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 38:sc= 0.226 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 165:sc= -0.0416 (180deg=-0.299) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 SER OG : rot 70:sc= 1.23 USER MOD Single : A 478 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.15) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 159:sc= -0.234 (180deg=-0.901) USER MOD Single : A 483 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc=-0.00818 K(o=-0.0082,f=-0.87) USER MOD Single : A 496 LYS NZ :NH3+ -166:sc= -0.0563 (180deg=-0.314) USER MOD Single : A 498 HIS : no HE2:sc= -0.0526 K(o=-0.053,f=-1.6!) USER MOD Single : A 499 GLN : amide:sc= -0.875 K(o=-0.88,f=0) USER MOD Single : A 500 MET CE :methyl -137:sc= -0.149 (180deg=-0.911) USER MOD Single : A 503 LYS NZ :NH3+ -143:sc= -0.515 (180deg=-2.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.824 -0.922 7.084 1.00 1.77 N ATOM 2 CA SER A 462 -5.885 -0.198 7.926 1.00 1.60 C ATOM 3 C SER A 462 -4.497 -0.826 7.838 1.00 1.25 C ATOM 4 O SER A 462 -3.484 -0.132 7.933 1.00 1.09 O ATOM 5 CB SER A 462 -6.376 -0.213 9.371 1.00 1.97 C ATOM 6 OG SER A 462 -7.741 0.170 9.447 1.00 2.70 O ATOM 0 HA SER A 462 -5.820 0.833 7.578 1.00 1.60 H new ATOM 0 HB2 SER A 462 -6.250 -1.211 9.792 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.770 0.465 9.972 1.00 1.97 H new ATOM 0 HG SER A 462 -8.229 -0.204 8.684 1.00 2.70 H new ATOM 14 N VAL A 463 -4.474 -2.146 7.646 1.00 1.25 N ATOM 15 CA VAL A 463 -3.232 -2.893 7.488 1.00 1.07 C ATOM 16 C VAL A 463 -2.349 -2.282 6.400 1.00 0.89 C ATOM 17 O VAL A 463 -1.272 -1.769 6.686 1.00 0.76 O ATOM 18 CB VAL A 463 -3.506 -4.378 7.150 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.206 -5.136 6.916 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.312 -5.041 8.256 1.00 1.50 C ATOM 0 H VAL A 463 -5.314 -2.722 7.596 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.708 -2.838 8.442 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.088 -4.408 6.229 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.429 -6.177 6.680 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.666 -4.684 6.085 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.592 -5.091 7.815 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.494 -6.084 7.998 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.756 -4.990 9.192 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.265 -4.525 8.371 1.00 1.50 H new ATOM 30 N ILE A 464 -2.811 -2.309 5.151 1.00 1.02 N ATOM 31 CA ILE A 464 -2.002 -1.806 4.046 1.00 1.02 C ATOM 32 C ILE A 464 -1.784 -0.300 4.173 1.00 0.88 C ATOM 33 O ILE A 464 -0.683 0.190 3.919 1.00 0.84 O ATOM 34 CB ILE A 464 -2.613 -2.131 2.657 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.702 -1.601 1.540 1.00 1.81 C ATOM 36 CG2 ILE A 464 -4.016 -1.557 2.523 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.242 -1.833 0.146 1.00 2.72 C ATOM 0 H ILE A 464 -3.727 -2.668 4.883 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.043 -2.320 4.111 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.689 -3.214 2.564 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.549 -0.532 1.686 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -0.725 -2.077 1.625 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -4.417 -1.802 1.539 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.659 -1.984 3.293 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -3.979 -0.474 2.641 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -1.542 -1.431 -0.587 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -2.369 -2.903 -0.022 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -3.205 -1.333 0.041 1.00 2.72 H new ATOM 49 N ARG A 465 -2.823 0.417 4.602 1.00 0.94 N ATOM 50 CA ARG A 465 -2.752 1.870 4.731 1.00 0.95 C ATOM 51 C ARG A 465 -1.594 2.277 5.643 1.00 0.83 C ATOM 52 O ARG A 465 -0.713 3.048 5.250 1.00 0.90 O ATOM 53 CB ARG A 465 -4.074 2.406 5.289 1.00 1.18 C ATOM 54 CG ARG A 465 -4.170 3.925 5.311 1.00 1.57 C ATOM 55 CD ARG A 465 -5.472 4.388 5.950 1.00 1.81 C ATOM 56 NE ARG A 465 -5.549 4.008 7.361 1.00 2.13 N ATOM 57 CZ ARG A 465 -6.651 3.556 7.959 1.00 2.61 C ATOM 58 NH1 ARG A 465 -7.782 3.416 7.281 1.00 2.88 N ATOM 59 NH2 ARG A 465 -6.623 3.244 9.249 1.00 3.37 N ATOM 0 H ARG A 465 -3.722 0.014 4.865 1.00 0.94 H new ATOM 0 HA ARG A 465 -2.577 2.299 3.744 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.895 2.010 4.692 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -4.207 2.030 6.303 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -3.325 4.337 5.863 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -4.105 4.310 4.294 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -5.556 5.471 5.860 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -6.315 3.957 5.411 1.00 1.81 H new ATOM 0 HE ARG A 465 -4.703 4.095 7.924 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -7.816 3.655 6.290 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -8.618 3.069 7.750 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -5.759 3.350 9.781 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -7.465 2.898 9.708 1.00 3.37 H new ATOM 73 N SER A 466 -1.585 1.729 6.847 1.00 0.80 N ATOM 74 CA SER A 466 -0.583 2.079 7.837 1.00 0.87 C ATOM 75 C SER A 466 0.771 1.461 7.494 1.00 0.85 C ATOM 76 O SER A 466 1.806 2.123 7.596 1.00 1.03 O ATOM 77 CB SER A 466 -1.040 1.623 9.228 1.00 0.96 C ATOM 78 OG SER A 466 -0.126 2.031 10.233 1.00 1.63 O ATOM 0 H SER A 466 -2.264 1.037 7.162 1.00 0.80 H new ATOM 0 HA SER A 466 -0.466 3.163 7.837 1.00 0.87 H new ATOM 0 HB2 SER A 466 -2.026 2.035 9.442 1.00 0.96 H new ATOM 0 HB3 SER A 466 -1.138 0.538 9.243 1.00 0.96 H new ATOM 0 HG SER A 466 -0.445 1.727 11.108 1.00 1.63 H new ATOM 84 N ILE A 467 0.766 0.203 7.065 1.00 0.78 N ATOM 85 CA ILE A 467 2.014 -0.510 6.836 1.00 0.91 C ATOM 86 C ILE A 467 2.845 0.121 5.722 1.00 0.96 C ATOM 87 O ILE A 467 4.039 0.346 5.912 1.00 1.18 O ATOM 88 CB ILE A 467 1.797 -2.017 6.554 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.364 -2.729 7.842 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.065 -2.656 5.995 1.00 1.24 C ATOM 91 CD1 ILE A 467 1.191 -4.225 7.689 1.00 1.59 C ATOM 0 H ILE A 467 -0.078 -0.337 6.871 1.00 0.78 H new ATOM 0 HA ILE A 467 2.573 -0.424 7.768 1.00 0.91 H new ATOM 0 HB ILE A 467 1.011 -2.120 5.806 1.00 1.02 H new ATOM 0 HG12 ILE A 467 2.105 -2.537 8.618 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.423 -2.298 8.185 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.886 -3.714 5.806 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.341 -2.162 5.063 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.875 -2.548 6.716 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.884 -4.655 8.642 1.00 1.59 H new ATOM 0 HD12 ILE A 467 0.428 -4.428 6.937 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.136 -4.670 7.377 1.00 1.59 H new ATOM 103 N ILE A 468 2.243 0.436 4.575 1.00 0.87 N ATOM 104 CA ILE A 468 3.044 0.954 3.470 1.00 0.99 C ATOM 105 C ILE A 468 3.604 2.329 3.811 1.00 1.08 C ATOM 106 O ILE A 468 4.772 2.597 3.557 1.00 1.27 O ATOM 107 CB ILE A 468 2.311 0.994 2.099 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.225 2.079 2.030 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.705 -0.370 1.798 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.724 2.312 0.630 1.00 1.65 C ATOM 0 H ILE A 468 1.244 0.346 4.391 1.00 0.87 H new ATOM 0 HA ILE A 468 3.857 0.239 3.346 1.00 0.99 H new ATOM 0 HB ILE A 468 3.057 1.248 1.346 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.389 1.791 2.667 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.624 3.012 2.429 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.193 -0.336 0.836 1.00 1.34 H new ATOM 0 HG22 ILE A 468 2.496 -1.119 1.762 1.00 1.34 H new ATOM 0 HG23 ILE A 468 0.992 -0.632 2.580 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.041 3.088 0.642 1.00 1.65 H new ATOM 0 HD12 ILE A 468 1.552 2.628 -0.005 1.00 1.65 H new ATOM 0 HD13 ILE A 468 0.298 1.389 0.238 1.00 1.65 H new ATOM 122 N LYS A 469 2.798 3.173 4.450 1.00 1.04 N ATOM 123 CA LYS A 469 3.262 4.503 4.824 1.00 1.27 C ATOM 124 C LYS A 469 4.376 4.401 5.861 1.00 1.47 C ATOM 125 O LYS A 469 5.275 5.243 5.913 1.00 1.68 O ATOM 126 CB LYS A 469 2.102 5.353 5.347 1.00 1.35 C ATOM 127 CG LYS A 469 1.687 5.072 6.784 1.00 1.75 C ATOM 128 CD LYS A 469 0.564 5.998 7.221 1.00 1.96 C ATOM 129 CE LYS A 469 0.149 5.753 8.664 1.00 2.66 C ATOM 130 NZ LYS A 469 1.293 5.894 9.603 1.00 2.97 N ATOM 0 H LYS A 469 1.836 2.963 4.716 1.00 1.04 H new ATOM 0 HA LYS A 469 3.663 4.994 3.938 1.00 1.27 H new ATOM 0 HB2 LYS A 469 2.377 6.404 5.265 1.00 1.35 H new ATOM 0 HB3 LYS A 469 1.239 5.198 4.700 1.00 1.35 H new ATOM 0 HG2 LYS A 469 1.364 4.035 6.876 1.00 1.75 H new ATOM 0 HG3 LYS A 469 2.545 5.199 7.445 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.884 7.034 7.107 1.00 1.96 H new ATOM 0 HD3 LYS A 469 -0.297 5.857 6.568 1.00 1.96 H new ATOM 0 HE2 LYS A 469 -0.636 6.457 8.940 1.00 2.66 H new ATOM 0 HE3 LYS A 469 -0.274 4.752 8.755 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 0.935 5.973 10.576 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.909 5.060 9.527 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.836 6.748 9.363 1.00 2.97 H new ATOM 144 N SER A 470 4.300 3.363 6.681 1.00 1.46 N ATOM 145 CA SER A 470 5.344 3.066 7.659 1.00 1.71 C ATOM 146 C SER A 470 6.558 2.410 6.987 1.00 1.82 C ATOM 147 O SER A 470 7.673 2.462 7.517 1.00 2.10 O ATOM 148 CB SER A 470 4.791 2.153 8.763 1.00 1.74 C ATOM 149 OG SER A 470 5.761 1.908 9.769 1.00 2.10 O ATOM 0 H SER A 470 3.520 2.705 6.690 1.00 1.46 H new ATOM 0 HA SER A 470 5.670 4.006 8.105 1.00 1.71 H new ATOM 0 HB2 SER A 470 3.910 2.613 9.210 1.00 1.74 H new ATOM 0 HB3 SER A 470 4.470 1.207 8.327 1.00 1.74 H new ATOM 0 HG SER A 470 5.378 1.325 10.458 1.00 2.10 H new ATOM 155 N SER A 471 6.349 1.804 5.823 1.00 1.68 N ATOM 156 CA SER A 471 7.432 1.148 5.103 1.00 1.90 C ATOM 157 C SER A 471 8.275 2.188 4.375 1.00 1.57 C ATOM 158 O SER A 471 7.945 2.625 3.275 1.00 1.83 O ATOM 159 CB SER A 471 6.869 0.116 4.124 1.00 2.65 C ATOM 160 OG SER A 471 6.089 -0.852 4.807 1.00 3.40 O ATOM 0 H SER A 471 5.442 1.754 5.360 1.00 1.68 H new ATOM 0 HA SER A 471 8.070 0.624 5.815 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.259 0.616 3.372 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.686 -0.375 3.596 1.00 2.65 H new ATOM 0 HG SER A 471 5.263 -0.437 5.131 1.00 3.40 H new ATOM 166 N ARG A 472 9.378 2.567 4.999 1.00 1.77 N ATOM 167 CA ARG A 472 10.180 3.690 4.538 1.00 1.99 C ATOM 168 C ARG A 472 11.259 3.271 3.546 1.00 1.90 C ATOM 169 O ARG A 472 12.350 3.847 3.529 1.00 2.38 O ATOM 170 CB ARG A 472 10.834 4.379 5.730 1.00 2.75 C ATOM 171 CG ARG A 472 9.860 5.127 6.623 1.00 3.26 C ATOM 172 CD ARG A 472 10.586 5.749 7.802 1.00 3.92 C ATOM 173 NE ARG A 472 11.778 6.479 7.373 1.00 4.22 N ATOM 174 CZ ARG A 472 12.912 6.527 8.065 1.00 4.90 C ATOM 175 NH1 ARG A 472 12.991 5.950 9.257 1.00 5.31 N ATOM 176 NH2 ARG A 472 13.961 7.167 7.569 1.00 5.50 N ATOM 0 H ARG A 472 9.742 2.109 5.834 1.00 1.77 H new ATOM 0 HA ARG A 472 9.506 4.374 4.022 1.00 1.99 H new ATOM 0 HB2 ARG A 472 11.357 3.631 6.326 1.00 2.75 H new ATOM 0 HB3 ARG A 472 11.586 5.078 5.365 1.00 2.75 H new ATOM 0 HG2 ARG A 472 9.355 5.904 6.049 1.00 3.26 H new ATOM 0 HG3 ARG A 472 9.090 4.444 6.982 1.00 3.26 H new ATOM 0 HD2 ARG A 472 9.913 6.426 8.329 1.00 3.92 H new ATOM 0 HD3 ARG A 472 10.870 4.969 8.508 1.00 3.92 H new ATOM 0 HE ARG A 472 11.737 6.983 6.487 1.00 4.22 H new ATOM 0 HH11 ARG A 472 12.180 5.468 9.645 1.00 5.31 H new ATOM 0 HH12 ARG A 472 13.863 5.989 9.786 1.00 5.31 H new ATOM 0 HH21 ARG A 472 13.897 7.621 6.658 1.00 5.50 H new ATOM 0 HH22 ARG A 472 14.832 7.205 8.098 1.00 5.50 H new ATOM 190 N LEU A 473 10.967 2.277 2.724 1.00 1.57 N ATOM 191 CA LEU A 473 11.916 1.851 1.711 1.00 1.68 C ATOM 192 C LEU A 473 11.833 2.764 0.492 1.00 1.46 C ATOM 193 O LEU A 473 12.855 3.122 -0.095 1.00 2.00 O ATOM 194 CB LEU A 473 11.728 0.370 1.322 1.00 2.11 C ATOM 195 CG LEU A 473 10.400 -0.042 0.660 1.00 1.80 C ATOM 196 CD1 LEU A 473 10.528 -1.454 0.120 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.242 0.029 1.644 1.00 2.17 C ATOM 0 H LEU A 473 10.091 1.755 2.737 1.00 1.57 H new ATOM 0 HA LEU A 473 12.916 1.933 2.137 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.537 0.098 0.644 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.852 -0.230 2.224 1.00 2.11 H new ATOM 0 HG LEU A 473 10.191 0.653 -0.153 1.00 1.80 H new ATOM 0 HD11 LEU A 473 9.590 -1.750 -0.350 1.00 2.32 H new ATOM 0 HD12 LEU A 473 11.330 -1.490 -0.617 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.756 -2.137 0.938 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.320 -0.268 1.143 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.434 -0.643 2.480 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.141 1.049 2.014 1.00 2.17 H new ATOM 209 N GLU A 474 10.621 3.152 0.126 1.00 1.28 N ATOM 210 CA GLU A 474 10.416 4.091 -0.957 1.00 1.36 C ATOM 211 C GLU A 474 9.301 5.073 -0.622 1.00 1.06 C ATOM 212 O GLU A 474 8.133 4.706 -0.472 1.00 1.14 O ATOM 213 CB GLU A 474 10.138 3.340 -2.252 1.00 1.92 C ATOM 214 CG GLU A 474 9.186 2.164 -2.119 1.00 2.48 C ATOM 215 CD GLU A 474 9.219 1.298 -3.358 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.627 1.696 -4.378 1.00 3.36 O ATOM 217 OE2 GLU A 474 9.865 0.235 -3.328 1.00 3.47 O ATOM 0 H GLU A 474 9.762 2.826 0.569 1.00 1.28 H new ATOM 0 HA GLU A 474 11.325 4.676 -1.095 1.00 1.36 H new ATOM 0 HB2 GLU A 474 9.728 4.040 -2.980 1.00 1.92 H new ATOM 0 HB3 GLU A 474 11.084 2.979 -2.655 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.457 1.569 -1.247 1.00 2.48 H new ATOM 0 HG3 GLU A 474 8.172 2.529 -1.953 1.00 2.48 H new ATOM 224 N GLU A 475 9.699 6.339 -0.519 1.00 0.94 N ATOM 225 CA GLU A 475 8.836 7.406 -0.030 1.00 0.84 C ATOM 226 C GLU A 475 7.665 7.670 -0.969 1.00 0.73 C ATOM 227 O GLU A 475 6.510 7.588 -0.564 1.00 0.73 O ATOM 228 CB GLU A 475 9.646 8.690 0.145 1.00 1.20 C ATOM 229 CG GLU A 475 10.768 8.576 1.163 1.00 1.66 C ATOM 230 CD GLU A 475 10.255 8.391 2.575 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.640 9.328 3.122 1.00 2.49 O ATOM 232 OE2 GLU A 475 10.457 7.299 3.146 1.00 2.79 O ATOM 0 H GLU A 475 10.635 6.653 -0.775 1.00 0.94 H new ATOM 0 HA GLU A 475 8.430 7.084 0.929 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.070 8.975 -0.818 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.974 9.493 0.448 1.00 1.20 H new ATOM 0 HG2 GLU A 475 11.409 7.734 0.900 1.00 1.66 H new ATOM 0 HG3 GLU A 475 11.386 9.473 1.119 1.00 1.66 H new ATOM 239 N ASP A 476 7.966 7.983 -2.222 1.00 0.88 N ATOM 240 CA ASP A 476 6.927 8.384 -3.166 1.00 0.98 C ATOM 241 C ASP A 476 5.923 7.275 -3.394 1.00 0.85 C ATOM 242 O ASP A 476 4.729 7.533 -3.448 1.00 0.84 O ATOM 243 CB ASP A 476 7.507 8.818 -4.508 1.00 1.36 C ATOM 244 CG ASP A 476 8.313 10.095 -4.408 1.00 2.00 C ATOM 245 OD1 ASP A 476 7.709 11.185 -4.436 1.00 2.63 O ATOM 246 OD2 ASP A 476 9.555 10.016 -4.307 1.00 2.43 O ATOM 0 H ASP A 476 8.910 7.968 -2.607 1.00 0.88 H new ATOM 0 HA ASP A 476 6.422 9.237 -2.713 1.00 0.98 H new ATOM 0 HB2 ASP A 476 8.141 8.023 -4.900 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.695 8.960 -5.222 1.00 1.36 H new ATOM 251 N ARG A 477 6.396 6.044 -3.531 1.00 0.89 N ATOM 252 CA ARG A 477 5.490 4.928 -3.742 1.00 0.96 C ATOM 253 C ARG A 477 4.563 4.720 -2.566 1.00 0.80 C ATOM 254 O ARG A 477 3.369 4.531 -2.756 1.00 0.85 O ATOM 255 CB ARG A 477 6.245 3.644 -4.005 1.00 1.23 C ATOM 256 CG ARG A 477 6.484 3.379 -5.472 1.00 1.57 C ATOM 257 CD ARG A 477 7.300 4.489 -6.116 1.00 1.89 C ATOM 258 NE ARG A 477 8.514 4.780 -5.370 1.00 1.95 N ATOM 259 CZ ARG A 477 9.372 5.752 -5.687 1.00 2.54 C ATOM 260 NH1 ARG A 477 9.090 6.610 -6.659 1.00 2.96 N ATOM 261 NH2 ARG A 477 10.505 5.888 -5.014 1.00 2.98 N ATOM 0 H ARG A 477 7.385 5.797 -3.500 1.00 0.89 H new ATOM 0 HA ARG A 477 4.894 5.183 -4.618 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.205 3.683 -3.489 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.688 2.810 -3.579 1.00 1.23 H new ATOM 0 HG2 ARG A 477 7.004 2.429 -5.591 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.527 3.285 -5.986 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.561 4.202 -7.135 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.693 5.391 -6.185 1.00 1.89 H new ATOM 0 HE ARG A 477 8.723 4.205 -4.554 1.00 1.95 H new ATOM 0 HH11 ARG A 477 8.211 6.530 -7.171 1.00 2.96 H new ATOM 0 HH12 ARG A 477 9.752 7.350 -6.894 1.00 2.96 H new ATOM 0 HH21 ARG A 477 10.724 5.248 -4.250 1.00 2.98 H new ATOM 0 HH22 ARG A 477 11.158 6.632 -5.260 1.00 2.98 H new ATOM 275 N LYS A 478 5.100 4.743 -1.353 1.00 0.77 N ATOM 276 CA LYS A 478 4.275 4.498 -0.190 1.00 0.90 C ATOM 277 C LYS A 478 3.220 5.596 -0.053 1.00 0.74 C ATOM 278 O LYS A 478 2.073 5.335 0.312 1.00 0.80 O ATOM 279 CB LYS A 478 5.127 4.378 1.082 1.00 1.21 C ATOM 280 CG LYS A 478 5.674 5.690 1.634 1.00 1.27 C ATOM 281 CD LYS A 478 6.690 5.432 2.734 1.00 1.66 C ATOM 282 CE LYS A 478 7.167 6.715 3.398 1.00 1.97 C ATOM 283 NZ LYS A 478 6.129 7.312 4.280 1.00 2.30 N ATOM 0 H LYS A 478 6.084 4.925 -1.156 1.00 0.77 H new ATOM 0 HA LYS A 478 3.763 3.545 -0.324 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.526 3.901 1.856 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.966 3.714 0.875 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.139 6.262 0.831 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.855 6.295 2.024 1.00 1.27 H new ATOM 0 HD2 LYS A 478 6.248 4.780 3.487 1.00 1.66 H new ATOM 0 HD3 LYS A 478 7.546 4.902 2.316 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.063 6.508 3.983 1.00 1.97 H new ATOM 0 HE3 LYS A 478 7.448 7.436 2.631 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 6.577 7.975 4.945 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 5.432 7.822 3.700 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 5.651 6.558 4.813 1.00 2.30 H new ATOM 297 N ARG A 479 3.618 6.820 -0.378 1.00 0.71 N ATOM 298 CA ARG A 479 2.698 7.951 -0.406 1.00 0.86 C ATOM 299 C ARG A 479 1.647 7.759 -1.493 1.00 0.80 C ATOM 300 O ARG A 479 0.447 7.813 -1.230 1.00 0.90 O ATOM 301 CB ARG A 479 3.453 9.245 -0.684 1.00 1.09 C ATOM 302 CG ARG A 479 4.460 9.629 0.381 1.00 1.22 C ATOM 303 CD ARG A 479 5.249 10.851 -0.045 1.00 1.88 C ATOM 304 NE ARG A 479 6.349 11.147 0.863 1.00 2.47 N ATOM 305 CZ ARG A 479 7.472 11.742 0.482 1.00 3.27 C ATOM 306 NH1 ARG A 479 7.646 12.072 -0.795 1.00 3.65 N ATOM 307 NH2 ARG A 479 8.417 12.001 1.374 1.00 4.14 N ATOM 0 H ARG A 479 4.578 7.056 -0.627 1.00 0.71 H new ATOM 0 HA ARG A 479 2.212 8.009 0.568 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.971 9.150 -1.638 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.732 10.055 -0.792 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.945 9.832 1.320 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.139 8.796 0.563 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.643 10.694 -1.049 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.582 11.711 -0.095 1.00 1.88 H new ATOM 0 HE ARG A 479 6.251 10.883 1.843 1.00 2.47 H new ATOM 0 HH11 ARG A 479 6.917 11.868 -1.478 1.00 3.65 H new ATOM 0 HH12 ARG A 479 8.508 12.530 -1.091 1.00 3.65 H new ATOM 0 HH21 ARG A 479 8.280 11.743 2.351 1.00 4.14 H new ATOM 0 HH22 ARG A 479 9.281 12.458 1.083 1.00 4.14 H new ATOM 321 N TYR A 480 2.118 7.534 -2.713 1.00 0.83 N ATOM 322 CA TYR A 480 1.255 7.391 -3.877 1.00 1.03 C ATOM 323 C TYR A 480 0.265 6.243 -3.687 1.00 0.82 C ATOM 324 O TYR A 480 -0.945 6.407 -3.867 1.00 0.82 O ATOM 325 CB TYR A 480 2.106 7.151 -5.127 1.00 1.44 C ATOM 326 CG TYR A 480 1.305 6.949 -6.392 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.371 7.891 -6.801 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.485 5.818 -7.174 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.367 7.707 -7.955 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.756 5.628 -8.330 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.168 6.582 -8.719 1.00 2.55 C ATOM 332 OH TYR A 480 -0.902 6.381 -9.866 1.00 2.93 O ATOM 0 H TYR A 480 3.112 7.445 -2.923 1.00 0.83 H new ATOM 0 HA TYR A 480 0.686 8.312 -3.999 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.775 8.000 -5.266 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.733 6.274 -4.963 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.219 8.781 -6.209 1.00 2.09 H new ATOM 0 HD2 TYR A 480 2.208 5.074 -6.873 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.097 8.444 -8.255 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.905 4.741 -8.927 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.632 5.536 -10.283 1.00 2.93 H new ATOM 342 N LEU A 481 0.788 5.092 -3.291 1.00 0.91 N ATOM 343 CA LEU A 481 -0.017 3.891 -3.138 1.00 1.15 C ATOM 344 C LEU A 481 -1.063 4.073 -2.046 1.00 1.03 C ATOM 345 O LEU A 481 -2.175 3.581 -2.170 1.00 1.19 O ATOM 346 CB LEU A 481 0.868 2.684 -2.825 1.00 1.66 C ATOM 347 CG LEU A 481 0.170 1.324 -2.902 1.00 2.09 C ATOM 348 CD1 LEU A 481 -0.243 1.013 -4.334 1.00 2.68 C ATOM 349 CD2 LEU A 481 1.074 0.231 -2.363 1.00 2.73 C ATOM 0 H LEU A 481 1.775 4.965 -3.068 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.532 3.711 -4.082 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.710 2.682 -3.518 1.00 1.66 H new ATOM 0 HB3 LEU A 481 1.280 2.806 -1.823 1.00 1.66 H new ATOM 0 HG LEU A 481 -0.728 1.366 -2.286 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -0.737 0.042 -4.367 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -0.929 1.782 -4.690 1.00 2.68 H new ATOM 0 HD13 LEU A 481 0.641 0.992 -4.971 1.00 2.68 H new ATOM 0 HD21 LEU A 481 0.561 -0.729 -2.426 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.990 0.192 -2.953 1.00 2.73 H new ATOM 0 HD23 LEU A 481 1.321 0.443 -1.323 1.00 2.73 H new ATOM 361 N MET A 482 -0.713 4.789 -0.983 1.00 1.05 N ATOM 362 CA MET A 482 -1.668 5.069 0.085 1.00 1.49 C ATOM 363 C MET A 482 -2.723 6.049 -0.398 1.00 1.39 C ATOM 364 O MET A 482 -3.897 5.924 -0.060 1.00 1.65 O ATOM 365 CB MET A 482 -0.964 5.622 1.327 1.00 2.05 C ATOM 366 CG MET A 482 -1.910 5.887 2.488 1.00 3.10 C ATOM 367 SD MET A 482 -1.081 6.586 3.928 1.00 4.00 S ATOM 368 CE MET A 482 -0.390 8.080 3.220 1.00 4.93 C ATOM 0 H MET A 482 0.216 5.183 -0.837 1.00 1.05 H new ATOM 0 HA MET A 482 -2.151 4.131 0.359 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.198 4.916 1.646 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.454 6.549 1.064 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.695 6.569 2.161 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.396 4.954 2.773 1.00 3.10 H new ATOM 0 HE1 MET A 482 -0.177 8.795 4.015 1.00 4.93 H new ATOM 0 HE2 MET A 482 0.533 7.839 2.692 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.104 8.516 2.522 1.00 4.93 H new ATOM 378 N THR A 483 -2.296 7.004 -1.212 1.00 1.25 N ATOM 379 CA THR A 483 -3.204 7.983 -1.784 1.00 1.59 C ATOM 380 C THR A 483 -4.235 7.291 -2.673 1.00 1.32 C ATOM 381 O THR A 483 -5.399 7.694 -2.730 1.00 1.59 O ATOM 382 CB THR A 483 -2.432 9.050 -2.596 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.419 9.651 -1.773 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.369 10.132 -3.115 1.00 2.46 C ATOM 0 H THR A 483 -1.322 7.120 -1.491 1.00 1.25 H new ATOM 0 HA THR A 483 -3.719 8.485 -0.965 1.00 1.59 H new ATOM 0 HB THR A 483 -1.970 8.554 -3.450 1.00 1.93 H new ATOM 0 HG1 THR A 483 -0.669 9.029 -1.671 1.00 2.27 H new ATOM 0 HG21 THR A 483 -2.797 10.867 -3.681 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.122 9.682 -3.761 1.00 2.46 H new ATOM 0 HG23 THR A 483 -3.859 10.623 -2.274 1.00 2.46 H new ATOM 392 N LEU A 484 -3.808 6.231 -3.346 1.00 0.92 N ATOM 393 CA LEU A 484 -4.704 5.494 -4.221 1.00 0.90 C ATOM 394 C LEU A 484 -5.475 4.411 -3.470 1.00 0.84 C ATOM 395 O LEU A 484 -6.664 4.223 -3.720 1.00 0.91 O ATOM 396 CB LEU A 484 -3.961 4.916 -5.436 1.00 1.15 C ATOM 397 CG LEU A 484 -2.833 3.920 -5.164 1.00 1.69 C ATOM 398 CD1 LEU A 484 -3.368 2.499 -5.090 1.00 2.28 C ATOM 399 CD2 LEU A 484 -1.766 4.026 -6.242 1.00 2.20 C ATOM 0 H LEU A 484 -2.856 5.866 -3.303 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.438 6.207 -4.595 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -4.694 4.427 -6.078 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -3.545 5.749 -6.004 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.387 4.166 -4.200 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.546 1.810 -4.896 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -4.099 2.427 -4.285 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.843 2.239 -6.036 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -0.969 3.312 -6.036 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -2.208 3.807 -7.214 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -1.355 5.036 -6.249 1.00 2.20 H new ATOM 411 N LEU A 485 -4.826 3.706 -2.538 1.00 1.02 N ATOM 412 CA LEU A 485 -5.519 2.655 -1.799 1.00 1.47 C ATOM 413 C LEU A 485 -6.663 3.253 -1.002 1.00 1.75 C ATOM 414 O LEU A 485 -7.742 2.666 -0.897 1.00 1.92 O ATOM 415 CB LEU A 485 -4.564 1.846 -0.897 1.00 1.90 C ATOM 416 CG LEU A 485 -3.873 2.578 0.268 1.00 2.48 C ATOM 417 CD1 LEU A 485 -4.787 2.702 1.479 1.00 3.19 C ATOM 418 CD2 LEU A 485 -2.607 1.840 0.659 1.00 3.10 C ATOM 0 H LEU A 485 -3.847 3.841 -2.284 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.926 1.948 -2.522 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -5.127 1.011 -0.479 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -3.787 1.420 -1.531 1.00 1.90 H new ATOM 0 HG LEU A 485 -3.628 3.584 -0.071 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -4.262 3.224 2.279 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -5.680 3.263 1.205 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -5.074 1.708 1.822 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -2.122 2.362 1.484 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -2.858 0.826 0.969 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -1.930 1.801 -0.194 1.00 3.10 H new ATOM 430 N ASP A 486 -6.414 4.448 -0.480 1.00 1.95 N ATOM 431 CA ASP A 486 -7.423 5.223 0.243 1.00 2.47 C ATOM 432 C ASP A 486 -8.683 5.446 -0.601 1.00 2.33 C ATOM 433 O ASP A 486 -9.752 5.738 -0.067 1.00 2.75 O ATOM 434 CB ASP A 486 -6.828 6.572 0.671 1.00 2.90 C ATOM 435 CG ASP A 486 -7.781 7.407 1.504 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.049 7.032 2.664 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.264 8.447 1.010 1.00 3.86 O ATOM 0 H ASP A 486 -5.507 4.910 -0.544 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.717 4.654 1.125 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.916 6.395 1.241 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.544 7.135 -0.218 1.00 2.90 H new ATOM 442 N ASP A 487 -8.558 5.292 -1.916 1.00 1.85 N ATOM 443 CA ASP A 487 -9.685 5.497 -2.819 1.00 1.83 C ATOM 444 C ASP A 487 -10.042 4.215 -3.583 1.00 1.35 C ATOM 445 O ASP A 487 -11.013 4.187 -4.337 1.00 1.40 O ATOM 446 CB ASP A 487 -9.370 6.629 -3.804 1.00 2.05 C ATOM 447 CG ASP A 487 -10.548 6.981 -4.695 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.474 7.672 -4.222 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.551 6.581 -5.875 1.00 2.59 O ATOM 0 H ASP A 487 -7.689 5.026 -2.379 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.549 5.773 -2.215 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.065 7.515 -3.247 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.524 6.337 -4.427 1.00 2.05 H new ATOM 454 N ILE A 488 -9.268 3.145 -3.390 1.00 1.14 N ATOM 455 CA ILE A 488 -9.555 1.885 -4.082 1.00 1.13 C ATOM 456 C ILE A 488 -10.894 1.303 -3.628 1.00 1.43 C ATOM 457 O ILE A 488 -11.645 0.741 -4.429 1.00 2.27 O ATOM 458 CB ILE A 488 -8.437 0.828 -3.894 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.160 1.269 -4.613 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.887 -0.538 -4.404 1.00 1.77 C ATOM 461 CD1 ILE A 488 -6.048 0.241 -4.572 1.00 1.67 C ATOM 0 H ILE A 488 -8.455 3.123 -2.775 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.604 2.127 -5.144 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.228 0.742 -2.828 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -7.398 1.491 -5.653 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.802 2.195 -4.163 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.085 -1.262 -4.261 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.770 -0.860 -3.851 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.128 -0.469 -5.465 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -5.177 0.626 -5.102 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -5.780 0.036 -3.536 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -6.385 -0.679 -5.049 1.00 1.67 H new ATOM 473 N LYS A 489 -11.176 1.453 -2.331 1.00 1.42 N ATOM 474 CA LYS A 489 -12.468 1.073 -1.751 1.00 1.75 C ATOM 475 C LYS A 489 -12.745 -0.428 -1.866 1.00 1.29 C ATOM 476 O LYS A 489 -13.894 -0.862 -1.757 1.00 1.88 O ATOM 477 CB LYS A 489 -13.597 1.870 -2.411 1.00 2.46 C ATOM 478 CG LYS A 489 -13.657 3.326 -1.977 1.00 3.04 C ATOM 479 CD LYS A 489 -13.880 4.259 -3.158 1.00 3.88 C ATOM 480 CE LYS A 489 -15.059 3.826 -4.016 1.00 4.70 C ATOM 481 NZ LYS A 489 -15.225 4.701 -5.206 1.00 5.28 N ATOM 0 H LYS A 489 -10.518 1.840 -1.655 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.424 1.310 -0.688 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.474 1.828 -3.493 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -14.549 1.392 -2.180 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -14.462 3.457 -1.254 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.728 3.594 -1.473 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.051 5.271 -2.792 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -12.979 4.290 -3.770 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -14.914 2.795 -4.340 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -15.971 3.847 -3.419 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -16.038 4.375 -5.766 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -15.388 5.680 -4.897 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -14.365 4.661 -5.789 1.00 5.28 H new ATOM 495 N GLY A 490 -11.699 -1.214 -2.076 1.00 0.91 N ATOM 496 CA GLY A 490 -11.852 -2.653 -2.158 1.00 0.96 C ATOM 497 C GLY A 490 -10.975 -3.363 -1.151 1.00 0.67 C ATOM 498 O GLY A 490 -9.755 -3.331 -1.265 1.00 0.69 O ATOM 0 H GLY A 490 -10.742 -0.879 -2.192 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -12.895 -2.919 -1.985 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.599 -2.990 -3.163 1.00 0.96 H new ATOM 502 N ALA A 491 -11.596 -4.006 -0.170 1.00 0.70 N ATOM 503 CA ALA A 491 -10.869 -4.625 0.935 1.00 0.84 C ATOM 504 C ALA A 491 -9.920 -5.721 0.454 1.00 0.71 C ATOM 505 O ALA A 491 -8.758 -5.769 0.865 1.00 0.69 O ATOM 506 CB ALA A 491 -11.847 -5.184 1.958 1.00 1.22 C ATOM 0 H ALA A 491 -12.609 -4.114 -0.116 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.261 -3.851 1.403 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.294 -5.643 2.777 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.468 -4.377 2.347 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.481 -5.933 1.484 1.00 1.22 H new ATOM 512 N ASN A 492 -10.410 -6.587 -0.424 1.00 0.73 N ATOM 513 CA ASN A 492 -9.618 -7.714 -0.911 1.00 0.78 C ATOM 514 C ASN A 492 -8.509 -7.227 -1.829 1.00 0.65 C ATOM 515 O ASN A 492 -7.386 -7.730 -1.793 1.00 0.67 O ATOM 516 CB ASN A 492 -10.500 -8.726 -1.650 1.00 1.00 C ATOM 517 CG ASN A 492 -11.441 -9.474 -0.724 1.00 1.61 C ATOM 518 OD1 ASN A 492 -11.121 -9.730 0.437 1.00 2.38 O ATOM 519 ND2 ASN A 492 -12.616 -9.820 -1.227 1.00 2.19 N ATOM 0 H ASN A 492 -11.351 -6.532 -0.814 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.173 -8.209 -0.048 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.083 -8.206 -2.410 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -9.865 -9.442 -2.171 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -13.293 -10.317 -0.647 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -12.844 -9.590 -2.194 1.00 2.19 H new ATOM 526 N ASP A 493 -8.827 -6.228 -2.640 1.00 0.63 N ATOM 527 CA ASP A 493 -7.860 -5.671 -3.574 1.00 0.69 C ATOM 528 C ASP A 493 -6.730 -4.983 -2.829 1.00 0.62 C ATOM 529 O ASP A 493 -5.569 -5.090 -3.219 1.00 0.66 O ATOM 530 CB ASP A 493 -8.534 -4.696 -4.538 1.00 0.86 C ATOM 531 CG ASP A 493 -9.529 -5.389 -5.442 1.00 1.33 C ATOM 532 OD1 ASP A 493 -9.100 -5.997 -6.448 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.740 -5.352 -5.135 1.00 1.97 O ATOM 0 H ASP A 493 -9.746 -5.787 -2.670 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.441 -6.492 -4.155 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.042 -3.917 -3.969 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.775 -4.203 -5.145 1.00 0.86 H new ATOM 538 N LEU A 494 -7.067 -4.296 -1.744 1.00 0.61 N ATOM 539 CA LEU A 494 -6.065 -3.627 -0.923 1.00 0.69 C ATOM 540 C LEU A 494 -5.111 -4.645 -0.310 1.00 0.57 C ATOM 541 O LEU A 494 -3.894 -4.454 -0.316 1.00 0.56 O ATOM 542 CB LEU A 494 -6.733 -2.805 0.181 1.00 0.91 C ATOM 543 CG LEU A 494 -7.593 -1.639 -0.305 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.193 -0.883 0.871 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.769 -0.709 -1.173 1.00 1.77 C ATOM 0 H LEU A 494 -8.025 -4.188 -1.412 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.496 -2.953 -1.564 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.355 -3.469 0.780 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -5.958 -2.414 0.840 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.413 -2.039 -0.902 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.801 -0.058 0.501 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -8.816 -1.558 1.458 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.392 -0.491 1.498 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.392 0.118 -1.514 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -5.932 -0.318 -0.595 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.390 -1.257 -2.036 1.00 1.77 H new ATOM 557 N ALA A 495 -5.667 -5.732 0.209 1.00 0.56 N ATOM 558 CA ALA A 495 -4.854 -6.807 0.762 1.00 0.59 C ATOM 559 C ALA A 495 -3.958 -7.399 -0.321 1.00 0.55 C ATOM 560 O ALA A 495 -2.794 -7.727 -0.078 1.00 0.58 O ATOM 561 CB ALA A 495 -5.740 -7.882 1.376 1.00 0.68 C ATOM 0 H ALA A 495 -6.673 -5.892 0.259 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.220 -6.398 1.549 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.117 -8.678 1.784 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.341 -7.446 2.174 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.397 -8.293 0.610 1.00 0.68 H new ATOM 567 N LYS A 496 -4.507 -7.497 -1.524 1.00 0.59 N ATOM 568 CA LYS A 496 -3.785 -8.033 -2.665 1.00 0.68 C ATOM 569 C LYS A 496 -2.653 -7.086 -3.083 1.00 0.63 C ATOM 570 O LYS A 496 -1.550 -7.533 -3.379 1.00 0.65 O ATOM 571 CB LYS A 496 -4.764 -8.283 -3.821 1.00 0.85 C ATOM 572 CG LYS A 496 -4.197 -9.124 -4.958 1.00 1.29 C ATOM 573 CD LYS A 496 -3.511 -8.276 -6.020 1.00 1.77 C ATOM 574 CE LYS A 496 -4.496 -7.341 -6.710 1.00 2.53 C ATOM 575 NZ LYS A 496 -5.630 -8.080 -7.329 1.00 2.98 N ATOM 0 H LYS A 496 -5.462 -7.208 -1.734 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.327 -8.983 -2.388 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.652 -8.778 -3.428 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.086 -7.322 -4.222 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -3.484 -9.843 -4.554 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.002 -9.697 -5.418 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.713 -7.692 -5.561 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.045 -8.926 -6.761 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -4.883 -6.624 -5.986 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -3.975 -6.769 -7.477 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -6.141 -7.450 -7.980 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -5.264 -8.899 -7.856 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -6.278 -8.408 -6.585 1.00 2.98 H new ATOM 589 N PHE A 497 -2.926 -5.780 -3.096 1.00 0.64 N ATOM 590 CA PHE A 497 -1.898 -4.781 -3.400 1.00 0.70 C ATOM 591 C PHE A 497 -0.815 -4.769 -2.324 1.00 0.62 C ATOM 592 O PHE A 497 0.356 -4.491 -2.595 1.00 0.67 O ATOM 593 CB PHE A 497 -2.509 -3.380 -3.529 1.00 0.84 C ATOM 594 CG PHE A 497 -3.050 -3.068 -4.895 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.204 -2.704 -5.927 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.409 -3.149 -5.146 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.700 -2.427 -7.184 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.913 -2.872 -6.401 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.044 -2.472 -7.418 1.00 1.82 C ATOM 0 H PHE A 497 -3.848 -5.389 -2.900 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.448 -5.057 -4.354 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.313 -3.278 -2.800 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.751 -2.640 -3.273 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.141 -2.636 -5.746 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.083 -3.432 -4.351 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -2.022 -2.174 -7.986 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.971 -2.964 -6.595 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.434 -2.199 -8.387 1.00 1.82 H new ATOM 609 N HIS A 498 -1.213 -5.090 -1.105 1.00 0.57 N ATOM 610 CA HIS A 498 -0.287 -5.120 0.012 1.00 0.62 C ATOM 611 C HIS A 498 0.651 -6.300 -0.144 1.00 0.54 C ATOM 612 O HIS A 498 1.871 -6.145 -0.116 1.00 0.56 O ATOM 613 CB HIS A 498 -1.036 -5.202 1.347 1.00 0.75 C ATOM 614 CG HIS A 498 -0.127 -5.288 2.539 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.341 -6.152 3.588 1.00 1.62 N ATOM 616 CD2 HIS A 498 1.012 -4.615 2.838 1.00 1.49 C ATOM 617 CE1 HIS A 498 0.622 -6.010 4.476 1.00 1.85 C ATOM 618 NE2 HIS A 498 1.459 -5.085 4.048 1.00 1.69 N ATOM 0 H HIS A 498 -2.174 -5.334 -0.864 1.00 0.57 H new ATOM 0 HA HIS A 498 0.291 -4.196 0.014 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -1.676 -4.325 1.450 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -1.690 -6.074 1.335 1.00 0.75 H new ATOM 0 HD1 HIS A 498 -1.124 -6.802 3.666 1.00 1.62 H new ATOM 0 HD2 HIS A 498 1.481 -3.851 2.236 1.00 1.49 H new ATOM 0 HE1 HIS A 498 0.711 -6.560 5.401 1.00 1.85 H new ATOM 627 N GLN A 499 0.072 -7.479 -0.328 1.00 0.54 N ATOM 628 CA GLN A 499 0.859 -8.673 -0.575 1.00 0.60 C ATOM 629 C GLN A 499 1.651 -8.512 -1.860 1.00 0.53 C ATOM 630 O GLN A 499 2.711 -9.102 -2.014 1.00 0.54 O ATOM 631 CB GLN A 499 -0.027 -9.912 -0.665 1.00 0.77 C ATOM 632 CG GLN A 499 -0.763 -10.229 0.624 1.00 1.43 C ATOM 633 CD GLN A 499 -1.510 -11.547 0.562 1.00 2.00 C ATOM 634 OE1 GLN A 499 -1.683 -12.224 1.577 1.00 2.63 O ATOM 635 NE2 GLN A 499 -1.946 -11.927 -0.628 1.00 2.58 N ATOM 0 H GLN A 499 -0.936 -7.631 -0.310 1.00 0.54 H new ATOM 0 HA GLN A 499 1.544 -8.806 0.263 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -0.755 -9.770 -1.464 1.00 0.77 H new ATOM 0 HB3 GLN A 499 0.588 -10.768 -0.942 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -0.049 -10.259 1.447 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -1.468 -9.427 0.842 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -1.782 -11.337 -1.444 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -2.446 -12.810 -0.730 1.00 2.58 H new ATOM 644 N MET A 500 1.129 -7.691 -2.767 1.00 0.54 N ATOM 645 CA MET A 500 1.790 -7.427 -4.032 1.00 0.63 C ATOM 646 C MET A 500 3.189 -6.870 -3.781 1.00 0.57 C ATOM 647 O MET A 500 4.187 -7.426 -4.252 1.00 0.58 O ATOM 648 CB MET A 500 0.959 -6.454 -4.881 1.00 0.80 C ATOM 649 CG MET A 500 1.352 -6.404 -6.355 1.00 1.26 C ATOM 650 SD MET A 500 2.899 -5.525 -6.666 1.00 1.91 S ATOM 651 CE MET A 500 2.488 -3.883 -6.077 1.00 2.52 C ATOM 0 H MET A 500 0.245 -7.197 -2.644 1.00 0.54 H new ATOM 0 HA MET A 500 1.882 -8.362 -4.585 1.00 0.63 H new ATOM 0 HB2 MET A 500 -0.092 -6.734 -4.808 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.052 -5.453 -4.459 1.00 0.80 H new ATOM 0 HG2 MET A 500 1.441 -7.423 -6.733 1.00 1.26 H new ATOM 0 HG3 MET A 500 0.552 -5.924 -6.919 1.00 1.26 H new ATOM 0 HE1 MET A 500 2.867 -3.139 -6.778 1.00 2.52 H new ATOM 0 HE2 MET A 500 1.405 -3.786 -5.996 1.00 2.52 H new ATOM 0 HE3 MET A 500 2.941 -3.723 -5.098 1.00 2.52 H new ATOM 661 N LEU A 501 3.269 -5.786 -3.013 1.00 0.59 N ATOM 662 CA LEU A 501 4.565 -5.205 -2.698 1.00 0.65 C ATOM 663 C LEU A 501 5.339 -6.090 -1.736 1.00 0.56 C ATOM 664 O LEU A 501 6.555 -6.056 -1.722 1.00 0.62 O ATOM 665 CB LEU A 501 4.445 -3.774 -2.160 1.00 0.85 C ATOM 666 CG LEU A 501 3.576 -3.580 -0.913 1.00 1.30 C ATOM 667 CD1 LEU A 501 4.359 -3.866 0.360 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.015 -2.172 -0.881 1.00 1.91 C ATOM 0 H LEU A 501 2.468 -5.303 -2.606 1.00 0.59 H new ATOM 0 HA LEU A 501 5.124 -5.146 -3.632 1.00 0.65 H new ATOM 0 HB2 LEU A 501 5.447 -3.409 -1.937 1.00 0.85 H new ATOM 0 HB3 LEU A 501 4.046 -3.144 -2.955 1.00 0.85 H new ATOM 0 HG LEU A 501 2.752 -4.291 -0.964 1.00 1.30 H new ATOM 0 HD11 LEU A 501 3.713 -3.719 1.225 1.00 2.09 H new ATOM 0 HD12 LEU A 501 4.715 -4.896 0.344 1.00 2.09 H new ATOM 0 HD13 LEU A 501 5.210 -3.188 0.423 1.00 2.09 H new ATOM 0 HD21 LEU A 501 2.399 -2.046 0.009 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.835 -1.454 -0.860 1.00 1.91 H new ATOM 0 HD23 LEU A 501 2.407 -2.002 -1.770 1.00 1.91 H new ATOM 680 N VAL A 502 4.647 -6.887 -0.934 1.00 0.53 N ATOM 681 CA VAL A 502 5.333 -7.858 -0.090 1.00 0.64 C ATOM 682 C VAL A 502 6.097 -8.849 -0.966 1.00 0.61 C ATOM 683 O VAL A 502 7.272 -9.127 -0.733 1.00 0.73 O ATOM 684 CB VAL A 502 4.362 -8.615 0.843 1.00 0.86 C ATOM 685 CG1 VAL A 502 5.099 -9.692 1.622 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.683 -7.652 1.804 1.00 1.02 C ATOM 0 H VAL A 502 3.631 -6.883 -0.849 1.00 0.53 H new ATOM 0 HA VAL A 502 6.028 -7.310 0.546 1.00 0.64 H new ATOM 0 HB VAL A 502 3.600 -9.089 0.225 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.398 -10.214 2.273 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.546 -10.402 0.927 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.882 -9.233 2.225 1.00 1.11 H new ATOM 0 HG21 VAL A 502 3.003 -8.204 2.453 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.437 -7.151 2.411 1.00 1.02 H new ATOM 0 HG23 VAL A 502 3.121 -6.909 1.238 1.00 1.02 H new ATOM 696 N LYS A 503 5.427 -9.343 -2.000 1.00 0.58 N ATOM 697 CA LYS A 503 6.038 -10.255 -2.961 1.00 0.71 C ATOM 698 C LYS A 503 7.192 -9.579 -3.695 1.00 0.69 C ATOM 699 O LYS A 503 8.206 -10.210 -3.988 1.00 0.84 O ATOM 700 CB LYS A 503 4.989 -10.727 -3.971 1.00 0.88 C ATOM 701 CG LYS A 503 3.869 -11.556 -3.351 1.00 1.35 C ATOM 702 CD LYS A 503 2.592 -11.537 -4.190 1.00 1.44 C ATOM 703 CE LYS A 503 2.680 -12.410 -5.438 1.00 2.04 C ATOM 704 NZ LYS A 503 3.626 -11.874 -6.453 1.00 2.54 N ATOM 0 H LYS A 503 4.450 -9.125 -2.196 1.00 0.58 H new ATOM 0 HA LYS A 503 6.431 -11.113 -2.416 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.555 -9.857 -4.464 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.481 -11.318 -4.743 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.207 -12.586 -3.233 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.650 -11.176 -2.353 1.00 1.35 H new ATOM 0 HD2 LYS A 503 1.757 -11.875 -3.576 1.00 1.44 H new ATOM 0 HD3 LYS A 503 2.375 -10.511 -4.487 1.00 1.44 H new ATOM 0 HE2 LYS A 503 2.993 -13.414 -5.152 1.00 2.04 H new ATOM 0 HE3 LYS A 503 1.689 -12.499 -5.883 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 3.247 -12.046 -7.406 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 3.748 -10.851 -6.308 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 4.546 -12.349 -6.355 1.00 2.54 H new ATOM 718 N ILE A 504 7.026 -8.297 -4.003 1.00 0.62 N ATOM 719 CA ILE A 504 8.048 -7.552 -4.732 1.00 0.73 C ATOM 720 C ILE A 504 9.184 -7.078 -3.814 1.00 0.73 C ATOM 721 O ILE A 504 10.300 -7.600 -3.859 1.00 0.85 O ATOM 722 CB ILE A 504 7.439 -6.332 -5.465 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.368 -6.786 -6.464 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.519 -5.526 -6.180 1.00 1.34 C ATOM 725 CD1 ILE A 504 6.889 -7.715 -7.542 1.00 1.75 C ATOM 0 H ILE A 504 6.198 -7.754 -3.761 1.00 0.62 H new ATOM 0 HA ILE A 504 8.464 -8.242 -5.466 1.00 0.73 H new ATOM 0 HB ILE A 504 6.973 -5.690 -4.718 1.00 0.87 H new ATOM 0 HG12 ILE A 504 5.568 -7.288 -5.921 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.930 -5.907 -6.936 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.063 -4.675 -6.686 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.247 -5.168 -5.452 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.020 -6.159 -6.913 1.00 1.34 H new ATOM 0 HD11 ILE A 504 6.073 -7.992 -8.209 1.00 1.75 H new ATOM 0 HD12 ILE A 504 7.668 -7.210 -8.112 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.301 -8.613 -7.081 1.00 1.75 H new ATOM 737 N ILE A 505 8.881 -6.098 -2.983 1.00 0.71 N ATOM 738 CA ILE A 505 9.881 -5.417 -2.166 1.00 0.85 C ATOM 739 C ILE A 505 9.786 -5.806 -0.686 1.00 0.97 C ATOM 740 O ILE A 505 10.564 -5.318 0.133 1.00 1.20 O ATOM 741 CB ILE A 505 9.728 -3.884 -2.292 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.264 -3.478 -2.050 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.208 -3.408 -3.656 1.00 1.83 C ATOM 744 CD1 ILE A 505 7.999 -1.993 -2.167 1.00 2.19 C ATOM 745 OXT ILE A 505 8.900 -6.626 -0.347 1.00 1.58 O ATOM 0 H ILE A 505 7.932 -5.747 -2.852 1.00 0.71 H new ATOM 0 HA ILE A 505 10.856 -5.730 -2.540 1.00 0.85 H new ATOM 0 HB ILE A 505 10.348 -3.405 -1.534 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.631 -4.005 -2.764 1.00 1.49 H new ATOM 0 HG13 ILE A 505 7.967 -3.810 -1.055 1.00 1.49 H new ATOM 0 HG21 ILE A 505 10.092 -2.326 -3.725 1.00 1.83 H new ATOM 0 HG22 ILE A 505 11.258 -3.669 -3.784 1.00 1.83 H new ATOM 0 HG23 ILE A 505 9.617 -3.887 -4.437 1.00 1.83 H new ATOM 0 HD11 ILE A 505 6.943 -1.796 -1.982 1.00 2.19 H new ATOM 0 HD12 ILE A 505 8.602 -1.457 -1.434 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.261 -1.655 -3.170 1.00 2.19 H new