZ ARG A 479 6.624 12.448 2.103 1.00 3.27 C ATOM 306 NH1 ARG A 479 7.139 12.765 0.925 1.00 3.65 N ATOM 307 NH2 ARG A 479 7.373 12.543 3.192 1.00 4.14 N ATOM 0 H ARG A 479 4.228 8.308 -0.269 1.00 0.71 H new ATOM 0 HA ARG A 479 1.568 8.809 0.741 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.478 10.459 -0.966 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.039 11.070 -0.173 1.00 1.09 H new ATOM 0 HG2 ARG A 479 2.972 10.688 2.016 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.307 9.763 1.359 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.055 11.850 0.128 1.00 1.88 H new ATOM 0 HD3 ARG A 479 3.803 12.738 0.974 1.00 1.88 H new ATOM 0 HE ARG A 479 4.989 11.828 3.120 1.00 2.47 H new ATOM 0 HH11 ARG A 479 6.567 12.697 0.083 1.00 3.65 H new ATOM 0 HH12 ARG A 479 8.108 13.077 0.859 1.00 3.65 H new ATOM 0 HH21 ARG A 479 6.981 12.303 4.103 1.00 4.14 H new ATOM 0 HH22 ARG A 479 8.341 12.856 3.119 1.00 4.14 H new ATOM 321 N TYR A 480 2.070 8.264 -2.429 1.00 0.83 N ATOM 322 CA TYR A 480 1.467 8.030 -3.730 1.00 1.03 C ATOM 323 C TYR A 480 0.440 6.908 -3.619 1.00 0.82 C ATOM 324 O TYR A 480 -0.748 7.071 -3.927 1.00 0.82 O ATOM 325 CB TYR A 480 2.553 7.645 -4.745 1.00 1.44 C ATOM 326 CG TYR A 480 2.065 7.532 -6.174 1.00 1.81 C ATOM 327 CD1 TYR A 480 1.508 8.625 -6.827 1.00 2.09 C ATOM 328 CD2 TYR A 480 2.154 6.329 -6.867 1.00 2.00 C ATOM 329 CE1 TYR A 480 1.057 8.523 -8.129 1.00 2.45 C ATOM 330 CE2 TYR A 480 1.707 6.222 -8.171 1.00 2.36 C ATOM 331 CZ TYR A 480 1.178 7.328 -8.803 1.00 2.55 C ATOM 332 OH TYR A 480 0.716 7.219 -10.095 1.00 2.93 O ATOM 0 H TYR A 480 3.063 8.034 -2.393 1.00 0.83 H new ATOM 0 HA TYR A 480 0.972 8.940 -4.069 1.00 1.03 H new ATOM 0 HB2 TYR A 480 3.350 8.387 -4.704 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.990 6.692 -4.447 1.00 1.44 H new ATOM 0 HD1 TYR A 480 1.426 9.569 -6.309 1.00 2.09 H new ATOM 0 HD2 TYR A 480 2.579 5.465 -6.379 1.00 2.00 H new ATOM 0 HE1 TYR A 480 0.611 9.377 -8.617 1.00 2.45 H new ATOM 0 HE2 TYR A 480 1.772 5.278 -8.692 1.00 2.36 H new ATOM 0 HH TYR A 480 0.879 6.311 -10.425 1.00 2.93 H new ATOM 342 N LEU A 481 0.924 5.773 -3.135 1.00 0.91 N ATOM 343 CA LEU A 481 0.112 4.588 -2.956 1.00 1.15 C ATOM 344 C LEU A 481 -0.815 4.746 -1.768 1.00 1.03 C ATOM 345 O LEU A 481 -1.774 4.009 -1.630 1.00 1.19 O ATOM 346 CB LEU A 481 0.995 3.356 -2.766 1.00 1.66 C ATOM 347 CG LEU A 481 1.914 3.027 -3.946 1.00 2.09 C ATOM 348 CD1 LEU A 481 2.786 1.826 -3.625 1.00 2.68 C ATOM 349 CD2 LEU A 481 1.098 2.772 -5.208 1.00 2.73 C ATOM 0 H LEU A 481 1.897 5.652 -2.855 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.491 4.455 -3.854 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.609 3.502 -1.877 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.354 2.495 -2.573 1.00 1.66 H new ATOM 0 HG LEU A 481 2.562 3.885 -4.124 1.00 2.09 H new ATOM 0 HD11 LEU A 481 3.432 1.608 -4.475 1.00 2.68 H new ATOM 0 HD12 LEU A 481 3.399 2.045 -2.751 1.00 2.68 H new ATOM 0 HD13 LEU A 481 2.154 0.962 -3.418 1.00 2.68 H new ATOM 0 HD21 LEU A 481 1.769 2.540 -6.035 1.00 2.73 H new ATOM 0 HD22 LEU A 481 0.424 1.932 -5.042 1.00 2.73 H new ATOM 0 HD23 LEU A 481 0.517 3.661 -5.451 1.00 2.73 H new ATOM 361 N MET A 482 -0.528 5.691 -0.894 1.00 1.05 N ATOM 362 CA MET A 482 -1.463 6.000 0.168 1.00 1.49 C ATOM 363 C MET A 482 -2.765 6.471 -0.455 1.00 1.39 C ATOM 364 O MET A 482 -3.789 5.784 -0.385 1.00 1.65 O ATOM 365 CB MET A 482 -0.900 7.074 1.098 1.00 2.05 C ATOM 366 CG MET A 482 -1.769 7.347 2.311 1.00 3.10 C ATOM 367 SD MET A 482 -1.053 8.588 3.409 1.00 4.00 S ATOM 368 CE MET A 482 -0.935 9.995 2.303 1.00 4.93 C ATOM 0 H MET A 482 0.327 6.248 -0.897 1.00 1.05 H new ATOM 0 HA MET A 482 -1.638 5.106 0.766 1.00 1.49 H new ATOM 0 HB2 MET A 482 0.091 6.768 1.433 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.775 8.000 0.536 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.752 7.682 1.981 1.00 3.10 H new ATOM 0 HG3 MET A 482 -1.917 6.419 2.864 1.00 3.10 H new ATOM 0 HE1 MET A 482 -1.192 10.906 2.844 1.00 4.93 H new ATOM 0 HE2 MET A 482 0.083 10.074 1.922 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.624 9.861 1.469 1.00 4.93 H new ATOM 378 N THR A 483 -2.683 7.605 -1.138 1.00 1.25 N ATOM 379 CA THR A 483 -3.837 8.228 -1.764 1.00 1.59 C ATOM 380 C THR A 483 -4.507 7.293 -2.773 1.00 1.32 C ATOM 381 O THR A 483 -5.733 7.239 -2.869 1.00 1.59 O ATOM 382 CB THR A 483 -3.424 9.539 -2.466 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.685 10.364 -1.547 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.645 10.299 -2.966 1.00 2.46 C ATOM 0 H THR A 483 -1.812 8.118 -1.273 1.00 1.25 H new ATOM 0 HA THR A 483 -4.557 8.448 -0.975 1.00 1.59 H new ATOM 0 HB THR A 483 -2.800 9.289 -3.324 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.749 10.073 -1.526 1.00 2.27 H new ATOM 0 HG21 THR A 483 -4.326 11.219 -3.456 1.00 2.46 H new ATOM 0 HG22 THR A 483 -5.193 9.680 -3.677 1.00 2.46 H new ATOM 0 HG23 THR A 483 -5.292 10.543 -2.123 1.00 2.46 H new ATOM 392 N LEU A 484 -3.699 6.551 -3.513 1.00 0.92 N ATOM 393 CA LEU A 484 -4.230 5.655 -4.537 1.00 0.90 C ATOM 394 C LEU A 484 -4.593 4.277 -3.978 1.00 0.84 C ATOM 395 O LEU A 484 -5.759 3.866 -4.025 1.00 0.91 O ATOM 396 CB LEU A 484 -3.236 5.502 -5.688 1.00 1.15 C ATOM 397 CG LEU A 484 -2.950 6.785 -6.472 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.006 6.503 -7.626 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.245 7.397 -6.980 1.00 2.20 C ATOM 0 H LEU A 484 -2.683 6.548 -3.428 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.148 6.112 -4.907 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -2.296 5.122 -5.288 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -3.616 4.749 -6.379 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.471 7.499 -5.802 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.814 7.426 -8.173 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.067 6.108 -7.239 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -2.459 5.772 -8.296 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -4.023 8.308 -7.535 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.751 6.687 -7.635 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.891 7.635 -6.135 1.00 2.20 H new ATOM 411 N LEU A 485 -3.611 3.573 -3.424 1.00 1.02 N ATOM 412 CA LEU A 485 -3.796 2.174 -3.065 1.00 1.47 C ATOM 413 C LEU A 485 -4.693 2.040 -1.845 1.00 1.75 C ATOM 414 O LEU A 485 -5.618 1.237 -1.856 1.00 1.92 O ATOM 415 CB LEU A 485 -2.447 1.487 -2.811 1.00 1.90 C ATOM 416 CG LEU A 485 -2.517 -0.002 -2.458 1.00 2.48 C ATOM 417 CD1 LEU A 485 -3.042 -0.810 -3.634 1.00 3.19 C ATOM 418 CD2 LEU A 485 -1.149 -0.513 -2.025 1.00 3.10 C ATOM 0 H LEU A 485 -2.685 3.947 -3.215 1.00 1.02 H new ATOM 0 HA LEU A 485 -4.281 1.678 -3.906 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -1.828 1.602 -3.701 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -1.940 2.011 -2.000 1.00 1.90 H new ATOM 0 HG LEU A 485 -3.210 -0.124 -1.625 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -3.083 -1.865 -3.361 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -4.042 -0.463 -3.896 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.378 -0.682 -4.489 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -1.218 -1.572 -1.778 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -0.435 -0.375 -2.837 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -0.814 0.043 -1.149 1.00 3.10 H new ATOM 430 N ASP A 486 -4.471 2.868 -0.822 1.00 1.95 N ATOM 431 CA ASP A 486 -5.215 2.730 0.434 1.00 2.47 C ATOM 432 C ASP A 486 -6.700 3.024 0.210 1.00 2.33 C ATOM 433 O ASP A 486 -7.548 2.696 1.037 1.00 2.75 O ATOM 434 CB ASP A 486 -4.612 3.654 1.504 1.00 2.90 C ATOM 435 CG ASP A 486 -5.385 3.669 2.815 1.00 3.47 C ATOM 436 OD1 ASP A 486 -5.475 2.616 3.480 1.00 3.72 O ATOM 437 OD2 ASP A 486 -5.882 4.756 3.201 1.00 3.86 O ATOM 0 H ASP A 486 -3.793 3.630 -0.836 1.00 1.95 H new ATOM 0 HA ASP A 486 -5.133 1.703 0.789 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -3.586 3.343 1.702 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -4.566 4.669 1.109 1.00 2.90 H new ATOM 442 N ASP A 487 -7.002 3.615 -0.942 1.00 1.85 N ATOM 443 CA ASP A 487 -8.370 3.968 -1.297 1.00 1.83 C ATOM 444 C ASP A 487 -8.957 3.044 -2.369 1.00 1.35 C ATOM 445 O ASP A 487 -10.182 2.948 -2.457 1.00 1.40 O ATOM 446 CB ASP A 487 -8.419 5.423 -1.778 1.00 2.05 C ATOM 447 CG ASP A 487 -9.729 5.781 -2.459 1.00 2.41 C ATOM 448 OD1 ASP A 487 -10.768 5.822 -1.763 1.00 2.77 O ATOM 449 OD2 ASP A 487 -9.727 6.038 -3.681 1.00 2.59 O ATOM 0 H ASP A 487 -6.310 3.861 -1.650 1.00 1.85 H new ATOM 0 HA ASP A 487 -8.980 3.847 -0.402 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.266 6.086 -0.927 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -7.596 5.598 -2.471 1.00 2.05 H new ATOM 454 N ILE A 488 -8.081 2.346 -3.130 1.00 1.14 N ATOM 455 CA ILE A 488 -8.460 1.572 -4.342 1.00 1.13 C ATOM 456 C ILE A 488 -9.977 1.410 -4.528 1.00 1.43 C ATOM 457 O ILE A 488 -10.571 2.097 -5.364 1.00 2.27 O ATOM 458 CB ILE A 488 -7.776 0.181 -4.364 1.00 1.34 C ATOM 459 CG1 ILE A 488 -6.271 0.324 -4.595 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.378 -0.722 -5.438 1.00 1.77 C ATOM 461 CD1 ILE A 488 -5.906 0.966 -5.919 1.00 1.67 C ATOM 0 H ILE A 488 -7.084 2.302 -2.921 1.00 1.14 H new ATOM 0 HA ILE A 488 -8.101 2.167 -5.181 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.948 -0.281 -3.392 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -5.845 0.917 -3.786 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -5.811 -0.663 -4.543 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.874 -1.689 -5.425 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.441 -0.864 -5.241 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.249 -0.259 -6.416 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -4.821 1.031 -6.005 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -6.300 0.362 -6.737 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -6.334 1.967 -5.968 1.00 1.67 H new ATOM 473 N LYS A 489 -10.601 0.521 -3.747 1.00 1.42 N ATOM 474 CA LYS A 489 -12.055 0.366 -3.772 1.00 1.75 C ATOM 475 C LYS A 489 -12.529 -0.645 -2.731 1.00 1.29 C ATOM 476 O LYS A 489 -13.437 -0.357 -1.952 1.00 1.88 O ATOM 477 CB LYS A 489 -12.562 -0.026 -5.171 1.00 2.46 C ATOM 478 CG LYS A 489 -11.942 -1.291 -5.745 1.00 3.04 C ATOM 479 CD LYS A 489 -12.461 -1.571 -7.146 1.00 3.88 C ATOM 480 CE LYS A 489 -11.933 -2.886 -7.691 1.00 4.70 C ATOM 481 NZ LYS A 489 -12.373 -4.043 -6.868 1.00 5.28 N ATOM 0 H LYS A 489 -10.122 -0.098 -3.093 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.479 1.338 -3.520 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.643 -0.157 -5.126 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -12.369 0.799 -5.856 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -10.857 -1.188 -5.770 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.167 -2.137 -5.095 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -13.551 -1.595 -7.132 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -12.169 -0.758 -7.811 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -12.277 -3.018 -8.717 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -10.844 -2.855 -7.722 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -12.078 -4.928 -7.328 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -11.940 -3.982 -5.924 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -13.409 -4.029 -6.775 1.00 5.28 H new ATOM 495 N GLY A 490 -11.916 -1.821 -2.709 1.00 0.91 N ATOM 496 CA GLY A 490 -12.339 -2.849 -1.782 1.00 0.96 C ATOM 497 C GLY A 490 -11.184 -3.434 -1.001 1.00 0.67 C ATOM 498 O GLY A 490 -10.035 -3.370 -1.440 1.00 0.69 O ATOM 0 H GLY A 490 -11.137 -2.080 -3.314 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.068 -2.431 -1.088 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.842 -3.645 -2.331 1.00 0.96 H new ATOM 502 N ALA A 491 -11.495 -4.011 0.155 1.00 0.70 N ATOM 503 CA ALA A 491 -10.486 -4.612 1.019 1.00 0.84 C ATOM 504 C ALA A 491 -9.854 -5.829 0.356 1.00 0.71 C ATOM 505 O ALA A 491 -8.701 -6.160 0.623 1.00 0.69 O ATOM 506 CB ALA A 491 -11.096 -4.994 2.360 1.00 1.22 C ATOM 0 H ALA A 491 -12.446 -4.075 0.517 1.00 0.70 H new ATOM 0 HA ALA A 491 -9.702 -3.874 1.189 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.330 -5.441 2.994 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -11.494 -4.103 2.846 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -11.901 -5.712 2.202 1.00 1.22 H new ATOM 512 N ASN A 492 -10.622 -6.484 -0.505 1.00 0.73 N ATOM 513 CA ASN A 492 -10.129 -7.618 -1.277 1.00 0.78 C ATOM 514 C ASN A 492 -8.915 -7.210 -2.102 1.00 0.65 C ATOM 515 O ASN A 492 -7.878 -7.879 -2.085 1.00 0.67 O ATOM 516 CB ASN A 492 -11.239 -8.146 -2.193 1.00 1.00 C ATOM 517 CG ASN A 492 -10.800 -9.325 -3.039 1.00 1.61 C ATOM 518 OD1 ASN A 492 -10.912 -10.477 -2.620 1.00 2.38 O ATOM 519 ND2 ASN A 492 -10.310 -9.050 -4.240 1.00 2.19 N ATOM 0 H ASN A 492 -11.597 -6.247 -0.687 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.830 -8.409 -0.589 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -12.094 -8.441 -1.585 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.575 -7.342 -2.847 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -10.009 -9.807 -4.854 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.234 -8.081 -4.550 1.00 2.19 H new ATOM 526 N ASP A 493 -9.052 -6.091 -2.808 1.00 0.63 N ATOM 527 CA ASP A 493 -7.981 -5.571 -3.651 1.00 0.69 C ATOM 528 C ASP A 493 -6.799 -5.169 -2.787 1.00 0.62 C ATOM 529 O ASP A 493 -5.650 -5.474 -3.099 1.00 0.66 O ATOM 530 CB ASP A 493 -8.459 -4.354 -4.450 1.00 0.86 C ATOM 531 CG ASP A 493 -9.779 -4.593 -5.151 1.00 1.33 C ATOM 532 OD1 ASP A 493 -9.781 -5.243 -6.218 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.821 -4.139 -4.644 1.00 1.97 O ATOM 0 H ASP A 493 -9.900 -5.524 -2.812 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.683 -6.354 -4.348 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.559 -3.501 -3.779 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.703 -4.091 -5.190 1.00 0.86 H new ATOM 538 N LEU A 494 -7.108 -4.493 -1.689 1.00 0.61 N ATOM 539 CA LEU A 494 -6.102 -4.023 -0.746 1.00 0.69 C ATOM 540 C LEU A 494 -5.202 -5.164 -0.279 1.00 0.57 C ATOM 541 O LEU A 494 -3.977 -5.091 -0.395 1.00 0.56 O ATOM 542 CB LEU A 494 -6.792 -3.377 0.457 1.00 0.91 C ATOM 543 CG LEU A 494 -7.637 -2.146 0.130 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.395 -1.671 1.357 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.755 -1.041 -0.409 1.00 1.77 C ATOM 0 H LEU A 494 -8.064 -4.255 -1.426 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.476 -3.288 -1.251 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.430 -4.121 0.934 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.032 -3.095 1.185 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.366 -2.418 -0.633 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.989 -0.794 1.101 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.053 -2.466 1.708 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.687 -1.412 2.144 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.365 -0.168 -0.639 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -6.008 -0.774 0.339 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.255 -1.384 -1.315 1.00 1.77 H new ATOM 557 N ALA A 495 -5.820 -6.222 0.230 1.00 0.56 N ATOM 558 CA ALA A 495 -5.086 -7.373 0.732 1.00 0.59 C ATOM 559 C ALA A 495 -4.274 -8.025 -0.380 1.00 0.55 C ATOM 560 O ALA A 495 -3.123 -8.421 -0.171 1.00 0.58 O ATOM 561 CB ALA A 495 -6.044 -8.380 1.348 1.00 0.68 C ATOM 0 H ALA A 495 -6.834 -6.305 0.306 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.395 -7.030 1.502 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.482 -9.237 1.720 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.582 -7.913 2.173 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.756 -8.713 0.593 1.00 0.68 H new ATOM 567 N LYS A 496 -4.876 -8.118 -1.564 1.00 0.59 N ATOM 568 CA LYS A 496 -4.215 -8.707 -2.722 1.00 0.68 C ATOM 569 C LYS A 496 -2.948 -7.932 -3.081 1.00 0.63 C ATOM 570 O LYS A 496 -1.856 -8.493 -3.075 1.00 0.65 O ATOM 571 CB LYS A 496 -5.173 -8.746 -3.920 1.00 0.85 C ATOM 572 CG LYS A 496 -4.558 -9.318 -5.190 1.00 1.29 C ATOM 573 CD LYS A 496 -4.073 -10.746 -4.994 1.00 1.77 C ATOM 574 CE LYS A 496 -3.552 -11.335 -6.294 1.00 2.53 C ATOM 575 NZ LYS A 496 -3.119 -12.747 -6.133 1.00 2.98 N ATOM 0 H LYS A 496 -5.825 -7.791 -1.745 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.929 -9.727 -2.467 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -6.047 -9.340 -3.653 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.525 -7.735 -4.123 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -5.294 -9.292 -5.993 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -3.723 -8.691 -5.503 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -3.284 -10.765 -4.242 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -4.889 -11.361 -4.615 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -4.331 -11.279 -7.055 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.714 -10.738 -6.652 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -2.771 -13.109 -7.044 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -2.358 -12.798 -5.426 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -3.925 -13.323 -5.816 1.00 2.98 H new ATOM 589 N PHE A 497 -3.098 -6.638 -3.360 1.00 0.64 N ATOM 590 CA PHE A 497 -1.963 -5.797 -3.751 1.00 0.70 C ATOM 591 C PHE A 497 -0.956 -5.655 -2.614 1.00 0.62 C ATOM 592 O PHE A 497 0.225 -5.402 -2.843 1.00 0.67 O ATOM 593 CB PHE A 497 -2.443 -4.415 -4.201 1.00 0.84 C ATOM 594 CG PHE A 497 -3.111 -4.412 -5.549 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.358 -4.295 -6.705 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.486 -4.524 -5.658 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.964 -4.290 -7.947 1.00 1.67 C ATOM 598 CE2 PHE A 497 -5.099 -4.519 -6.895 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.337 -4.402 -8.041 1.00 1.82 C ATOM 0 H PHE A 497 -3.992 -6.148 -3.323 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.465 -6.288 -4.587 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.140 -4.024 -3.460 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.591 -3.736 -4.227 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.284 -4.207 -6.635 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.086 -4.616 -4.765 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -2.365 -4.199 -8.841 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.173 -4.606 -6.966 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.815 -4.398 -9.010 1.00 1.82 H new ATOM 609 N HIS A 498 -1.422 -5.845 -1.391 1.00 0.57 N ATOM 610 CA HIS A 498 -0.553 -5.764 -0.227 1.00 0.62 C ATOM 611 C HIS A 498 0.391 -6.953 -0.222 1.00 0.54 C ATOM 612 O HIS A 498 1.610 -6.792 -0.163 1.00 0.56 O ATOM 613 CB HIS A 498 -1.378 -5.729 1.067 1.00 0.75 C ATOM 614 CG HIS A 498 -0.550 -5.760 2.319 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.603 -6.796 3.226 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.349 -4.878 2.815 1.00 1.49 C ATOM 617 CE1 HIS A 498 0.225 -6.551 4.222 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.816 -5.395 3.999 1.00 1.69 N ATOM 0 H HIS A 498 -2.397 -6.056 -1.178 1.00 0.57 H new ATOM 0 HA HIS A 498 0.026 -4.842 -0.279 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -1.991 -4.828 1.071 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.061 -6.579 1.074 1.00 0.75 H new ATOM 0 HD1 HIS A 498 -1.192 -7.624 3.140 1.00 1.62 H new ATOM 0 HD2 HIS A 498 0.644 -3.942 2.364 1.00 1.49 H new ATOM 0 HE1 HIS A 498 0.391 -7.190 5.077 1.00 1.85 H new ATOM 627 N GLN A 499 -0.189 -8.144 -0.311 1.00 0.54 N ATOM 628 CA GLN A 499 0.588 -9.367 -0.386 1.00 0.60 C ATOM 629 C GLN A 499 1.442 -9.351 -1.647 1.00 0.53 C ATOM 630 O GLN A 499 2.534 -9.919 -1.679 1.00 0.54 O ATOM 631 CB GLN A 499 -0.344 -10.584 -0.372 1.00 0.77 C ATOM 632 CG GLN A 499 0.382 -11.917 -0.274 1.00 1.43 C ATOM 633 CD GLN A 499 1.239 -12.020 0.972 1.00 2.00 C ATOM 634 OE1 GLN A 499 2.413 -11.655 0.964 1.00 2.63 O ATOM 635 NE2 GLN A 499 0.661 -12.513 2.053 1.00 2.58 N ATOM 0 H GLN A 499 -1.199 -8.285 -0.333 1.00 0.54 H new ATOM 0 HA GLN A 499 1.246 -9.434 0.480 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.031 -10.493 0.469 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.948 -10.577 -1.279 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -0.348 -12.726 -0.277 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.010 -12.051 -1.155 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.316 -12.805 2.021 1.00 2.58 H new ATOM 0 HE22 GLN A 499 1.191 -12.601 2.920 1.00 2.58 H new ATOM 644 N MET A 500 0.947 -8.670 -2.675 1.00 0.54 N ATOM 645 CA MET A 500 1.691 -8.515 -3.916 1.00 0.63 C ATOM 646 C MET A 500 3.022 -7.809 -3.674 1.00 0.57 C ATOM 647 O MET A 500 4.085 -8.339 -4.014 1.00 0.58 O ATOM 648 CB MET A 500 0.879 -7.756 -4.968 1.00 0.80 C ATOM 649 CG MET A 500 -0.216 -8.588 -5.616 1.00 1.26 C ATOM 650 SD MET A 500 -1.177 -7.658 -6.827 1.00 1.91 S ATOM 651 CE MET A 500 0.080 -7.274 -8.046 1.00 2.52 C ATOM 0 H MET A 500 0.033 -8.217 -2.672 1.00 0.54 H new ATOM 0 HA MET A 500 1.890 -9.517 -4.297 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.429 -6.879 -4.503 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.554 -7.394 -5.743 1.00 0.80 H new ATOM 0 HG2 MET A 500 0.232 -9.454 -6.103 1.00 1.26 H new ATOM 0 HG3 MET A 500 -0.884 -8.967 -4.842 1.00 1.26 H new ATOM 0 HE1 MET A 500 -0.324 -7.428 -9.046 1.00 2.52 H new ATOM 0 HE2 MET A 500 0.389 -6.235 -7.935 1.00 2.52 H new ATOM 0 HE3 MET A 500 0.941 -7.926 -7.899 1.00 2.52 H new ATOM 661 N LEU A 501 2.969 -6.623 -3.075 1.00 0.59 N ATOM 662 CA LEU A 501 4.183 -5.860 -2.793 1.00 0.65 C ATOM 663 C LEU A 501 5.067 -6.588 -1.788 1.00 0.56 C ATOM 664 O LEU A 501 6.285 -6.472 -1.842 1.00 0.62 O ATOM 665 CB LEU A 501 3.866 -4.453 -2.279 1.00 0.85 C ATOM 666 CG LEU A 501 3.610 -3.376 -3.347 1.00 1.30 C ATOM 667 CD1 LEU A 501 4.873 -3.109 -4.147 1.00 2.09 C ATOM 668 CD2 LEU A 501 2.471 -3.769 -4.274 1.00 1.91 C ATOM 0 H LEU A 501 2.105 -6.171 -2.777 1.00 0.59 H new ATOM 0 HA LEU A 501 4.721 -5.765 -3.736 1.00 0.65 H new ATOM 0 HB2 LEU A 501 2.987 -4.514 -1.638 1.00 0.85 H new ATOM 0 HB3 LEU A 501 4.695 -4.123 -1.653 1.00 0.85 H new ATOM 0 HG LEU A 501 3.319 -2.461 -2.830 1.00 1.30 H new ATOM 0 HD11 LEU A 501 4.673 -2.345 -4.898 1.00 2.09 H new ATOM 0 HD12 LEU A 501 5.661 -2.763 -3.478 1.00 2.09 H new ATOM 0 HD13 LEU A 501 5.192 -4.027 -4.640 1.00 2.09 H new ATOM 0 HD21 LEU A 501 2.318 -2.985 -5.016 1.00 1.91 H new ATOM 0 HD22 LEU A 501 2.719 -4.703 -4.779 1.00 1.91 H new ATOM 0 HD23 LEU A 501 1.558 -3.902 -3.693 1.00 1.91 H new ATOM 680 N VAL A 502 4.459 -7.335 -0.869 1.00 0.53 N ATOM 681 CA VAL A 502 5.229 -8.152 0.062 1.00 0.64 C ATOM 682 C VAL A 502 6.062 -9.174 -0.708 1.00 0.61 C ATOM 683 O VAL A 502 7.230 -9.404 -0.395 1.00 0.73 O ATOM 684 CB VAL A 502 4.322 -8.877 1.082 1.00 0.86 C ATOM 685 CG1 VAL A 502 5.135 -9.804 1.970 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.567 -7.873 1.934 1.00 1.02 C ATOM 0 H VAL A 502 3.447 -7.391 -0.750 1.00 0.53 H new ATOM 0 HA VAL A 502 5.886 -7.484 0.619 1.00 0.64 H new ATOM 0 HB VAL A 502 3.603 -9.476 0.523 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.473 -10.302 2.679 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.635 -10.551 1.354 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.880 -9.225 2.515 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.934 -8.403 2.646 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.277 -7.248 2.475 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.947 -7.246 1.294 1.00 1.02 H new ATOM 696 N LYS A 503 5.461 -9.764 -1.735 1.00 0.58 N ATOM 697 CA LYS A 503 6.173 -10.691 -2.606 1.00 0.71 C ATOM 698 C LYS A 503 7.162 -9.949 -3.506 1.00 0.69 C ATOM 699 O LYS A 503 8.139 -10.527 -3.979 1.00 0.84 O ATOM 700 CB LYS A 503 5.180 -11.490 -3.455 1.00 0.88 C ATOM 701 CG LYS A 503 4.305 -12.426 -2.637 1.00 1.35 C ATOM 702 CD LYS A 503 3.258 -13.118 -3.497 1.00 1.44 C ATOM 703 CE LYS A 503 2.460 -14.129 -2.691 1.00 2.04 C ATOM 704 NZ LYS A 503 3.302 -15.267 -2.240 1.00 2.54 N ATOM 0 H LYS A 503 4.483 -9.617 -1.985 1.00 0.58 H new ATOM 0 HA LYS A 503 6.737 -11.381 -1.978 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.543 -10.797 -4.005 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.731 -12.072 -4.194 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.930 -13.176 -2.152 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.811 -11.862 -1.846 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.583 -12.374 -3.921 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.745 -13.620 -4.333 1.00 1.44 H new ATOM 0 HE2 LYS A 503 2.021 -13.636 -1.824 1.00 2.04 H new ATOM 0 HE3 LYS A 503 1.635 -14.505 -3.296 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 2.691 -16.046 -1.922 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 3.897 -15.593 -3.029 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 3.909 -14.960 -1.453 1.00 2.54 H new ATOM 718 N ILE A 504 6.900 -8.667 -3.743 1.00 0.62 N ATOM 719 CA ILE A 504 7.788 -7.843 -4.558 1.00 0.73 C ATOM 720 C ILE A 504 9.071 -7.471 -3.804 1.00 0.73 C ATOM 721 O ILE A 504 10.161 -7.491 -4.375 1.00 0.85 O ATOM 722 CB ILE A 504 7.077 -6.559 -5.058 1.00 0.87 C ATOM 723 CG1 ILE A 504 5.960 -6.932 -6.040 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.070 -5.604 -5.716 1.00 1.34 C ATOM 725 CD1 ILE A 504 5.201 -5.741 -6.587 1.00 1.75 C ATOM 0 H ILE A 504 6.081 -8.176 -3.383 1.00 0.62 H new ATOM 0 HA ILE A 504 8.062 -8.446 -5.424 1.00 0.73 H new ATOM 0 HB ILE A 504 6.641 -6.048 -4.200 1.00 0.87 H new ATOM 0 HG12 ILE A 504 6.392 -7.489 -6.872 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.258 -7.599 -5.540 1.00 1.30 H new ATOM 0 HG21 ILE A 504 7.545 -4.712 -6.058 1.00 1.34 H new ATOM 0 HG22 ILE A 504 8.835 -5.320 -4.994 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.539 -6.097 -6.567 1.00 1.34 H new ATOM 0 HD11 ILE A 504 4.428 -6.086 -7.274 1.00 1.75 H new ATOM 0 HD12 ILE A 504 4.738 -5.195 -5.765 1.00 1.75 H new ATOM 0 HD13 ILE A 504 5.890 -5.083 -7.117 1.00 1.75 H new ATOM 737 N ILE A 505 8.948 -7.148 -2.522 1.00 0.71 N ATOM 738 CA ILE A 505 10.099 -6.692 -1.743 1.00 0.85 C ATOM 739 C ILE A 505 10.765 -7.837 -0.983 1.00 0.97 C ATOM 740 O ILE A 505 11.970 -7.783 -0.724 1.00 1.20 O ATOM 741 CB ILE A 505 9.707 -5.572 -0.752 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.633 -6.058 0.225 1.00 1.49 C ATOM 743 CG2 ILE A 505 9.224 -4.352 -1.520 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.200 -5.008 1.227 1.00 2.19 C ATOM 745 OXT ILE A 505 10.049 -8.802 -0.628 1.00 1.58 O ATOM 0 H ILE A 505 8.072 -7.192 -2.001 1.00 0.71 H new ATOM 0 HA ILE A 505 10.815 -6.293 -2.461 1.00 0.85 H new ATOM 0 HB ILE A 505 10.586 -5.297 -0.169 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.762 -6.388 -0.341 1.00 1.49 H new ATOM 0 HG13 ILE A 505 9.011 -6.927 0.763 1.00 1.49 H new ATOM 0 HG21 ILE A 505 8.949 -3.565 -0.818 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.021 -3.994 -2.172 1.00 1.83 H new ATOM 0 HG23 ILE A 505 8.356 -4.621 -2.122 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.438 -5.425 1.885 1.00 2.19 H new ATOM 0 HD12 ILE A 505 9.059 -4.695 1.820 1.00 2.19 H new ATOM 0 HD13 ILE A 505 7.791 -4.147 0.698 1.00 2.19 H new TER 757 ILE A 505