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 32:sc= 0.285 USER MOD Single : A 466 SER OG : rot -84:sc= 1.25 USER MOD Single : A 469 LYS NZ :NH3+ 166:sc= -0.0325 (180deg=-0.227) USER MOD Single : A 470 SER OG : rot -96:sc= 1.2 USER MOD Single : A 471 SER OG : rot 65:sc= 1.23 USER MOD Single : A 478 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 152:sc= -0.134 (180deg=-1.48!) USER MOD Single : A 483 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 489 LYS NZ :NH3+ -158:sc= 0.613 (180deg=0.217) USER MOD Single : A 492 ASN : amide:sc=-0.00659 X(o=-0.0066,f=-0.17) USER MOD Single : A 496 LYS NZ :NH3+ -165:sc= -0.0433 (180deg=-0.315) USER MOD Single : A 498 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-8.2!) USER MOD Single : A 499 GLN : amide:sc= -1.83! C(o=-1.8!,f=-6.9!) USER MOD Single : A 500 MET CE :methyl -161:sc= -0.11 (180deg=-0.617) USER MOD Single : A 503 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0542) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.868 -0.573 8.094 1.00 1.77 N ATOM 2 CA SER A 462 -4.681 -0.397 8.937 1.00 1.60 C ATOM 3 C SER A 462 -3.439 -1.119 8.413 1.00 1.25 C ATOM 4 O SER A 462 -2.349 -0.557 8.439 1.00 1.09 O ATOM 5 CB SER A 462 -4.982 -0.881 10.353 1.00 1.97 C ATOM 6 OG SER A 462 -6.175 -0.297 10.843 1.00 2.70 O ATOM 0 HA SER A 462 -4.453 0.669 8.925 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.075 -1.967 10.358 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.151 -0.629 11.012 1.00 1.97 H new ATOM 0 HG SER A 462 -6.795 -0.146 10.099 1.00 2.70 H new ATOM 14 N VAL A 463 -3.601 -2.351 7.946 1.00 1.25 N ATOM 15 CA VAL A 463 -2.463 -3.145 7.497 1.00 1.07 C ATOM 16 C VAL A 463 -1.698 -2.446 6.374 1.00 0.89 C ATOM 17 O VAL A 463 -0.543 -2.074 6.551 1.00 0.76 O ATOM 18 CB VAL A 463 -2.888 -4.552 7.029 1.00 1.28 C ATOM 19 CG1 VAL A 463 -1.667 -5.400 6.693 1.00 1.28 C ATOM 20 CG2 VAL A 463 -3.730 -5.237 8.090 1.00 1.50 C ATOM 0 H VAL A 463 -4.503 -2.820 7.868 1.00 1.25 H new ATOM 0 HA VAL A 463 -1.807 -3.251 8.361 1.00 1.07 H new ATOM 0 HB VAL A 463 -3.490 -4.442 6.127 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -1.989 -6.388 6.365 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.099 -4.920 5.896 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.038 -5.499 7.578 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.020 -6.228 7.741 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.151 -5.331 9.009 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -4.624 -4.645 8.283 1.00 1.50 H new ATOM 30 N ILE A 464 -2.351 -2.238 5.233 1.00 1.02 N ATOM 31 CA ILE A 464 -1.679 -1.649 4.076 1.00 1.02 C ATOM 32 C ILE A 464 -1.293 -0.198 4.363 1.00 0.88 C ATOM 33 O ILE A 464 -0.211 0.258 3.969 1.00 0.84 O ATOM 34 CB ILE A 464 -2.550 -1.732 2.792 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.807 -1.129 1.595 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.894 -1.045 2.995 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.561 -1.246 0.287 1.00 2.72 C ATOM 0 H ILE A 464 -3.334 -2.465 5.085 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.774 -2.230 3.896 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.741 -2.785 2.583 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.607 -0.076 1.796 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -0.841 -1.623 1.492 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -4.482 -1.119 2.080 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.430 -1.529 3.811 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -3.733 0.005 3.239 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -1.973 -0.797 -0.513 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -2.738 -2.298 0.062 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -3.516 -0.727 0.370 1.00 2.72 H new ATOM 49 N ARG A 465 -2.170 0.501 5.086 1.00 0.94 N ATOM 50 CA ARG A 465 -1.937 1.889 5.460 1.00 0.95 C ATOM 51 C ARG A 465 -0.623 2.039 6.211 1.00 0.83 C ATOM 52 O ARG A 465 0.207 2.871 5.855 1.00 0.90 O ATOM 53 CB ARG A 465 -3.089 2.411 6.323 1.00 1.18 C ATOM 54 CG ARG A 465 -2.826 3.782 6.925 1.00 1.57 C ATOM 55 CD ARG A 465 -4.053 4.325 7.636 1.00 1.81 C ATOM 56 NE ARG A 465 -4.555 3.410 8.664 1.00 2.13 N ATOM 57 CZ ARG A 465 -5.731 3.558 9.272 1.00 2.61 C ATOM 58 NH1 ARG A 465 -6.436 4.663 9.075 1.00 2.88 N ATOM 59 NH2 ARG A 465 -6.175 2.629 10.112 1.00 3.37 N ATOM 0 H ARG A 465 -3.054 0.121 5.424 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.882 2.477 4.544 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.994 2.457 5.717 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.280 1.701 7.127 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.996 3.718 7.628 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.525 4.474 6.138 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -3.809 5.283 8.095 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.840 4.512 6.905 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.972 2.616 8.929 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -6.077 5.394 8.461 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -7.337 4.782 9.538 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -5.614 1.797 10.294 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -7.076 2.748 10.574 1.00 3.37 H new ATOM 73 N SER A 466 -0.434 1.231 7.244 1.00 0.80 N ATOM 74 CA SER A 466 0.775 1.300 8.045 1.00 0.87 C ATOM 75 C SER A 466 1.983 0.804 7.256 1.00 0.85 C ATOM 76 O SER A 466 3.060 1.398 7.328 1.00 1.03 O ATOM 77 CB SER A 466 0.614 0.490 9.333 1.00 0.96 C ATOM 78 OG SER A 466 0.195 -0.836 9.061 1.00 1.63 O ATOM 0 H SER A 466 -1.102 0.522 7.545 1.00 0.80 H new ATOM 0 HA SER A 466 0.944 2.344 8.308 1.00 0.87 H new ATOM 0 HB2 SER A 466 1.561 0.470 9.873 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.113 0.977 9.982 1.00 0.96 H new ATOM 0 HG SER A 466 -0.779 -0.857 8.958 1.00 1.63 H new ATOM 84 N ILE A 467 1.790 -0.270 6.492 1.00 0.78 N ATOM 85 CA ILE A 467 2.877 -0.875 5.731 1.00 0.91 C ATOM 86 C ILE A 467 3.551 0.142 4.820 1.00 0.96 C ATOM 87 O ILE A 467 4.732 0.445 5.002 1.00 1.18 O ATOM 88 CB ILE A 467 2.410 -2.098 4.901 1.00 1.02 C ATOM 89 CG1 ILE A 467 2.047 -3.263 5.828 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.488 -2.533 3.911 1.00 1.24 C ATOM 91 CD1 ILE A 467 3.182 -3.707 6.727 1.00 1.59 C ATOM 0 H ILE A 467 0.890 -0.738 6.385 1.00 0.78 H new ATOM 0 HA ILE A 467 3.602 -1.227 6.465 1.00 0.91 H new ATOM 0 HB ILE A 467 1.525 -1.804 4.336 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.199 -2.971 6.447 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.724 -4.110 5.222 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.134 -3.393 3.342 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.708 -1.712 3.229 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.393 -2.805 4.455 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.848 -4.535 7.353 1.00 1.59 H new ATOM 0 HD12 ILE A 467 4.025 -4.031 6.116 1.00 1.59 H new ATOM 0 HD13 ILE A 467 3.491 -2.875 7.360 1.00 1.59 H new ATOM 103 N ILE A 468 2.816 0.702 3.860 1.00 0.87 N ATOM 104 CA ILE A 468 3.457 1.615 2.919 1.00 0.99 C ATOM 105 C ILE A 468 3.930 2.861 3.625 1.00 1.08 C ATOM 106 O ILE A 468 5.064 3.281 3.431 1.00 1.27 O ATOM 107 CB ILE A 468 2.600 1.978 1.673 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.244 2.602 2.037 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.397 0.752 0.804 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.396 2.919 0.827 1.00 1.65 C ATOM 0 H ILE A 468 1.818 0.548 3.716 1.00 0.87 H new ATOM 0 HA ILE A 468 4.312 1.066 2.525 1.00 0.99 H new ATOM 0 HB ILE A 468 3.154 2.735 1.119 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.698 1.918 2.687 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.412 3.517 2.606 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.796 1.018 -0.065 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.365 0.375 0.474 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.884 -0.020 1.378 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.549 3.357 1.149 1.00 1.65 H new ATOM 0 HD12 ILE A 468 0.924 3.626 0.187 1.00 1.65 H new ATOM 0 HD13 ILE A 468 0.200 2.003 0.270 1.00 1.65 H new ATOM 122 N LYS A 469 3.098 3.384 4.501 1.00 1.04 N ATOM 123 CA LYS A 469 3.423 4.581 5.253 1.00 1.27 C ATOM 124 C LYS A 469 4.787 4.473 5.940 1.00 1.47 C ATOM 125 O LYS A 469 5.542 5.444 5.988 1.00 1.68 O ATOM 126 CB LYS A 469 2.339 4.834 6.288 1.00 1.35 C ATOM 127 CG LYS A 469 2.623 6.018 7.170 1.00 1.75 C ATOM 128 CD LYS A 469 1.545 6.188 8.226 1.00 1.96 C ATOM 129 CE LYS A 469 1.781 7.421 9.081 1.00 2.66 C ATOM 130 NZ LYS A 469 1.719 8.674 8.286 1.00 2.97 N ATOM 0 H LYS A 469 2.180 2.994 4.713 1.00 1.04 H new ATOM 0 HA LYS A 469 3.476 5.415 4.554 1.00 1.27 H new ATOM 0 HB2 LYS A 469 1.388 4.990 5.778 1.00 1.35 H new ATOM 0 HB3 LYS A 469 2.225 3.946 6.909 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.592 5.891 7.653 1.00 1.75 H new ATOM 0 HG3 LYS A 469 2.686 6.921 6.562 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.571 6.262 7.742 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.518 5.304 8.863 1.00 1.96 H new ATOM 0 HE2 LYS A 469 1.035 7.459 9.875 1.00 2.66 H new ATOM 0 HE3 LYS A 469 2.756 7.346 9.563 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 1.647 9.489 8.928 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 2.580 8.762 7.709 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 0.886 8.649 7.664 1.00 2.97 H new ATOM 144 N SER A 470 5.101 3.296 6.471 1.00 1.46 N ATOM 145 CA SER A 470 6.366 3.092 7.162 1.00 1.71 C ATOM 146 C SER A 470 7.464 2.615 6.208 1.00 1.82 C ATOM 147 O SER A 470 8.652 2.722 6.522 1.00 2.10 O ATOM 148 CB SER A 470 6.183 2.095 8.309 1.00 1.74 C ATOM 149 OG SER A 470 5.589 0.887 7.855 1.00 2.10 O ATOM 0 H SER A 470 4.499 2.473 6.436 1.00 1.46 H new ATOM 0 HA SER A 470 6.683 4.052 7.569 1.00 1.71 H new ATOM 0 HB2 SER A 470 7.150 1.879 8.763 1.00 1.74 H new ATOM 0 HB3 SER A 470 5.559 2.540 9.084 1.00 1.74 H new ATOM 0 HG SER A 470 4.622 0.918 8.013 1.00 2.10 H new ATOM 155 N SER A 471 7.068 2.103 5.044 1.00 1.68 N ATOM 156 CA SER A 471 8.026 1.577 4.077 1.00 1.90 C ATOM 157 C SER A 471 8.958 2.666 3.549 1.00 1.57 C ATOM 158 O SER A 471 8.520 3.641 2.942 1.00 1.83 O ATOM 159 CB SER A 471 7.291 0.906 2.917 1.00 2.65 C ATOM 160 OG SER A 471 6.612 -0.259 3.358 1.00 3.40 O ATOM 0 H SER A 471 6.093 2.042 4.749 1.00 1.68 H new ATOM 0 HA SER A 471 8.640 0.838 4.592 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.578 1.605 2.480 1.00 2.65 H new ATOM 0 HB3 SER A 471 8.002 0.644 2.133 1.00 2.65 H new ATOM 0 HG SER A 471 5.910 -0.008 3.994 1.00 3.40 H new ATOM 166 N ARG A 472 10.254 2.486 3.784 1.00 1.77 N ATOM 167 CA ARG A 472 11.252 3.451 3.344 1.00 1.99 C ATOM 168 C ARG A 472 11.923 3.017 2.048 1.00 1.90 C ATOM 169 O ARG A 472 12.914 3.609 1.624 1.00 2.38 O ATOM 170 CB ARG A 472 12.294 3.693 4.435 1.00 2.75 C ATOM 171 CG ARG A 472 11.783 4.605 5.532 1.00 3.26 C ATOM 172 CD ARG A 472 11.349 5.940 4.951 1.00 3.92 C ATOM 173 NE ARG A 472 10.654 6.776 5.925 1.00 4.22 N ATOM 174 CZ ARG A 472 10.560 8.098 5.828 1.00 4.90 C ATOM 175 NH1 ARG A 472 11.116 8.731 4.801 1.00 5.31 N ATOM 176 NH2 ARG A 472 9.892 8.790 6.744 1.00 5.50 N ATOM 0 H ARG A 472 10.637 1.679 4.277 1.00 1.77 H new ATOM 0 HA ARG A 472 10.732 4.389 3.148 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.590 2.738 4.869 1.00 2.75 H new ATOM 0 HB3 ARG A 472 13.187 4.131 3.989 1.00 2.75 H new ATOM 0 HG2 ARG A 472 10.944 4.134 6.044 1.00 3.26 H new ATOM 0 HG3 ARG A 472 12.563 4.762 6.277 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.225 6.472 4.580 1.00 3.92 H new ATOM 0 HD3 ARG A 472 10.696 5.765 4.096 1.00 3.92 H new ATOM 0 HE ARG A 472 10.216 6.320 6.725 1.00 4.22 H new ATOM 0 HH11 ARG A 472 11.616 8.202 4.086 1.00 5.31 H new ATOM 0 HH12 ARG A 472 11.043 9.746 4.727 1.00 5.31 H new ATOM 0 HH21 ARG A 472 9.449 8.307 7.525 1.00 5.50 H new ATOM 0 HH22 ARG A 472 9.822 9.805 6.666 1.00 5.50 H new ATOM 190 N LEU A 473 11.386 1.978 1.430 1.00 1.57 N ATOM 191 CA LEU A 473 11.815 1.592 0.095 1.00 1.68 C ATOM 192 C LEU A 473 11.045 2.405 -0.932 1.00 1.46 C ATOM 193 O LEU A 473 11.610 2.946 -1.879 1.00 2.00 O ATOM 194 CB LEU A 473 11.601 0.089 -0.156 1.00 2.11 C ATOM 195 CG LEU A 473 10.171 -0.446 0.041 1.00 1.80 C ATOM 196 CD1 LEU A 473 9.975 -1.707 -0.784 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.909 -0.752 1.506 1.00 2.17 C ATOM 0 H LEU A 473 10.655 1.389 1.829 1.00 1.57 H new ATOM 0 HA LEU A 473 12.883 1.792 0.005 1.00 1.68 H new ATOM 0 HB2 LEU A 473 11.910 -0.133 -1.177 1.00 2.11 H new ATOM 0 HB3 LEU A 473 12.266 -0.465 0.506 1.00 2.11 H new ATOM 0 HG LEU A 473 9.468 0.320 -0.288 1.00 1.80 H new ATOM 0 HD11 LEU A 473 8.961 -2.082 -0.641 1.00 2.32 H new ATOM 0 HD12 LEU A 473 10.133 -1.480 -1.838 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.690 -2.465 -0.465 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.893 -1.129 1.623 1.00 2.17 H new ATOM 0 HD22 LEU A 473 10.617 -1.504 1.853 1.00 2.17 H new ATOM 0 HD23 LEU A 473 10.029 0.157 2.095 1.00 2.17 H new ATOM 209 N GLU A 474 9.750 2.512 -0.701 1.00 1.28 N ATOM 210 CA GLU A 474 8.855 3.213 -1.599 1.00 1.36 C ATOM 211 C GLU A 474 8.371 4.500 -0.936 1.00 1.06 C ATOM 212 O GLU A 474 7.349 4.491 -0.265 1.00 1.14 O ATOM 213 CB GLU A 474 7.647 2.321 -1.919 1.00 1.92 C ATOM 214 CG GLU A 474 7.999 0.907 -2.364 1.00 2.48 C ATOM 215 CD GLU A 474 8.739 0.855 -3.686 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.093 1.001 -4.740 1.00 3.36 O ATOM 217 OE2 GLU A 474 9.976 0.684 -3.675 1.00 3.47 O ATOM 0 H GLU A 474 9.289 2.114 0.117 1.00 1.28 H new ATOM 0 HA GLU A 474 9.385 3.455 -2.521 1.00 1.36 H new ATOM 0 HB2 GLU A 474 7.012 2.261 -1.035 1.00 1.92 H new ATOM 0 HB3 GLU A 474 7.058 2.798 -2.703 1.00 1.92 H new ATOM 0 HG2 GLU A 474 8.611 0.435 -1.596 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.083 0.322 -2.446 1.00 2.48 H new ATOM 224 N GLU A 475 9.094 5.600 -1.109 1.00 0.94 N ATOM 225 CA GLU A 475 8.747 6.840 -0.415 1.00 0.84 C ATOM 226 C GLU A 475 7.647 7.601 -1.156 1.00 0.73 C ATOM 227 O GLU A 475 6.532 7.759 -0.646 1.00 0.73 O ATOM 228 CB GLU A 475 9.982 7.721 -0.231 1.00 1.20 C ATOM 229 CG GLU A 475 9.728 8.935 0.648 1.00 1.66 C ATOM 230 CD GLU A 475 10.992 9.701 0.965 1.00 2.13 C ATOM 231 OE1 GLU A 475 11.734 9.284 1.875 1.00 2.49 O ATOM 232 OE2 GLU A 475 11.252 10.724 0.299 1.00 2.79 O ATOM 0 H GLU A 475 9.913 5.662 -1.714 1.00 0.94 H new ATOM 0 HA GLU A 475 8.364 6.574 0.570 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.783 7.125 0.207 1.00 1.20 H new ATOM 0 HB3 GLU A 475 10.331 8.055 -1.208 1.00 1.20 H new ATOM 0 HG2 GLU A 475 9.022 9.598 0.149 1.00 1.66 H new ATOM 0 HG3 GLU A 475 9.260 8.613 1.578 1.00 1.66 H new ATOM 239 N ASP A 476 7.943 8.071 -2.359 1.00 0.88 N ATOM 240 CA ASP A 476 6.919 8.727 -3.162 1.00 0.98 C ATOM 241 C ASP A 476 5.833 7.723 -3.488 1.00 0.85 C ATOM 242 O ASP A 476 4.667 8.076 -3.624 1.00 0.84 O ATOM 243 CB ASP A 476 7.480 9.306 -4.459 1.00 1.36 C ATOM 244 CG ASP A 476 8.043 8.240 -5.376 1.00 2.00 C ATOM 245 OD1 ASP A 476 9.205 7.836 -5.182 1.00 2.43 O ATOM 246 OD2 ASP A 476 7.333 7.820 -6.312 1.00 2.63 O ATOM 0 H ASP A 476 8.863 8.013 -2.795 1.00 0.88 H new ATOM 0 HA ASP A 476 6.519 9.558 -2.581 1.00 0.98 H new ATOM 0 HB2 ASP A 476 6.692 9.850 -4.981 1.00 1.36 H new ATOM 0 HB3 ASP A 476 8.262 10.027 -4.222 1.00 1.36 H new ATOM 251 N ARG A 477 6.235 6.464 -3.595 1.00 0.89 N ATOM 252 CA ARG A 477 5.303 5.382 -3.824 1.00 0.96 C ATOM 253 C ARG A 477 4.330 5.241 -2.667 1.00 0.80 C ATOM 254 O ARG A 477 3.141 5.169 -2.894 1.00 0.85 O ATOM 255 CB ARG A 477 6.039 4.073 -4.031 1.00 1.23 C ATOM 256 CG ARG A 477 5.869 3.477 -5.413 1.00 1.57 C ATOM 257 CD ARG A 477 6.421 4.391 -6.500 1.00 1.89 C ATOM 258 NE ARG A 477 7.658 5.065 -6.094 1.00 1.95 N ATOM 259 CZ ARG A 477 8.867 4.499 -6.110 1.00 2.54 C ATOM 260 NH1 ARG A 477 9.007 3.228 -6.461 1.00 2.96 N ATOM 261 NH2 ARG A 477 9.931 5.211 -5.759 1.00 2.98 N ATOM 0 H ARG A 477 7.210 6.171 -3.525 1.00 0.89 H new ATOM 0 HA ARG A 477 4.740 5.622 -4.726 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.101 4.233 -3.845 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.690 3.352 -3.291 1.00 1.23 H new ATOM 0 HG2 ARG A 477 6.376 2.513 -5.457 1.00 1.57 H new ATOM 0 HG3 ARG A 477 4.812 3.289 -5.599 1.00 1.57 H new ATOM 0 HD2 ARG A 477 6.609 3.806 -7.401 1.00 1.89 H new ATOM 0 HD3 ARG A 477 5.671 5.139 -6.756 1.00 1.89 H new ATOM 0 HE ARG A 477 7.590 6.032 -5.778 1.00 1.95 H new ATOM 0 HH11 ARG A 477 8.189 2.677 -6.721 1.00 2.96 H new ATOM 0 HH12 ARG A 477 9.933 2.801 -6.471 1.00 2.96 H new ATOM 0 HH21 ARG A 477 9.823 6.186 -5.479 1.00 2.98 H new ATOM 0 HH22 ARG A 477 10.857 4.783 -5.769 1.00 2.98 H new ATOM 275 N LYS A 478 4.823 5.182 -1.429 1.00 0.77 N ATOM 276 CA LYS A 478 3.921 5.075 -0.283 1.00 0.90 C ATOM 277 C LYS A 478 2.958 6.258 -0.236 1.00 0.74 C ATOM 278 O LYS A 478 1.772 6.094 0.053 1.00 0.80 O ATOM 279 CB LYS A 478 4.687 4.952 1.039 1.00 1.21 C ATOM 280 CG LYS A 478 5.462 6.190 1.477 1.00 1.27 C ATOM 281 CD LYS A 478 6.354 5.881 2.672 1.00 1.66 C ATOM 282 CE LYS A 478 7.332 7.005 2.975 1.00 1.97 C ATOM 283 NZ LYS A 478 6.683 8.155 3.654 1.00 2.30 N ATOM 0 H LYS A 478 5.816 5.206 -1.198 1.00 0.77 H new ATOM 0 HA LYS A 478 3.343 4.160 -0.413 1.00 0.90 H new ATOM 0 HB2 LYS A 478 3.977 4.694 1.825 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.386 4.120 0.955 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.070 6.554 0.649 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.765 6.987 1.735 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.732 5.699 3.548 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.909 4.963 2.479 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.136 6.623 3.603 1.00 1.97 H new ATOM 0 HE3 LYS A 478 7.788 7.346 2.046 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.391 8.894 3.839 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 5.932 8.539 3.045 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 6.270 7.839 4.555 1.00 2.30 H new ATOM 297 N ARG A 479 3.470 7.442 -0.540 1.00 0.71 N ATOM 298 CA ARG A 479 2.632 8.634 -0.628 1.00 0.86 C ATOM 299 C ARG A 479 1.570 8.468 -1.712 1.00 0.80 C ATOM 300 O ARG A 479 0.371 8.635 -1.466 1.00 0.90 O ATOM 301 CB ARG A 479 3.484 9.863 -0.937 1.00 1.09 C ATOM 302 CG ARG A 479 4.436 10.251 0.178 1.00 1.22 C ATOM 303 CD ARG A 479 5.272 11.456 -0.213 1.00 1.88 C ATOM 304 NE ARG A 479 6.218 11.836 0.831 1.00 2.47 N ATOM 305 CZ ARG A 479 7.423 12.350 0.585 1.00 3.27 C ATOM 306 NH1 ARG A 479 7.810 12.573 -0.667 1.00 3.65 N ATOM 307 NH2 ARG A 479 8.227 12.661 1.592 1.00 4.14 N ATOM 0 H ARG A 479 4.459 7.605 -0.730 1.00 0.71 H new ATOM 0 HA ARG A 479 2.139 8.770 0.335 1.00 0.86 H new ATOM 0 HB2 ARG A 479 4.060 9.674 -1.843 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.825 10.705 -1.148 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.870 10.475 1.082 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.090 9.411 0.411 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.817 11.235 -1.131 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.614 12.298 -0.428 1.00 1.88 H new ATOM 0 HE ARG A 479 5.942 11.701 1.803 1.00 2.47 H new ATOM 0 HH11 ARG A 479 7.184 12.351 -1.441 1.00 3.65 H new ATOM 0 HH12 ARG A 479 8.732 12.966 -0.853 1.00 3.65 H new ATOM 0 HH21 ARG A 479 7.923 12.507 2.553 1.00 4.14 H new ATOM 0 HH22 ARG A 479 9.149 13.054 1.405 1.00 4.14 H new ATOM 321 N TYR A 480 2.028 8.122 -2.906 1.00 0.83 N ATOM 322 CA TYR A 480 1.163 7.990 -4.067 1.00 1.03 C ATOM 323 C TYR A 480 0.160 6.848 -3.881 1.00 0.82 C ATOM 324 O TYR A 480 -1.036 7.002 -4.127 1.00 0.82 O ATOM 325 CB TYR A 480 2.022 7.743 -5.312 1.00 1.44 C ATOM 326 CG TYR A 480 1.250 7.741 -6.609 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.483 8.835 -6.985 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.299 6.648 -7.464 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.215 8.839 -8.175 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.602 6.645 -8.657 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.154 7.743 -9.008 1.00 2.55 C ATOM 332 OH TYR A 480 -0.849 7.743 -10.198 1.00 2.93 O ATOM 0 H TYR A 480 3.010 7.925 -3.096 1.00 0.83 H new ATOM 0 HA TYR A 480 0.597 8.913 -4.189 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.795 8.510 -5.364 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.531 6.785 -5.204 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.432 9.697 -6.336 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.891 5.787 -7.192 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -0.807 9.698 -8.453 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.649 5.787 -9.311 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.697 6.895 -10.666 1.00 2.93 H new ATOM 342 N LEU A 481 0.659 5.722 -3.395 1.00 0.91 N ATOM 343 CA LEU A 481 -0.116 4.495 -3.292 1.00 1.15 C ATOM 344 C LEU A 481 -1.108 4.571 -2.137 1.00 1.03 C ATOM 345 O LEU A 481 -2.111 3.880 -2.144 1.00 1.19 O ATOM 346 CB LEU A 481 0.826 3.293 -3.119 1.00 1.66 C ATOM 347 CG LEU A 481 0.408 2.001 -3.834 1.00 2.09 C ATOM 348 CD1 LEU A 481 1.569 1.021 -3.863 1.00 2.68 C ATOM 349 CD2 LEU A 481 -0.795 1.357 -3.160 1.00 2.73 C ATOM 0 H LEU A 481 1.618 5.633 -3.059 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.686 4.367 -4.212 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.816 3.578 -3.476 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.920 3.081 -2.054 1.00 1.66 H new ATOM 0 HG LEU A 481 0.126 2.260 -4.854 1.00 2.09 H new ATOM 0 HD11 LEU A 481 1.262 0.108 -4.373 1.00 2.68 H new ATOM 0 HD12 LEU A 481 2.409 1.468 -4.395 1.00 2.68 H new ATOM 0 HD13 LEU A 481 1.870 0.783 -2.843 1.00 2.68 H new ATOM 0 HD21 LEU A 481 -1.065 0.444 -3.692 1.00 2.73 H new ATOM 0 HD22 LEU A 481 -0.547 1.115 -2.127 1.00 2.73 H new ATOM 0 HD23 LEU A 481 -1.636 2.050 -3.178 1.00 2.73 H new ATOM 361 N MET A 482 -0.841 5.407 -1.143 1.00 1.05 N ATOM 362 CA MET A 482 -1.814 5.611 -0.074 1.00 1.49 C ATOM 363 C MET A 482 -2.939 6.487 -0.580 1.00 1.39 C ATOM 364 O MET A 482 -4.106 6.267 -0.254 1.00 1.65 O ATOM 365 CB MET A 482 -1.175 6.228 1.170 1.00 2.05 C ATOM 366 CG MET A 482 -2.139 6.341 2.340 1.00 3.10 C ATOM 367 SD MET A 482 -1.364 6.987 3.832 1.00 4.00 S ATOM 368 CE MET A 482 -2.753 6.954 4.962 1.00 4.93 C ATOM 0 H MET A 482 0.021 5.945 -1.052 1.00 1.05 H new ATOM 0 HA MET A 482 -2.208 4.637 0.218 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.319 5.624 1.469 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.795 7.219 0.923 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.969 6.989 2.058 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.560 5.358 2.553 1.00 3.10 H new ATOM 0 HE1 MET A 482 -2.389 6.833 5.982 1.00 4.93 H new ATOM 0 HE2 MET A 482 -3.308 7.889 4.883 1.00 4.93 H new ATOM 0 HE3 MET A 482 -3.408 6.120 4.709 1.00 4.93 H new ATOM 378 N THR A 483 -2.582 7.465 -1.399 1.00 1.25 N ATOM 379 CA THR A 483 -3.567 8.273 -2.090 1.00 1.59 C ATOM 380 C THR A 483 -4.396 7.380 -3.009 1.00 1.32 C ATOM 381 O THR A 483 -5.585 7.611 -3.230 1.00 1.59 O ATOM 382 CB THR A 483 -2.882 9.386 -2.906 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.931 10.073 -2.080 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.901 10.382 -3.440 1.00 2.46 C ATOM 0 H THR A 483 -1.614 7.716 -1.600 1.00 1.25 H new ATOM 0 HA THR A 483 -4.219 8.745 -1.355 1.00 1.59 H new ATOM 0 HB THR A 483 -2.375 8.924 -3.753 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.113 9.538 -2.008 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.388 11.156 -4.012 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.612 9.865 -4.085 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.434 10.840 -2.606 1.00 2.46 H new ATOM 392 N LEU A 484 -3.744 6.341 -3.518 1.00 0.92 N ATOM 393 CA LEU A 484 -4.401 5.354 -4.364 1.00 0.90 C ATOM 394 C LEU A 484 -5.247 4.376 -3.551 1.00 0.84 C ATOM 395 O LEU A 484 -6.398 4.142 -3.896 1.00 0.91 O ATOM 396 CB LEU A 484 -3.375 4.577 -5.191 1.00 1.15 C ATOM 397 CG LEU A 484 -2.615 5.393 -6.237 1.00 1.69 C ATOM 398 CD1 LEU A 484 -1.662 4.494 -7.006 1.00 2.28 C ATOM 399 CD2 LEU A 484 -3.586 6.084 -7.186 1.00 2.20 C ATOM 0 H LEU A 484 -2.753 6.160 -3.357 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.064 5.903 -5.032 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -2.651 4.128 -4.511 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -3.887 3.759 -5.697 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.034 6.162 -5.728 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.125 5.084 -7.749 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -0.949 4.044 -6.315 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -2.227 3.708 -7.507 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.027 6.660 -7.923 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.193 5.335 -7.695 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.235 6.752 -6.620 1.00 2.20 H new ATOM 411 N LEU A 485 -4.694 3.807 -2.472 1.00 1.02 N ATOM 412 CA LEU A 485 -5.410 2.790 -1.704 1.00 1.47 C ATOM 413 C LEU A 485 -6.674 3.384 -1.110 1.00 1.75 C ATOM 414 O LEU A 485 -7.723 2.738 -1.079 1.00 1.92 O ATOM 415 CB LEU A 485 -4.506 2.177 -0.616 1.00 1.90 C ATOM 416 CG LEU A 485 -4.367 2.951 0.706 1.00 2.48 C ATOM 417 CD1 LEU A 485 -5.484 2.584 1.673 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.017 2.677 1.343 1.00 3.10 C ATOM 0 H LEU A 485 -3.765 4.032 -2.117 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.696 1.980 -2.375 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -4.884 1.181 -0.385 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -3.509 2.050 -1.038 1.00 1.90 H new ATOM 0 HG LEU A 485 -4.442 4.015 0.481 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -5.362 3.145 2.599 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -6.447 2.828 1.225 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -5.443 1.516 1.888 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -2.936 3.233 2.277 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -2.920 1.610 1.546 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -2.224 2.991 0.664 1.00 3.10 H new ATOM 430 N ASP A 486 -6.560 4.632 -0.669 1.00 1.95 N ATOM 431 CA ASP A 486 -7.705 5.395 -0.169 1.00 2.47 C ATOM 432 C ASP A 486 -8.831 5.439 -1.210 1.00 2.33 C ATOM 433 O ASP A 486 -10.010 5.566 -0.870 1.00 2.75 O ATOM 434 CB ASP A 486 -7.259 6.817 0.188 1.00 2.90 C ATOM 435 CG ASP A 486 -8.386 7.671 0.733 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.642 7.613 1.954 1.00 3.72 O ATOM 437 OD2 ASP A 486 -9.036 8.387 -0.061 1.00 3.86 O ATOM 0 H ASP A 486 -5.678 5.144 -0.647 1.00 1.95 H new ATOM 0 HA ASP A 486 -8.090 4.901 0.723 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -6.459 6.766 0.926 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.844 7.295 -0.699 1.00 2.90 H new ATOM 442 N ASP A 487 -8.458 5.314 -2.479 1.00 1.85 N ATOM 443 CA ASP A 487 -9.423 5.328 -3.569 1.00 1.83 C ATOM 444 C ASP A 487 -9.743 3.906 -4.035 1.00 1.35 C ATOM 445 O ASP A 487 -10.741 3.681 -4.721 1.00 1.40 O ATOM 446 CB ASP A 487 -8.891 6.160 -4.739 1.00 2.05 C ATOM 447 CG ASP A 487 -9.940 6.402 -5.809 1.00 2.41 C ATOM 448 OD1 ASP A 487 -10.896 7.160 -5.543 1.00 2.77 O ATOM 449 OD2 ASP A 487 -9.800 5.864 -6.929 1.00 2.59 O ATOM 0 H ASP A 487 -7.489 5.201 -2.778 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.343 5.782 -3.201 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.532 7.119 -4.364 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.036 5.650 -5.183 1.00 2.05 H new ATOM 454 N ILE A 488 -8.913 2.941 -3.640 1.00 1.14 N ATOM 455 CA ILE A 488 -9.128 1.550 -4.022 1.00 1.13 C ATOM 456 C ILE A 488 -10.337 0.997 -3.280 1.00 1.43 C ATOM 457 O ILE A 488 -11.249 0.434 -3.893 1.00 2.27 O ATOM 458 CB ILE A 488 -7.895 0.661 -3.734 1.00 1.34 C ATOM 459 CG1 ILE A 488 -6.685 1.117 -4.561 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.208 -0.800 -4.017 1.00 1.77 C ATOM 461 CD1 ILE A 488 -6.942 1.161 -6.053 1.00 1.67 C ATOM 0 H ILE A 488 -8.090 3.098 -3.058 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.301 1.532 -5.098 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.646 0.764 -2.678 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.381 2.108 -4.225 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -5.850 0.444 -4.366 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.328 -1.408 -3.808 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.032 -1.125 -3.382 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.489 -0.916 -5.064 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.040 1.492 -6.568 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.216 0.166 -6.405 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -7.755 1.856 -6.262 1.00 1.67 H new ATOM 473 N LYS A 489 -10.317 1.172 -1.954 1.00 1.42 N ATOM 474 CA LYS A 489 -11.477 0.936 -1.084 1.00 1.75 C ATOM 475 C LYS A 489 -11.820 -0.548 -0.911 1.00 1.29 C ATOM 476 O LYS A 489 -12.077 -0.998 0.208 1.00 1.88 O ATOM 477 CB LYS A 489 -12.694 1.707 -1.607 1.00 2.46 C ATOM 478 CG LYS A 489 -12.432 3.194 -1.782 1.00 3.04 C ATOM 479 CD LYS A 489 -13.603 3.900 -2.442 1.00 3.88 C ATOM 480 CE LYS A 489 -13.279 5.359 -2.733 1.00 4.70 C ATOM 481 NZ LYS A 489 -12.894 6.100 -1.502 1.00 5.28 N ATOM 0 H LYS A 489 -9.488 1.484 -1.449 1.00 1.42 H new ATOM 0 HA LYS A 489 -11.202 1.303 -0.095 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.000 1.284 -2.564 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -13.526 1.570 -0.917 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -12.237 3.645 -0.809 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -11.535 3.336 -2.385 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -13.861 3.391 -3.371 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -14.477 3.842 -1.794 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -12.466 5.412 -3.458 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -14.145 5.839 -3.189 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -13.042 7.119 -1.649 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -13.479 5.777 -0.705 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -11.891 5.923 -1.290 1.00 5.28 H new ATOM 495 N GLY A 490 -11.833 -1.294 -2.009 1.00 0.91 N ATOM 496 CA GLY A 490 -12.201 -2.698 -1.966 1.00 0.96 C ATOM 497 C GLY A 490 -11.277 -3.510 -1.086 1.00 0.67 C ATOM 498 O GLY A 490 -10.058 -3.399 -1.192 1.00 0.69 O ATOM 0 H GLY A 490 -11.593 -0.948 -2.938 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.223 -2.792 -1.599 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.187 -3.106 -2.977 1.00 0.96 H new ATOM 502 N ALA A 491 -11.859 -4.339 -0.224 1.00 0.70 N ATOM 503 CA ALA A 491 -11.091 -5.111 0.744 1.00 0.84 C ATOM 504 C ALA A 491 -10.149 -6.096 0.057 1.00 0.71 C ATOM 505 O ALA A 491 -8.955 -6.134 0.357 1.00 0.69 O ATOM 506 CB ALA A 491 -12.024 -5.844 1.695 1.00 1.22 C ATOM 0 H ALA A 491 -12.866 -4.493 -0.178 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.479 -4.413 1.315 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.436 -6.416 2.412 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.642 -5.121 2.227 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.663 -6.521 1.128 1.00 1.22 H new ATOM 512 N ASN A 492 -10.684 -6.879 -0.876 1.00 0.73 N ATOM 513 CA ASN A 492 -9.877 -7.881 -1.574 1.00 0.78 C ATOM 514 C ASN A 492 -8.854 -7.217 -2.489 1.00 0.65 C ATOM 515 O ASN A 492 -7.774 -7.760 -2.724 1.00 0.67 O ATOM 516 CB ASN A 492 -10.761 -8.852 -2.371 1.00 1.00 C ATOM 517 CG ASN A 492 -11.595 -8.168 -3.441 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.698 -7.700 -3.171 1.00 2.38 O ATOM 519 ND2 ASN A 492 -11.087 -8.127 -4.662 1.00 2.19 N ATOM 0 H ASN A 492 -11.661 -6.842 -1.165 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.341 -8.455 -0.818 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -10.129 -9.606 -2.840 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.425 -9.376 -1.683 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -11.615 -7.695 -5.420 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.167 -8.527 -4.845 1.00 2.19 H new ATOM 526 N ASP A 493 -9.186 -6.036 -2.994 1.00 0.63 N ATOM 527 CA ASP A 493 -8.263 -5.285 -3.837 1.00 0.69 C ATOM 528 C ASP A 493 -7.080 -4.809 -3.012 1.00 0.62 C ATOM 529 O ASP A 493 -5.923 -4.928 -3.422 1.00 0.66 O ATOM 530 CB ASP A 493 -8.966 -4.088 -4.481 1.00 0.86 C ATOM 531 CG ASP A 493 -10.082 -4.498 -5.417 1.00 1.33 C ATOM 532 OD1 ASP A 493 -9.809 -4.704 -6.616 1.00 1.46 O ATOM 533 OD2 ASP A 493 -11.238 -4.610 -4.958 1.00 1.97 O ATOM 0 H ASP A 493 -10.084 -5.578 -2.836 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.908 -5.943 -4.630 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.371 -3.446 -3.699 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -8.235 -3.496 -5.032 1.00 0.86 H new ATOM 538 N LEU A 494 -7.376 -4.290 -1.830 1.00 0.61 N ATOM 539 CA LEU A 494 -6.345 -3.868 -0.901 1.00 0.69 C ATOM 540 C LEU A 494 -5.467 -5.054 -0.518 1.00 0.57 C ATOM 541 O LEU A 494 -4.243 -4.936 -0.460 1.00 0.56 O ATOM 542 CB LEU A 494 -6.974 -3.248 0.348 1.00 0.91 C ATOM 543 CG LEU A 494 -7.736 -1.942 0.109 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.457 -1.506 1.373 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.787 -0.853 -0.362 1.00 1.77 C ATOM 0 H LEU A 494 -8.328 -4.151 -1.492 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.725 -3.114 -1.386 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.657 -3.973 0.791 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.187 -3.063 1.079 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.479 -2.115 -0.669 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.993 -0.576 1.184 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.165 -2.278 1.673 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.731 -1.350 2.171 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.345 0.069 -0.527 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -6.022 -0.684 0.396 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.312 -1.162 -1.293 1.00 1.77 H new ATOM 557 N ALA A 495 -6.098 -6.199 -0.270 1.00 0.56 N ATOM 558 CA ALA A 495 -5.378 -7.425 0.066 1.00 0.59 C ATOM 559 C ALA A 495 -4.469 -7.857 -1.084 1.00 0.55 C ATOM 560 O ALA A 495 -3.375 -8.398 -0.869 1.00 0.58 O ATOM 561 CB ALA A 495 -6.358 -8.532 0.417 1.00 0.68 C ATOM 0 H ALA A 495 -7.112 -6.304 -0.296 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.750 -7.226 0.935 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.808 -9.440 0.665 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.960 -8.227 1.273 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -7.010 -8.724 -0.435 1.00 0.68 H new ATOM 567 N LYS A 496 -4.922 -7.612 -2.306 1.00 0.59 N ATOM 568 CA LYS A 496 -4.100 -7.849 -3.479 1.00 0.68 C ATOM 569 C LYS A 496 -2.841 -6.996 -3.375 1.00 0.63 C ATOM 570 O LYS A 496 -1.726 -7.497 -3.499 1.00 0.65 O ATOM 571 CB LYS A 496 -4.874 -7.502 -4.755 1.00 0.85 C ATOM 572 CG LYS A 496 -4.613 -8.443 -5.924 1.00 1.29 C ATOM 573 CD LYS A 496 -3.148 -8.459 -6.333 1.00 1.77 C ATOM 574 CE LYS A 496 -2.893 -9.465 -7.445 1.00 2.53 C ATOM 575 NZ LYS A 496 -3.210 -10.856 -7.021 1.00 2.98 N ATOM 0 H LYS A 496 -5.854 -7.250 -2.508 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.827 -8.903 -3.527 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.941 -7.507 -4.531 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -4.617 -6.487 -5.057 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.924 -9.452 -5.652 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.223 -8.140 -6.775 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.851 -7.464 -6.665 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.530 -8.705 -5.469 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -3.496 -9.205 -8.315 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -1.849 -9.409 -7.753 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -2.793 -11.528 -7.696 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -2.817 -11.028 -6.073 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -4.242 -10.985 -6.997 1.00 2.98 H new ATOM 589 N PHE A 497 -3.032 -5.708 -3.095 1.00 0.64 N ATOM 590 CA PHE A 497 -1.912 -4.786 -2.912 1.00 0.70 C ATOM 591 C PHE A 497 -1.101 -5.124 -1.657 1.00 0.62 C ATOM 592 O PHE A 497 0.045 -4.708 -1.525 1.00 0.67 O ATOM 593 CB PHE A 497 -2.402 -3.335 -2.857 1.00 0.84 C ATOM 594 CG PHE A 497 -2.948 -2.837 -4.164 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.124 -2.702 -5.270 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.287 -2.500 -4.286 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.624 -2.238 -6.471 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.793 -2.037 -5.485 1.00 1.72 C ATOM 599 CZ PHE A 497 -3.957 -1.922 -6.587 1.00 1.82 C ATOM 0 H PHE A 497 -3.951 -5.279 -2.990 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.255 -4.899 -3.774 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.175 -3.250 -2.093 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.577 -2.693 -2.549 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.079 -2.963 -5.192 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.942 -2.601 -3.434 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -1.967 -2.123 -7.320 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.835 -1.765 -5.565 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.353 -1.585 -7.534 1.00 1.82 H new ATOM 609 N HIS A 498 -1.696 -5.894 -0.747 1.00 0.57 N ATOM 610 CA HIS A 498 -0.981 -6.375 0.442 1.00 0.62 C ATOM 611 C HIS A 498 0.122 -7.301 -0.008 1.00 0.54 C ATOM 612 O HIS A 498 1.314 -7.042 0.197 1.00 0.56 O ATOM 613 CB HIS A 498 -1.893 -7.170 1.391 1.00 0.75 C ATOM 614 CG HIS A 498 -2.735 -6.367 2.332 1.00 1.03 C ATOM 615 ND1 HIS A 498 -3.382 -5.210 1.981 1.00 1.62 N ATOM 616 CD2 HIS A 498 -3.071 -6.605 3.620 1.00 1.49 C ATOM 617 CE1 HIS A 498 -4.080 -4.769 3.011 1.00 1.85 C ATOM 618 NE2 HIS A 498 -3.912 -5.598 4.021 1.00 1.69 N ATOM 0 H HIS A 498 -2.667 -6.199 -0.807 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.602 -5.503 0.975 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.554 -7.793 0.788 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -1.270 -7.843 1.980 1.00 0.75 H new ATOM 0 HD1 HIS A 498 -3.332 -4.760 1.067 1.00 1.62 H new ATOM 0 HD2 HIS A 498 -2.738 -7.437 4.223 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -4.688 -3.877 3.024 1.00 1.85 H new ATOM 627 N GLN A 499 -0.304 -8.377 -0.655 1.00 0.54 N ATOM 628 CA GLN A 499 0.612 -9.378 -1.161 1.00 0.60 C ATOM 629 C GLN A 499 1.543 -8.757 -2.194 1.00 0.53 C ATOM 630 O GLN A 499 2.684 -9.185 -2.351 1.00 0.54 O ATOM 631 CB GLN A 499 -0.172 -10.543 -1.771 1.00 0.77 C ATOM 632 CG GLN A 499 0.672 -11.766 -2.095 1.00 1.43 C ATOM 633 CD GLN A 499 1.264 -12.428 -0.862 1.00 2.00 C ATOM 634 OE1 GLN A 499 1.572 -11.773 0.134 1.00 2.63 O ATOM 635 NE2 GLN A 499 1.401 -13.739 -0.915 1.00 2.58 N ATOM 0 H GLN A 499 -1.287 -8.576 -0.841 1.00 0.54 H new ATOM 0 HA GLN A 499 1.216 -9.761 -0.338 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -0.962 -10.835 -1.080 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.658 -10.200 -2.684 1.00 0.77 H new ATOM 0 HG2 GLN A 499 0.059 -12.491 -2.630 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.480 -11.475 -2.766 1.00 1.43 H new ATOM 0 HE21 GLN A 499 1.134 -14.246 -1.759 1.00 2.58 H new ATOM 0 HE22 GLN A 499 1.774 -14.246 -0.112 1.00 2.58 H new ATOM 644 N MET A 500 1.052 -7.730 -2.881 1.00 0.54 N ATOM 645 CA MET A 500 1.864 -7.001 -3.840 1.00 0.63 C ATOM 646 C MET A 500 3.110 -6.426 -3.177 1.00 0.57 C ATOM 647 O MET A 500 4.230 -6.693 -3.608 1.00 0.58 O ATOM 648 CB MET A 500 1.070 -5.882 -4.512 1.00 0.80 C ATOM 649 CG MET A 500 0.167 -6.359 -5.638 1.00 1.26 C ATOM 650 SD MET A 500 1.079 -7.165 -6.971 1.00 1.91 S ATOM 651 CE MET A 500 2.192 -5.852 -7.468 1.00 2.52 C ATOM 0 H MET A 500 0.096 -7.387 -2.789 1.00 0.54 H new ATOM 0 HA MET A 500 2.170 -7.713 -4.607 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.462 -5.379 -3.760 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.766 -5.142 -4.906 1.00 0.80 H new ATOM 0 HG2 MET A 500 -0.571 -7.054 -5.237 1.00 1.26 H new ATOM 0 HG3 MET A 500 -0.383 -5.509 -6.042 1.00 1.26 H new ATOM 0 HE1 MET A 500 2.574 -6.058 -8.468 1.00 2.52 H new ATOM 0 HE2 MET A 500 1.656 -4.903 -7.472 1.00 2.52 H new ATOM 0 HE3 MET A 500 3.024 -5.796 -6.767 1.00 2.52 H new ATOM 661 N LEU A 501 2.916 -5.657 -2.113 1.00 0.59 N ATOM 662 CA LEU A 501 4.037 -5.038 -1.411 1.00 0.65 C ATOM 663 C LEU A 501 4.918 -6.097 -0.772 1.00 0.56 C ATOM 664 O LEU A 501 6.134 -5.936 -0.687 1.00 0.62 O ATOM 665 CB LEU A 501 3.546 -4.083 -0.334 1.00 0.85 C ATOM 666 CG LEU A 501 2.458 -3.106 -0.775 1.00 1.30 C ATOM 667 CD1 LEU A 501 1.755 -2.516 0.434 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.049 -2.001 -1.637 1.00 1.91 C ATOM 0 H LEU A 501 1.999 -5.447 -1.718 1.00 0.59 H new ATOM 0 HA LEU A 501 4.616 -4.479 -2.146 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.167 -4.669 0.503 1.00 0.85 H new ATOM 0 HB3 LEU A 501 4.397 -3.511 0.037 1.00 0.85 H new ATOM 0 HG LEU A 501 1.726 -3.652 -1.370 1.00 1.30 H new ATOM 0 HD11 LEU A 501 0.983 -1.822 0.103 1.00 2.09 H new ATOM 0 HD12 LEU A 501 1.298 -3.317 1.016 1.00 2.09 H new ATOM 0 HD13 LEU A 501 2.479 -1.985 1.053 1.00 2.09 H new ATOM 0 HD21 LEU A 501 2.259 -1.315 -1.941 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.801 -1.457 -1.066 1.00 1.91 H new ATOM 0 HD23 LEU A 501 3.511 -2.438 -2.522 1.00 1.91 H new ATOM 680 N VAL A 502 4.299 -7.179 -0.314 1.00 0.53 N ATOM 681 CA VAL A 502 5.045 -8.297 0.250 1.00 0.64 C ATOM 682 C VAL A 502 5.959 -8.919 -0.808 1.00 0.61 C ATOM 683 O VAL A 502 7.049 -9.398 -0.499 1.00 0.73 O ATOM 684 CB VAL A 502 4.101 -9.370 0.843 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.883 -10.564 1.374 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.246 -8.767 1.948 1.00 1.02 C ATOM 0 H VAL A 502 3.287 -7.306 -0.322 1.00 0.53 H new ATOM 0 HA VAL A 502 5.658 -7.908 1.063 1.00 0.64 H new ATOM 0 HB VAL A 502 3.451 -9.724 0.043 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.191 -11.299 1.784 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.453 -11.015 0.562 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.566 -10.233 2.157 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.586 -9.533 2.357 1.00 1.02 H new ATOM 0 HG22 VAL A 502 3.891 -8.384 2.739 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.647 -7.952 1.541 1.00 1.02 H new ATOM 696 N LYS A 503 5.520 -8.891 -2.061 1.00 0.58 N ATOM 697 CA LYS A 503 6.342 -9.365 -3.171 1.00 0.71 C ATOM 698 C LYS A 503 7.332 -8.290 -3.615 1.00 0.69 C ATOM 699 O LYS A 503 8.342 -8.587 -4.252 1.00 0.84 O ATOM 700 CB LYS A 503 5.460 -9.783 -4.348 1.00 0.88 C ATOM 701 CG LYS A 503 4.577 -10.982 -4.051 1.00 1.35 C ATOM 702 CD LYS A 503 3.618 -11.269 -5.195 1.00 1.44 C ATOM 703 CE LYS A 503 2.706 -12.442 -4.879 1.00 2.04 C ATOM 704 NZ LYS A 503 3.451 -13.724 -4.790 1.00 2.54 N ATOM 0 H LYS A 503 4.600 -8.546 -2.335 1.00 0.58 H new ATOM 0 HA LYS A 503 6.906 -10.232 -2.826 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.830 -8.941 -4.636 1.00 0.88 H new ATOM 0 HB3 LYS A 503 6.095 -10.013 -5.203 1.00 0.88 H new ATOM 0 HG2 LYS A 503 5.200 -11.858 -3.870 1.00 1.35 H new ATOM 0 HG3 LYS A 503 4.010 -10.800 -3.138 1.00 1.35 H new ATOM 0 HD2 LYS A 503 3.016 -10.383 -5.397 1.00 1.44 H new ATOM 0 HD3 LYS A 503 4.185 -11.482 -6.101 1.00 1.44 H new ATOM 0 HE2 LYS A 503 2.192 -12.256 -3.936 1.00 2.04 H new ATOM 0 HE3 LYS A 503 1.939 -12.522 -5.650 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 2.777 -14.512 -4.708 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 4.029 -13.850 -5.645 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 4.069 -13.709 -3.954 1.00 2.54 H new ATOM 718 N ILE A 504 7.027 -7.036 -3.293 1.00 0.62 N ATOM 719 CA ILE A 504 7.935 -5.927 -3.579 1.00 0.73 C ATOM 720 C ILE A 504 9.133 -5.943 -2.628 1.00 0.73 C ATOM 721 O ILE A 504 10.267 -5.677 -3.031 1.00 0.85 O ATOM 722 CB ILE A 504 7.216 -4.557 -3.485 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.120 -4.459 -4.550 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.208 -3.411 -3.641 1.00 1.34 C ATOM 725 CD1 ILE A 504 5.334 -3.164 -4.507 1.00 1.75 C ATOM 0 H ILE A 504 6.159 -6.761 -2.834 1.00 0.62 H new ATOM 0 HA ILE A 504 8.287 -6.061 -4.602 1.00 0.73 H new ATOM 0 HB ILE A 504 6.758 -4.479 -2.499 1.00 0.87 H new ATOM 0 HG12 ILE A 504 6.574 -4.564 -5.535 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.431 -5.295 -4.426 1.00 1.30 H new ATOM 0 HG21 ILE A 504 7.679 -2.460 -3.571 1.00 1.34 H new ATOM 0 HG22 ILE A 504 8.957 -3.468 -2.851 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.698 -3.484 -4.612 1.00 1.34 H new ATOM 0 HD11 ILE A 504 4.577 -3.171 -5.292 1.00 1.75 H new ATOM 0 HD12 ILE A 504 4.849 -3.065 -3.536 1.00 1.75 H new ATOM 0 HD13 ILE A 504 6.010 -2.323 -4.662 1.00 1.75 H new ATOM 737 N ILE A 505 8.876 -6.268 -1.369 1.00 0.71 N ATOM 738 CA ILE A 505 9.922 -6.284 -0.352 1.00 0.85 C ATOM 739 C ILE A 505 10.592 -7.652 -0.278 1.00 0.97 C ATOM 740 O ILE A 505 11.819 -7.766 -0.360 1.00 1.20 O ATOM 741 CB ILE A 505 9.357 -5.925 1.042 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.637 -4.572 0.995 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.471 -5.905 2.084 1.00 1.83 C ATOM 744 CD1 ILE A 505 7.983 -4.180 2.304 1.00 2.19 C ATOM 745 OXT ILE A 505 9.845 -8.647 -0.136 1.00 1.58 O ATOM 0 H ILE A 505 7.951 -6.525 -1.025 1.00 0.71 H new ATOM 0 HA ILE A 505 10.659 -5.535 -0.642 1.00 0.85 H new ATOM 0 HB ILE A 505 8.635 -6.690 1.329 1.00 1.10 H new ATOM 0 HG12 ILE A 505 9.353 -3.800 0.712 1.00 1.49 H new ATOM 0 HG13 ILE A 505 7.876 -4.603 0.215 1.00 1.49 H new ATOM 0 HG21 ILE A 505 10.053 -5.650 3.058 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.939 -6.888 2.135 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.218 -5.162 1.804 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.495 -3.212 2.191 1.00 2.19 H new ATOM 0 HD12 ILE A 505 7.242 -4.930 2.580 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.741 -4.115 3.084 1.00 2.19 H new TER 757 ILE A 505