USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 73:sc= 1.16 USER MOD Single : A 460 SER OG : rot 75:sc= 1.2 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0.558 K(o=0.56,f=-0.0066) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -77:sc= 0.279 USER MOD Single : A 498 GLN : amide:sc= 0.445 X(o=0.44,f=-0.014) USER MOD Single : A 504 CYS SG : rot 71:sc= 0.625 USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0.605 USER MOD Single : A 517 SER OG : rot 162:sc= 1.52 USER MOD Single : A 519 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 521 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.19) USER MOD Single : A 523 LYS NZ :NH3+ -161:sc= 0.515 (180deg=0.378) USER MOD Single : A 526 GLN : amide:sc= 1.13 K(o=1.1,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.375 13.738 -8.273 1.00 0.00 N ATOM 80 CA ARG A 441 -1.303 12.360 -8.791 1.00 0.00 C ATOM 81 C ARG A 441 -0.377 11.454 -7.959 1.00 0.00 C ATOM 82 O ARG A 441 -0.360 10.239 -8.164 1.00 0.00 O ATOM 83 CB ARG A 441 -0.873 12.367 -10.267 1.00 0.00 C ATOM 84 CG ARG A 441 -1.952 12.999 -11.160 1.00 0.00 C ATOM 85 CD ARG A 441 -1.650 12.907 -12.661 1.00 0.00 C ATOM 86 NE ARG A 441 -0.496 13.740 -13.047 1.00 0.00 N ATOM 87 CZ ARG A 441 0.747 13.343 -13.306 1.00 0.00 C ATOM 88 NH1 ARG A 441 1.128 12.086 -13.215 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.646 14.233 -13.665 1.00 0.00 N ATOM 0 HA ARG A 441 -2.304 11.938 -8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.060 12.920 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.678 11.346 -10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.906 12.511 -10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.067 14.048 -10.886 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.452 11.869 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.528 13.220 -13.227 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.672 14.742 -13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 441 0.458 11.369 -12.936 1.00 0.00 H new ATOM 0 HH12 ARG A 441 2.093 11.829 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.387 15.217 -13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.602 13.940 -13.866 1.00 0.00 H new ATOM 103 N LYS A 442 0.389 12.017 -7.016 1.00 0.00 N ATOM 104 CA LYS A 442 1.175 11.262 -6.035 1.00 0.00 C ATOM 105 C LYS A 442 0.294 10.765 -4.869 1.00 0.00 C ATOM 106 O LYS A 442 -0.520 11.523 -4.342 1.00 0.00 O ATOM 107 CB LYS A 442 2.353 12.135 -5.556 1.00 0.00 C ATOM 108 CG LYS A 442 3.291 11.375 -4.600 1.00 0.00 C ATOM 109 CD LYS A 442 4.602 12.125 -4.316 1.00 0.00 C ATOM 110 CE LYS A 442 4.365 13.395 -3.488 1.00 0.00 C ATOM 111 NZ LYS A 442 5.640 14.081 -3.151 1.00 0.00 N ATOM 0 H LYS A 442 0.481 13.028 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 442 1.580 10.365 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.921 12.481 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.965 13.021 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.772 11.195 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.523 10.400 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.289 11.467 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.081 12.390 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.722 14.077 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 442 3.837 13.137 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.438 14.934 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.244 13.439 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.132 14.350 -4.027 1.00 0.00 H new ATOM 125 N VAL A 443 0.480 9.514 -4.438 1.00 0.00 N ATOM 126 CA VAL A 443 -0.228 8.905 -3.293 1.00 0.00 C ATOM 127 C VAL A 443 0.750 8.063 -2.470 1.00 0.00 C ATOM 128 O VAL A 443 1.306 7.095 -2.979 1.00 0.00 O ATOM 129 CB VAL A 443 -1.417 8.023 -3.754 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.186 7.446 -2.554 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.406 8.780 -4.656 1.00 0.00 C ATOM 0 H VAL A 443 1.141 8.876 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.630 9.713 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.973 7.214 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.013 6.833 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.515 6.834 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.576 8.262 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.217 8.112 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.815 9.632 -4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.888 9.133 -5.548 1.00 0.00 H new ATOM 141 N PHE A 444 0.951 8.412 -1.199 1.00 0.00 N ATOM 142 CA PHE A 444 1.721 7.601 -0.252 1.00 0.00 C ATOM 143 C PHE A 444 0.903 6.378 0.204 1.00 0.00 C ATOM 144 O PHE A 444 -0.306 6.479 0.426 1.00 0.00 O ATOM 145 CB PHE A 444 2.159 8.486 0.927 1.00 0.00 C ATOM 146 CG PHE A 444 2.767 7.752 2.113 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.937 7.159 3.087 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.163 7.683 2.267 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.492 6.523 4.209 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.721 7.050 3.392 1.00 0.00 C ATOM 151 CZ PHE A 444 3.887 6.468 4.364 1.00 0.00 C ATOM 0 H PHE A 444 0.582 9.272 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 444 2.617 7.212 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.885 9.212 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.293 9.048 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.864 7.194 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.809 8.118 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.847 6.077 4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.794 7.011 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.318 5.981 5.226 1.00 0.00 H new ATOM 161 N VAL A 445 1.576 5.237 0.374 1.00 0.00 N ATOM 162 CA VAL A 445 1.008 3.976 0.878 1.00 0.00 C ATOM 163 C VAL A 445 1.923 3.411 1.960 1.00 0.00 C ATOM 164 O VAL A 445 3.096 3.159 1.689 1.00 0.00 O ATOM 165 CB VAL A 445 0.829 2.934 -0.247 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.233 1.612 0.277 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.079 3.481 -1.352 1.00 0.00 C ATOM 0 H VAL A 445 2.570 5.159 0.157 1.00 0.00 H new ATOM 0 HA VAL A 445 0.021 4.190 1.289 1.00 0.00 H new ATOM 0 HB VAL A 445 1.823 2.733 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.125 0.909 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.896 1.187 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.744 1.804 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.192 2.731 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.057 3.720 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.365 4.382 -1.775 1.00 0.00 H new ATOM 177 N GLY A 446 1.386 3.208 3.167 1.00 0.00 N ATOM 178 CA GLY A 446 2.108 2.665 4.325 1.00 0.00 C ATOM 179 C GLY A 446 1.548 1.325 4.806 1.00 0.00 C ATOM 180 O GLY A 446 0.346 1.079 4.719 1.00 0.00 O ATOM 0 H GLY A 446 0.410 3.422 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.159 2.540 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.065 3.385 5.143 1.00 0.00 H new ATOM 184 N GLY A 447 2.421 0.467 5.342 1.00 0.00 N ATOM 185 CA GLY A 447 2.076 -0.869 5.851 1.00 0.00 C ATOM 186 C GLY A 447 2.243 -1.995 4.827 1.00 0.00 C ATOM 187 O GLY A 447 1.718 -3.088 5.045 1.00 0.00 O ATOM 0 H GLY A 447 3.413 0.685 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.699 -1.087 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.042 -0.858 6.196 1.00 0.00 H new ATOM 191 N LEU A 448 2.950 -1.746 3.716 1.00 0.00 N ATOM 192 CA LEU A 448 3.269 -2.745 2.686 1.00 0.00 C ATOM 193 C LEU A 448 4.042 -3.932 3.308 1.00 0.00 C ATOM 194 O LEU A 448 4.926 -3.692 4.142 1.00 0.00 O ATOM 195 CB LEU A 448 4.113 -2.085 1.572 1.00 0.00 C ATOM 196 CG LEU A 448 3.368 -1.041 0.714 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.367 -0.310 -0.192 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.287 -1.684 -0.169 1.00 0.00 C ATOM 0 H LEU A 448 3.325 -0.822 3.503 1.00 0.00 H new ATOM 0 HA LEU A 448 2.341 -3.125 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.978 -1.605 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.493 -2.867 0.915 1.00 0.00 H new ATOM 0 HG LEU A 448 2.884 -0.345 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.838 0.427 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.114 0.193 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.860 -1.030 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.789 -0.912 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.749 -2.408 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.555 -2.189 0.461 1.00 0.00 H new ATOM 210 N PRO A 449 3.748 -5.192 2.915 1.00 0.00 N ATOM 211 CA PRO A 449 4.508 -6.370 3.336 1.00 0.00 C ATOM 212 C PRO A 449 6.024 -6.233 3.091 1.00 0.00 C ATOM 213 O PRO A 449 6.423 -5.553 2.143 1.00 0.00 O ATOM 214 CB PRO A 449 3.922 -7.530 2.529 1.00 0.00 C ATOM 215 CG PRO A 449 2.473 -7.105 2.310 1.00 0.00 C ATOM 216 CD PRO A 449 2.620 -5.604 2.086 1.00 0.00 C ATOM 0 HA PRO A 449 4.419 -6.520 4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.448 -7.670 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.987 -8.472 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.025 -7.605 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.846 -7.330 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.804 -5.381 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.711 -5.074 2.370 1.00 0.00 H new ATOM 224 N PRO A 450 6.882 -6.881 3.904 1.00 0.00 N ATOM 225 CA PRO A 450 8.340 -6.763 3.816 1.00 0.00 C ATOM 226 C PRO A 450 8.953 -7.551 2.640 1.00 0.00 C ATOM 227 O PRO A 450 10.173 -7.581 2.488 1.00 0.00 O ATOM 228 CB PRO A 450 8.845 -7.280 5.169 1.00 0.00 C ATOM 229 CG PRO A 450 7.826 -8.364 5.515 1.00 0.00 C ATOM 230 CD PRO A 450 6.517 -7.768 5.002 1.00 0.00 C ATOM 0 HA PRO A 450 8.638 -5.734 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.856 -7.682 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.868 -6.491 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 450 8.059 -9.310 5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.790 -8.559 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.839 -8.551 4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 450 6.002 -7.220 5.791 1.00 0.00 H new ATOM 238 N ASP A 451 8.120 -8.188 1.811 1.00 0.00 N ATOM 239 CA ASP A 451 8.486 -9.161 0.777 1.00 0.00 C ATOM 240 C ASP A 451 7.710 -8.946 -0.542 1.00 0.00 C ATOM 241 O ASP A 451 7.674 -9.829 -1.399 1.00 0.00 O ATOM 242 CB ASP A 451 8.287 -10.580 1.352 1.00 0.00 C ATOM 243 CG ASP A 451 6.824 -10.956 1.653 1.00 0.00 C ATOM 244 OD1 ASP A 451 6.004 -10.064 1.979 1.00 0.00 O ATOM 245 OD2 ASP A 451 6.495 -12.162 1.580 1.00 0.00 O ATOM 0 H ASP A 451 7.113 -8.029 1.846 1.00 0.00 H new ATOM 0 HA ASP A 451 9.534 -9.023 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.695 -11.303 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 451 8.867 -10.669 2.271 1.00 0.00 H new ATOM 250 N ILE A 452 7.088 -7.771 -0.711 1.00 0.00 N ATOM 251 CA ILE A 452 6.346 -7.383 -1.922 1.00 0.00 C ATOM 252 C ILE A 452 7.214 -6.550 -2.881 1.00 0.00 C ATOM 253 O ILE A 452 7.916 -5.626 -2.470 1.00 0.00 O ATOM 254 CB ILE A 452 5.026 -6.680 -1.532 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.042 -6.726 -2.718 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.233 -5.238 -1.030 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.642 -6.234 -2.349 1.00 0.00 C ATOM 0 H ILE A 452 7.086 -7.046 0.006 1.00 0.00 H new ATOM 0 HA ILE A 452 6.083 -8.284 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 452 4.602 -7.226 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.433 -6.116 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.976 -7.749 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.268 -4.800 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.874 -5.248 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.703 -4.644 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 452 1.994 -6.290 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.234 -6.860 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.698 -5.201 -2.005 1.00 0.00 H new ATOM 269 N ASP A 453 7.176 -6.890 -4.168 1.00 0.00 N ATOM 270 CA ASP A 453 7.995 -6.270 -5.215 1.00 0.00 C ATOM 271 C ASP A 453 7.278 -5.126 -5.955 1.00 0.00 C ATOM 272 O ASP A 453 6.052 -5.017 -5.934 1.00 0.00 O ATOM 273 CB ASP A 453 8.459 -7.346 -6.202 1.00 0.00 C ATOM 274 CG ASP A 453 7.285 -8.045 -6.898 1.00 0.00 C ATOM 275 OD1 ASP A 453 6.821 -7.518 -7.935 1.00 0.00 O ATOM 276 OD2 ASP A 453 6.842 -9.107 -6.399 1.00 0.00 O ATOM 0 H ASP A 453 6.561 -7.622 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 453 8.855 -5.814 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.105 -6.892 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.058 -8.087 -5.673 1.00 0.00 H new ATOM 281 N GLU A 454 8.067 -4.294 -6.641 1.00 0.00 N ATOM 282 CA GLU A 454 7.628 -3.123 -7.412 1.00 0.00 C ATOM 283 C GLU A 454 6.434 -3.406 -8.345 1.00 0.00 C ATOM 284 O GLU A 454 5.482 -2.626 -8.392 1.00 0.00 O ATOM 285 CB GLU A 454 8.818 -2.617 -8.248 1.00 0.00 C ATOM 286 CG GLU A 454 8.558 -1.247 -8.883 1.00 0.00 C ATOM 287 CD GLU A 454 9.770 -0.804 -9.713 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.754 -0.314 -9.113 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.745 -0.941 -10.959 1.00 0.00 O ATOM 0 H GLU A 454 9.078 -4.423 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 454 7.287 -2.375 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.702 -2.556 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.038 -3.340 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.673 -1.295 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.353 -0.511 -8.105 1.00 0.00 H new ATOM 296 N ASP A 455 6.461 -4.527 -9.073 1.00 0.00 N ATOM 297 CA ASP A 455 5.433 -4.888 -10.054 1.00 0.00 C ATOM 298 C ASP A 455 4.144 -5.401 -9.390 1.00 0.00 C ATOM 299 O ASP A 455 3.059 -5.193 -9.930 1.00 0.00 O ATOM 300 CB ASP A 455 6.006 -5.916 -11.039 1.00 0.00 C ATOM 301 CG ASP A 455 5.068 -6.165 -12.233 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.891 -5.237 -13.059 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.547 -7.298 -12.367 1.00 0.00 O ATOM 0 H ASP A 455 7.207 -5.218 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 455 5.152 -3.987 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 455 6.972 -5.567 -11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.184 -6.856 -10.517 1.00 0.00 H new ATOM 308 N GLU A 456 4.241 -5.992 -8.196 1.00 0.00 N ATOM 309 CA GLU A 456 3.083 -6.329 -7.363 1.00 0.00 C ATOM 310 C GLU A 456 2.503 -5.111 -6.639 1.00 0.00 C ATOM 311 O GLU A 456 1.282 -5.018 -6.517 1.00 0.00 O ATOM 312 CB GLU A 456 3.429 -7.422 -6.344 1.00 0.00 C ATOM 313 CG GLU A 456 3.491 -8.816 -6.969 1.00 0.00 C ATOM 314 CD GLU A 456 2.140 -9.292 -7.530 1.00 0.00 C ATOM 315 OE1 GLU A 456 1.216 -9.581 -6.732 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.003 -9.423 -8.769 1.00 0.00 O ATOM 0 H GLU A 456 5.134 -6.252 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 456 2.320 -6.704 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.390 -7.192 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.685 -7.419 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.229 -8.815 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 456 3.836 -9.528 -6.219 1.00 0.00 H new ATOM 323 N ILE A 457 3.317 -4.136 -6.214 1.00 0.00 N ATOM 324 CA ILE A 457 2.799 -2.847 -5.712 1.00 0.00 C ATOM 325 C ILE A 457 2.091 -2.097 -6.851 1.00 0.00 C ATOM 326 O ILE A 457 1.036 -1.505 -6.630 1.00 0.00 O ATOM 327 CB ILE A 457 3.902 -1.980 -5.055 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.613 -2.707 -3.890 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.288 -0.671 -4.513 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.978 -2.094 -3.553 1.00 0.00 C ATOM 0 H ILE A 457 4.334 -4.210 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 457 2.077 -3.057 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 457 4.641 -1.773 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.977 -2.675 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.745 -3.757 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 457 4.069 -0.066 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.835 -0.115 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.526 -0.907 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.431 -2.645 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.628 -2.150 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.847 -1.051 -3.264 1.00 0.00 H new ATOM 342 N THR A 458 2.610 -2.194 -8.082 1.00 0.00 N ATOM 343 CA THR A 458 1.959 -1.656 -9.285 1.00 0.00 C ATOM 344 C THR A 458 0.652 -2.384 -9.555 1.00 0.00 C ATOM 345 O THR A 458 -0.377 -1.728 -9.643 1.00 0.00 O ATOM 346 CB THR A 458 2.903 -1.701 -10.496 1.00 0.00 C ATOM 347 OG1 THR A 458 4.100 -1.021 -10.191 1.00 0.00 O ATOM 348 CG2 THR A 458 2.302 -1.018 -11.726 1.00 0.00 C ATOM 0 H THR A 458 3.501 -2.652 -8.273 1.00 0.00 H new ATOM 0 HA THR A 458 1.722 -0.607 -9.108 1.00 0.00 H new ATOM 0 HB THR A 458 3.077 -2.754 -10.717 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.631 -1.558 -9.567 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.007 -1.076 -12.555 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.374 -1.518 -12.003 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.096 0.028 -11.497 1.00 0.00 H new ATOM 356 N ALA A 459 0.641 -3.717 -9.617 1.00 0.00 N ATOM 357 CA ALA A 459 -0.580 -4.499 -9.841 1.00 0.00 C ATOM 358 C ALA A 459 -1.632 -4.302 -8.730 1.00 0.00 C ATOM 359 O ALA A 459 -2.831 -4.323 -9.005 1.00 0.00 O ATOM 360 CB ALA A 459 -0.195 -5.975 -9.994 1.00 0.00 C ATOM 0 H ALA A 459 1.480 -4.288 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.055 -4.142 -10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.093 -6.570 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.479 -6.089 -10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.303 -6.317 -9.087 1.00 0.00 H new ATOM 366 N SER A 460 -1.196 -4.034 -7.498 1.00 0.00 N ATOM 367 CA SER A 460 -2.066 -3.709 -6.358 1.00 0.00 C ATOM 368 C SER A 460 -2.828 -2.383 -6.508 1.00 0.00 C ATOM 369 O SER A 460 -3.815 -2.183 -5.796 1.00 0.00 O ATOM 370 CB SER A 460 -1.262 -3.669 -5.052 1.00 0.00 C ATOM 371 OG SER A 460 -0.744 -4.945 -4.710 1.00 0.00 O ATOM 0 H SER A 460 -0.205 -4.036 -7.256 1.00 0.00 H new ATOM 0 HA SER A 460 -2.807 -4.508 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.441 -2.959 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.899 -3.307 -4.245 1.00 0.00 H new ATOM 0 HG SER A 460 0.014 -5.158 -5.294 1.00 0.00 H new ATOM 377 N PHE A 461 -2.433 -1.499 -7.437 1.00 0.00 N ATOM 378 CA PHE A 461 -3.129 -0.233 -7.698 1.00 0.00 C ATOM 379 C PHE A 461 -3.424 0.016 -9.192 1.00 0.00 C ATOM 380 O PHE A 461 -4.149 0.952 -9.525 1.00 0.00 O ATOM 381 CB PHE A 461 -2.349 0.904 -7.023 1.00 0.00 C ATOM 382 CG PHE A 461 -2.390 0.857 -5.502 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.417 0.138 -4.783 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.399 1.542 -4.797 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.453 0.087 -3.379 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.426 1.508 -3.391 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.459 0.775 -2.682 1.00 0.00 C ATOM 0 H PHE A 461 -1.617 -1.645 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.124 -0.283 -7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.310 0.864 -7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.753 1.859 -7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.634 -0.380 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.154 2.095 -5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.709 -0.479 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.193 2.047 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.490 0.741 -1.603 1.00 0.00 H new ATOM 397 N ARG A 462 -2.979 -0.872 -10.093 1.00 0.00 N ATOM 398 CA ARG A 462 -3.286 -0.843 -11.533 1.00 0.00 C ATOM 399 C ARG A 462 -4.791 -0.970 -11.830 1.00 0.00 C ATOM 400 O ARG A 462 -5.250 -0.479 -12.864 1.00 0.00 O ATOM 401 CB ARG A 462 -2.459 -1.930 -12.252 1.00 0.00 C ATOM 402 CG ARG A 462 -2.621 -1.976 -13.781 1.00 0.00 C ATOM 403 CD ARG A 462 -2.237 -0.650 -14.453 1.00 0.00 C ATOM 404 NE ARG A 462 -2.545 -0.653 -15.894 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.732 -0.434 -16.455 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.826 -0.232 -15.748 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.833 -0.416 -17.765 1.00 0.00 N ATOM 0 H ARG A 462 -2.378 -1.654 -9.833 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.003 0.136 -11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.405 -1.775 -12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.736 -2.902 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.002 -2.777 -14.185 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.655 -2.218 -14.026 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.770 0.169 -13.970 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.172 -0.466 -14.310 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.768 -0.843 -16.527 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.783 -0.240 -14.729 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.715 -0.068 -16.220 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -3.006 -0.569 -18.342 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.738 -0.249 -18.204 1.00 0.00 H new ATOM 421 N ARG A 463 -5.563 -1.530 -10.889 1.00 0.00 N ATOM 422 CA ARG A 463 -7.036 -1.565 -10.866 1.00 0.00 C ATOM 423 C ARG A 463 -7.722 -0.179 -10.909 1.00 0.00 C ATOM 424 O ARG A 463 -8.926 -0.109 -11.163 1.00 0.00 O ATOM 425 CB ARG A 463 -7.519 -2.405 -9.660 1.00 0.00 C ATOM 426 CG ARG A 463 -6.893 -2.014 -8.305 1.00 0.00 C ATOM 427 CD ARG A 463 -7.464 -2.839 -7.140 1.00 0.00 C ATOM 428 NE ARG A 463 -6.564 -2.796 -5.974 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.691 -3.437 -4.818 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.769 -4.123 -4.501 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.693 -3.391 -3.965 1.00 0.00 N ATOM 0 H ARG A 463 -5.157 -1.997 -10.078 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.344 -2.041 -11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.602 -2.314 -9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.300 -3.455 -9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.813 -2.154 -8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.069 -0.955 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.445 -2.453 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.607 -3.872 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.741 -2.200 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.550 -4.177 -5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.824 -4.600 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.847 -2.872 -4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.765 -3.875 -3.070 1.00 0.00 H new ATOM 445 N PHE A 464 -6.971 0.916 -10.719 1.00 0.00 N ATOM 446 CA PHE A 464 -7.449 2.305 -10.807 1.00 0.00 C ATOM 447 C PHE A 464 -6.995 3.046 -12.080 1.00 0.00 C ATOM 448 O PHE A 464 -7.434 4.171 -12.319 1.00 0.00 O ATOM 449 CB PHE A 464 -6.989 3.037 -9.536 1.00 0.00 C ATOM 450 CG PHE A 464 -7.469 2.374 -8.259 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.847 2.228 -8.026 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.547 1.824 -7.348 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.305 1.528 -6.899 1.00 0.00 C ATOM 454 CE2 PHE A 464 -7.005 1.110 -6.227 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.385 0.963 -5.998 1.00 0.00 C ATOM 0 H PHE A 464 -5.978 0.857 -10.492 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.537 2.290 -10.879 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.900 3.085 -9.526 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.353 4.064 -9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.557 2.657 -8.718 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.487 1.951 -7.511 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.365 1.423 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.295 0.673 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.736 0.419 -5.134 1.00 0.00 H new ATOM 465 N GLY A 465 -6.137 2.425 -12.901 1.00 0.00 N ATOM 466 CA GLY A 465 -5.491 3.013 -14.084 1.00 0.00 C ATOM 467 C GLY A 465 -3.956 2.922 -14.024 1.00 0.00 C ATOM 468 O GLY A 465 -3.422 2.465 -13.009 1.00 0.00 O ATOM 0 H GLY A 465 -5.861 1.454 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.847 2.503 -14.979 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.787 4.058 -14.173 1.00 0.00 H new ATOM 472 N PRO A 466 -3.237 3.311 -15.098 1.00 0.00 N ATOM 473 CA PRO A 466 -1.778 3.219 -15.178 1.00 0.00 C ATOM 474 C PRO A 466 -1.064 4.075 -14.123 1.00 0.00 C ATOM 475 O PRO A 466 -1.563 5.129 -13.723 1.00 0.00 O ATOM 476 CB PRO A 466 -1.403 3.656 -16.600 1.00 0.00 C ATOM 477 CG PRO A 466 -2.684 3.440 -17.400 1.00 0.00 C ATOM 478 CD PRO A 466 -3.776 3.748 -16.379 1.00 0.00 C ATOM 0 HA PRO A 466 -1.455 2.199 -14.970 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.086 4.699 -16.627 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.579 3.062 -16.996 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.739 4.103 -18.263 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.759 2.420 -17.777 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.012 4.812 -16.364 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.699 3.220 -16.618 1.00 0.00 H new ATOM 486 N LEU A 467 0.123 3.628 -13.697 1.00 0.00 N ATOM 487 CA LEU A 467 0.933 4.249 -12.645 1.00 0.00 C ATOM 488 C LEU A 467 2.406 3.797 -12.680 1.00 0.00 C ATOM 489 O LEU A 467 2.760 2.851 -13.387 1.00 0.00 O ATOM 490 CB LEU A 467 0.296 3.975 -11.255 1.00 0.00 C ATOM 491 CG LEU A 467 0.451 2.541 -10.698 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.239 2.558 -9.182 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.536 1.544 -11.318 1.00 0.00 C ATOM 0 H LEU A 467 0.561 2.795 -14.090 1.00 0.00 H new ATOM 0 HA LEU A 467 0.941 5.323 -12.831 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.732 4.669 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.768 4.205 -11.315 1.00 0.00 H new ATOM 0 HG LEU A 467 1.458 2.212 -10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.348 1.548 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.979 3.210 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.761 2.929 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.376 0.557 -10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.557 1.868 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.378 1.498 -12.396 1.00 0.00 H new ATOM 505 N VAL A 468 3.242 4.440 -11.863 1.00 0.00 N ATOM 506 CA VAL A 468 4.621 4.025 -11.532 1.00 0.00 C ATOM 507 C VAL A 468 4.831 4.125 -10.010 1.00 0.00 C ATOM 508 O VAL A 468 4.081 4.831 -9.337 1.00 0.00 O ATOM 509 CB VAL A 468 5.681 4.806 -12.356 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.014 6.202 -11.840 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.972 3.989 -12.495 1.00 0.00 C ATOM 0 H VAL A 468 2.972 5.302 -11.390 1.00 0.00 H new ATOM 0 HA VAL A 468 4.761 2.983 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 468 5.210 4.956 -13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.763 6.660 -12.486 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.112 6.814 -11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.405 6.131 -10.825 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.700 4.555 -13.076 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.379 3.781 -11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.755 3.049 -13.003 1.00 0.00 H new ATOM 521 N VAL A 469 5.815 3.406 -9.458 1.00 0.00 N ATOM 522 CA VAL A 469 6.021 3.244 -8.004 1.00 0.00 C ATOM 523 C VAL A 469 7.487 3.509 -7.630 1.00 0.00 C ATOM 524 O VAL A 469 8.403 3.031 -8.297 1.00 0.00 O ATOM 525 CB VAL A 469 5.589 1.831 -7.537 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.727 1.666 -6.013 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.130 1.528 -7.925 1.00 0.00 C ATOM 0 H VAL A 469 6.508 2.908 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 469 5.397 3.977 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 469 6.256 1.131 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.414 0.662 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.767 1.819 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.098 2.400 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.862 0.529 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.470 2.261 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.023 1.580 -9.009 1.00 0.00 H new ATOM 537 N ASP A 470 7.696 4.266 -6.548 1.00 0.00 N ATOM 538 CA ASP A 470 9.003 4.730 -6.060 1.00 0.00 C ATOM 539 C ASP A 470 9.013 4.893 -4.525 1.00 0.00 C ATOM 540 O ASP A 470 7.958 4.964 -3.896 1.00 0.00 O ATOM 541 CB ASP A 470 9.341 6.051 -6.776 1.00 0.00 C ATOM 542 CG ASP A 470 10.762 6.549 -6.474 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.720 5.770 -6.686 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.911 7.714 -6.035 1.00 0.00 O ATOM 0 H ASP A 470 6.926 4.587 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 470 9.766 3.985 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.231 5.914 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.623 6.814 -6.477 1.00 0.00 H new ATOM 786 N GLY A 485 8.690 -0.605 4.440 1.00 0.00 N ATOM 787 CA GLY A 485 7.261 -0.957 4.505 1.00 0.00 C ATOM 788 C GLY A 485 6.315 0.130 3.982 1.00 0.00 C ATOM 789 O GLY A 485 5.136 0.133 4.331 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.098 -1.870 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.001 -1.180 5.540 1.00 0.00 H new ATOM 793 N TYR A 486 6.803 1.050 3.145 1.00 0.00 N ATOM 794 CA TYR A 486 6.007 2.129 2.542 1.00 0.00 C ATOM 795 C TYR A 486 6.566 2.590 1.182 1.00 0.00 C ATOM 796 O TYR A 486 7.753 2.410 0.897 1.00 0.00 O ATOM 797 CB TYR A 486 5.860 3.303 3.528 1.00 0.00 C ATOM 798 CG TYR A 486 7.125 4.080 3.849 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.593 5.070 2.960 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.794 3.868 5.069 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.725 5.840 3.286 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.923 4.640 5.404 1.00 0.00 C ATOM 803 CZ TYR A 486 9.397 5.626 4.510 1.00 0.00 C ATOM 804 OH TYR A 486 10.488 6.372 4.840 1.00 0.00 O ATOM 0 H TYR A 486 7.782 1.068 2.860 1.00 0.00 H new ATOM 0 HA TYR A 486 5.015 1.727 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.126 3.999 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.451 2.916 4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 486 7.080 5.238 2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.440 3.110 5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.080 6.595 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.427 4.478 6.345 1.00 0.00 H new ATOM 0 HH TYR A 486 10.823 6.091 5.717 1.00 0.00 H new ATOM 814 N ALA A 487 5.713 3.201 0.351 1.00 0.00 N ATOM 815 CA ALA A 487 6.057 3.691 -0.984 1.00 0.00 C ATOM 816 C ALA A 487 5.131 4.830 -1.443 1.00 0.00 C ATOM 817 O ALA A 487 4.085 5.085 -0.840 1.00 0.00 O ATOM 818 CB ALA A 487 6.028 2.506 -1.968 1.00 0.00 C ATOM 0 H ALA A 487 4.738 3.372 0.598 1.00 0.00 H new ATOM 0 HA ALA A 487 7.060 4.117 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.283 2.857 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.751 1.753 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 487 5.030 2.068 -1.981 1.00 0.00 H new ATOM 824 N PHE A 488 5.519 5.483 -2.538 1.00 0.00 N ATOM 825 CA PHE A 488 4.762 6.509 -3.245 1.00 0.00 C ATOM 826 C PHE A 488 4.358 5.991 -4.633 1.00 0.00 C ATOM 827 O PHE A 488 5.202 5.655 -5.465 1.00 0.00 O ATOM 828 CB PHE A 488 5.608 7.784 -3.378 1.00 0.00 C ATOM 829 CG PHE A 488 5.909 8.499 -2.075 1.00 0.00 C ATOM 830 CD1 PHE A 488 5.020 9.474 -1.584 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.097 8.223 -1.373 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.331 10.189 -0.415 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.400 8.926 -0.192 1.00 0.00 C ATOM 834 CZ PHE A 488 6.522 9.917 0.281 1.00 0.00 C ATOM 0 H PHE A 488 6.420 5.298 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 488 3.860 6.745 -2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.552 7.526 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.091 8.476 -4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 488 4.096 9.673 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.778 7.470 -1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.655 10.948 -0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.307 8.704 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.762 10.469 1.178 1.00 0.00 H new ATOM 844 N LEU A 489 3.049 5.963 -4.879 1.00 0.00 N ATOM 845 CA LEU A 489 2.438 5.727 -6.184 1.00 0.00 C ATOM 846 C LEU A 489 2.343 7.059 -6.931 1.00 0.00 C ATOM 847 O LEU A 489 1.981 8.075 -6.330 1.00 0.00 O ATOM 848 CB LEU A 489 1.015 5.162 -6.009 1.00 0.00 C ATOM 849 CG LEU A 489 0.832 4.002 -5.012 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.661 3.675 -4.945 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.634 2.750 -5.385 1.00 0.00 C ATOM 0 H LEU A 489 2.358 6.110 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 489 3.046 5.014 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.364 5.979 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.663 4.827 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 489 1.215 4.320 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.823 2.855 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.211 4.554 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.014 3.383 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.460 1.972 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.317 2.393 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.696 2.993 -5.414 1.00 0.00 H new ATOM 863 N LEU A 490 2.599 7.035 -8.236 1.00 0.00 N ATOM 864 CA LEU A 490 2.389 8.141 -9.169 1.00 0.00 C ATOM 865 C LEU A 490 1.447 7.649 -10.271 1.00 0.00 C ATOM 866 O LEU A 490 1.856 6.835 -11.104 1.00 0.00 O ATOM 867 CB LEU A 490 3.735 8.570 -9.786 1.00 0.00 C ATOM 868 CG LEU A 490 4.899 8.899 -8.838 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.139 9.189 -9.698 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.573 10.089 -7.929 1.00 0.00 C ATOM 0 H LEU A 490 2.976 6.206 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 490 1.958 8.999 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.064 7.773 -10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.552 9.448 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 490 5.083 8.051 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.983 9.426 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.378 8.312 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.936 10.035 -10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.421 10.290 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.370 10.969 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.696 9.856 -7.326 1.00 0.00 H new ATOM 882 N PHE A 491 0.196 8.110 -10.274 1.00 0.00 N ATOM 883 CA PHE A 491 -0.809 7.712 -11.265 1.00 0.00 C ATOM 884 C PHE A 491 -0.720 8.557 -12.543 1.00 0.00 C ATOM 885 O PHE A 491 -0.279 9.707 -12.517 1.00 0.00 O ATOM 886 CB PHE A 491 -2.208 7.786 -10.641 1.00 0.00 C ATOM 887 CG PHE A 491 -2.471 6.734 -9.577 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.166 7.001 -8.230 1.00 0.00 C ATOM 889 CD2 PHE A 491 -3.023 5.485 -9.932 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.433 6.039 -7.240 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.273 4.519 -8.943 1.00 0.00 C ATOM 892 CZ PHE A 491 -2.990 4.800 -7.596 1.00 0.00 C ATOM 0 H PHE A 491 -0.153 8.775 -9.584 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.609 6.682 -11.561 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.346 8.774 -10.201 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.952 7.682 -11.431 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.725 7.948 -7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.254 5.271 -10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.210 6.253 -6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.683 3.559 -9.219 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.201 4.064 -6.835 1.00 0.00 H new ATOM 902 N GLN A 492 -1.166 8.001 -13.671 1.00 0.00 N ATOM 903 CA GLN A 492 -1.165 8.681 -14.971 1.00 0.00 C ATOM 904 C GLN A 492 -2.218 9.801 -15.060 1.00 0.00 C ATOM 905 O GLN A 492 -2.021 10.764 -15.800 1.00 0.00 O ATOM 906 CB GLN A 492 -1.374 7.614 -16.061 1.00 0.00 C ATOM 907 CG GLN A 492 -1.352 8.123 -17.514 1.00 0.00 C ATOM 908 CD GLN A 492 -0.042 8.815 -17.902 1.00 0.00 C ATOM 909 OE1 GLN A 492 0.895 8.205 -18.403 1.00 0.00 O ATOM 910 NE2 GLN A 492 0.079 10.109 -17.683 1.00 0.00 N ATOM 0 H GLN A 492 -1.543 7.054 -13.710 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.207 9.182 -15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.601 6.854 -15.951 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.331 7.123 -15.883 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.522 7.283 -18.187 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -2.178 8.820 -17.659 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -0.693 10.630 -17.267 1.00 0.00 H new ATOM 0 HE22 GLN A 492 0.944 10.589 -17.930 1.00 0.00 H new ATOM 919 N GLU A 493 -3.303 9.706 -14.285 1.00 0.00 N ATOM 920 CA GLU A 493 -4.411 10.667 -14.253 1.00 0.00 C ATOM 921 C GLU A 493 -4.931 10.848 -12.819 1.00 0.00 C ATOM 922 O GLU A 493 -4.969 9.899 -12.034 1.00 0.00 O ATOM 923 CB GLU A 493 -5.566 10.201 -15.162 1.00 0.00 C ATOM 924 CG GLU A 493 -5.195 10.158 -16.649 1.00 0.00 C ATOM 925 CD GLU A 493 -6.427 9.866 -17.519 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.717 8.676 -17.789 1.00 0.00 O ATOM 927 OE2 GLU A 493 -7.107 10.827 -17.953 1.00 0.00 O ATOM 0 H GLU A 493 -3.439 8.929 -13.639 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.033 11.622 -14.619 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.888 9.208 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.416 10.869 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.755 11.110 -16.945 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.438 9.391 -16.816 1.00 0.00 H new ATOM 934 N GLU A 494 -5.375 12.064 -12.483 1.00 0.00 N ATOM 935 CA GLU A 494 -5.962 12.376 -11.169 1.00 0.00 C ATOM 936 C GLU A 494 -7.236 11.555 -10.907 1.00 0.00 C ATOM 937 O GLU A 494 -7.495 11.137 -9.777 1.00 0.00 O ATOM 938 CB GLU A 494 -6.276 13.878 -11.075 1.00 0.00 C ATOM 939 CG GLU A 494 -5.016 14.752 -11.086 1.00 0.00 C ATOM 940 CD GLU A 494 -5.381 16.242 -11.084 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.595 16.816 -12.179 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.449 16.852 -9.992 1.00 0.00 O ATOM 0 H GLU A 494 -5.339 12.864 -13.115 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.230 12.109 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.917 14.163 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.838 14.070 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.403 14.523 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.417 14.522 -11.967 1.00 0.00 H new ATOM 949 N SER A 495 -7.991 11.224 -11.957 1.00 0.00 N ATOM 950 CA SER A 495 -9.163 10.342 -11.900 1.00 0.00 C ATOM 951 C SER A 495 -8.843 8.960 -11.305 1.00 0.00 C ATOM 952 O SER A 495 -9.695 8.361 -10.651 1.00 0.00 O ATOM 953 CB SER A 495 -9.751 10.165 -13.308 1.00 0.00 C ATOM 954 OG SER A 495 -10.001 11.423 -13.926 1.00 0.00 O ATOM 0 H SER A 495 -7.800 11.571 -12.897 1.00 0.00 H new ATOM 0 HA SER A 495 -9.887 10.821 -11.240 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.061 9.586 -13.922 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.679 9.596 -13.248 1.00 0.00 H new ATOM 0 HG SER A 495 -10.373 11.280 -14.821 1.00 0.00 H new ATOM 960 N SER A 496 -7.607 8.468 -11.439 1.00 0.00 N ATOM 961 CA SER A 496 -7.167 7.216 -10.811 1.00 0.00 C ATOM 962 C SER A 496 -6.972 7.366 -9.295 1.00 0.00 C ATOM 963 O SER A 496 -7.200 6.413 -8.549 1.00 0.00 O ATOM 964 CB SER A 496 -5.851 6.743 -11.440 1.00 0.00 C ATOM 965 OG SER A 496 -5.925 6.655 -12.858 1.00 0.00 O ATOM 0 H SER A 496 -6.881 8.928 -11.988 1.00 0.00 H new ATOM 0 HA SER A 496 -7.953 6.480 -10.982 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.052 7.431 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.587 5.767 -11.032 1.00 0.00 H new ATOM 0 HG SER A 496 -6.420 5.848 -13.110 1.00 0.00 H new ATOM 971 N VAL A 497 -6.624 8.566 -8.815 1.00 0.00 N ATOM 972 CA VAL A 497 -6.519 8.857 -7.375 1.00 0.00 C ATOM 973 C VAL A 497 -7.918 8.989 -6.770 1.00 0.00 C ATOM 974 O VAL A 497 -8.165 8.471 -5.685 1.00 0.00 O ATOM 975 CB VAL A 497 -5.662 10.112 -7.083 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.561 10.387 -5.573 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.248 9.940 -7.658 1.00 0.00 C ATOM 0 H VAL A 497 -6.407 9.364 -9.412 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.003 8.020 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.154 10.960 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -4.952 11.275 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.559 10.548 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.100 9.532 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.658 10.831 -7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.773 9.072 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.309 9.795 -8.737 1.00 0.00 H new ATOM 987 N GLN A 498 -8.869 9.597 -7.488 1.00 0.00 N ATOM 988 CA GLN A 498 -10.270 9.640 -7.063 1.00 0.00 C ATOM 989 C GLN A 498 -10.916 8.247 -7.078 1.00 0.00 C ATOM 990 O GLN A 498 -11.670 7.925 -6.163 1.00 0.00 O ATOM 991 CB GLN A 498 -11.032 10.611 -7.980 1.00 0.00 C ATOM 992 CG GLN A 498 -12.527 10.776 -7.651 1.00 0.00 C ATOM 993 CD GLN A 498 -12.797 11.269 -6.227 1.00 0.00 C ATOM 994 OE1 GLN A 498 -12.865 12.461 -5.952 1.00 0.00 O ATOM 995 NE2 GLN A 498 -12.962 10.378 -5.270 1.00 0.00 N ATOM 0 H GLN A 498 -8.690 10.070 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.316 9.991 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.553 11.589 -7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -10.938 10.265 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -12.969 11.478 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.029 9.819 -7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -12.908 9.382 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.144 10.684 -4.314 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.598 7.405 -8.067 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.046 6.007 -8.106 1.00 0.00 C ATOM 1006 C ALA A 499 -10.502 5.185 -6.926 1.00 0.00 C ATOM 1007 O ALA A 499 -11.234 4.369 -6.362 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.633 5.377 -9.441 1.00 0.00 C ATOM 0 H ALA A 499 -10.022 7.673 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.132 6.000 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.965 4.339 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.092 5.929 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.548 5.414 -9.541 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.250 5.433 -6.518 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.674 4.862 -5.301 1.00 0.00 C ATOM 1016 C LEU A 500 -9.423 5.357 -4.055 1.00 0.00 C ATOM 1017 O LEU A 500 -9.853 4.541 -3.245 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.160 5.159 -5.274 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.442 4.824 -3.951 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.629 3.369 -3.514 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.941 5.096 -4.111 1.00 0.00 C ATOM 0 H LEU A 500 -8.608 6.039 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.793 3.779 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.683 4.599 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.011 6.217 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.886 5.456 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.099 3.200 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.690 3.165 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.231 2.705 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.427 4.861 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.542 4.474 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.786 6.147 -4.356 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.646 6.669 -3.922 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.412 7.271 -2.810 1.00 0.00 C ATOM 1035 C ILE A 501 -11.820 6.659 -2.701 1.00 0.00 C ATOM 1036 O ILE A 501 -12.264 6.330 -1.601 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.461 8.813 -2.967 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.060 9.433 -2.763 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.453 9.447 -1.970 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -8.912 10.865 -3.294 1.00 0.00 C ATOM 0 H ILE A 501 -9.297 7.357 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.900 7.044 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.801 9.023 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.827 9.428 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.322 8.799 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.464 10.528 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.452 9.049 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.145 9.212 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -7.898 11.219 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.110 10.878 -4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.623 11.517 -2.786 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.498 6.446 -3.830 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.840 5.851 -3.902 1.00 0.00 C ATOM 1054 C ASP A 502 -13.873 4.353 -3.525 1.00 0.00 C ATOM 1055 O ASP A 502 -14.934 3.829 -3.179 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.399 6.088 -5.314 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.871 5.664 -5.453 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.745 6.315 -4.830 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.155 4.708 -6.216 1.00 0.00 O ATOM 0 H ASP A 502 -12.121 6.688 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.468 6.340 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.305 7.145 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.797 5.535 -6.035 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.720 3.673 -3.537 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.558 2.278 -3.116 1.00 0.00 C ATOM 1066 C ALA A 503 -11.985 2.132 -1.692 1.00 0.00 C ATOM 1067 O ALA A 503 -12.051 1.040 -1.118 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.672 1.575 -4.150 1.00 0.00 C ATOM 0 H ALA A 503 -11.845 4.094 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.542 1.811 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.534 0.533 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.149 1.621 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.702 2.071 -4.195 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.445 3.205 -1.104 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.846 3.184 0.230 1.00 0.00 C ATOM 1076 C CYS A 504 -11.885 3.140 1.366 1.00 0.00 C ATOM 1077 O CYS A 504 -12.972 3.721 1.280 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.955 4.424 0.419 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.389 4.251 -0.475 1.00 0.00 S ATOM 0 H CYS A 504 -11.412 4.122 -1.549 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.261 2.266 0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.482 5.310 0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.756 4.573 1.480 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.606 4.344 -1.753 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.500 2.483 2.462 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.161 2.562 3.768 1.00 0.00 C ATOM 1087 C LEU A 505 -11.627 3.807 4.498 1.00 0.00 C ATOM 1088 O LEU A 505 -10.680 4.441 4.029 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.882 1.273 4.569 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.464 -0.008 3.941 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.960 -1.234 4.715 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -14.001 -0.003 3.924 1.00 0.00 C ATOM 0 H LEU A 505 -10.692 1.860 2.466 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.241 2.651 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.804 1.153 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.291 1.388 5.573 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.126 -0.049 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.372 -2.140 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.872 -1.270 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.278 -1.164 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.363 -0.926 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.376 0.073 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.356 0.848 3.343 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.200 4.152 5.649 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.857 5.374 6.392 1.00 0.00 C ATOM 1106 C GLU A 506 -11.974 5.180 7.912 1.00 0.00 C ATOM 1107 O GLU A 506 -12.924 4.561 8.398 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.736 6.539 5.903 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.335 7.893 6.507 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.185 9.034 5.929 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.389 9.122 6.267 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -12.653 9.858 5.150 1.00 0.00 O ATOM 0 H GLU A 506 -12.922 3.590 6.100 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.812 5.612 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.675 6.601 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.776 6.331 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.454 7.860 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.281 8.085 6.308 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.247 6.948 5.337 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.844 6.030 4.359 1.00 0.00 C ATOM 1177 C LEU A 511 -7.113 4.683 4.359 1.00 0.00 C ATOM 1178 O LEU A 511 -5.937 4.618 4.719 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.831 6.672 2.956 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.703 7.930 2.774 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.526 8.457 1.341 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.191 7.656 3.036 1.00 0.00 C ATOM 0 HA LEU A 511 -8.880 5.841 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.802 6.930 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.156 5.923 2.234 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.376 8.670 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.139 9.347 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.479 8.708 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -8.834 7.690 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.761 8.574 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.549 6.896 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.321 7.303 4.059 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.784 3.610 3.928 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.202 2.260 3.851 1.00 0.00 C ATOM 1196 C TYR A 512 -7.672 1.450 2.633 1.00 0.00 C ATOM 1197 O TYR A 512 -8.819 1.556 2.202 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.477 1.453 5.134 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.924 2.048 6.413 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.665 3.016 7.117 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.677 1.619 6.910 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -7.156 3.569 8.305 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -5.170 2.156 8.109 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.910 3.136 8.809 1.00 0.00 C ATOM 1205 OH TYR A 512 -5.433 3.654 9.974 1.00 0.00 O ATOM 0 H TYR A 512 -8.755 3.651 3.619 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.130 2.423 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.555 1.337 5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.060 0.454 5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.627 3.335 6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.109 0.876 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.718 4.325 8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -4.218 1.820 8.493 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.565 3.249 10.181 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.789 0.582 2.135 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.044 -0.423 1.095 1.00 0.00 C ATOM 1217 C LEU A 513 -6.396 -1.758 1.520 1.00 0.00 C ATOM 1218 O LEU A 513 -5.735 -1.801 2.559 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.478 0.107 -0.241 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.240 -0.402 -1.476 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.528 0.413 -1.678 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.373 -0.288 -2.730 1.00 0.00 C ATOM 0 H LEU A 513 -5.823 0.558 2.463 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.111 -0.604 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.505 1.197 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.431 -0.185 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.492 -1.449 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.059 0.043 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.165 0.311 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.275 1.463 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.931 -0.653 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.100 0.755 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.469 -0.884 -2.603 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.540 -2.832 0.735 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.993 -4.163 1.044 1.00 0.00 C ATOM 1236 C CYS A 514 -5.129 -4.733 -0.099 1.00 0.00 C ATOM 1237 O CYS A 514 -5.435 -4.516 -1.276 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.147 -5.111 1.417 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.898 -4.588 2.989 1.00 0.00 S ATOM 0 H CYS A 514 -7.048 -2.802 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.319 -4.066 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.899 -5.111 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.776 -6.132 1.504 1.00 0.00 H new ATOM 0 HG CYS A 514 -8.872 -5.393 3.294 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.067 -5.466 0.260 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.022 -6.017 -0.637 1.00 0.00 C ATOM 1247 C VAL A 515 -2.445 -7.331 -0.073 1.00 0.00 C ATOM 1248 O VAL A 515 -2.714 -7.676 1.075 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.876 -5.000 -0.892 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.372 -3.700 -1.546 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.097 -4.643 0.386 1.00 0.00 C ATOM 0 H VAL A 515 -3.897 -5.708 1.236 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.505 -6.223 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.205 -5.512 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.529 -3.026 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.835 -3.929 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.104 -3.222 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.310 -3.929 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.776 -4.201 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.652 -5.546 0.805 1.00 0.00 H new ATOM 1261 N SER A 516 -1.640 -8.064 -0.850 1.00 0.00 N ATOM 1262 CA SER A 516 -1.009 -9.341 -0.445 1.00 0.00 C ATOM 1263 C SER A 516 0.362 -9.560 -1.120 1.00 0.00 C ATOM 1264 O SER A 516 0.695 -8.922 -2.119 1.00 0.00 O ATOM 1265 CB SER A 516 -1.922 -10.538 -0.771 1.00 0.00 C ATOM 1266 OG SER A 516 -3.154 -10.500 -0.063 1.00 0.00 O ATOM 0 H SER A 516 -1.399 -7.786 -1.801 1.00 0.00 H new ATOM 0 HA SER A 516 -0.856 -9.275 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 516 -2.124 -10.554 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.399 -11.464 -0.532 1.00 0.00 H new ATOM 0 HG SER A 516 -3.696 -11.280 -0.307 1.00 0.00 H new ATOM 1272 N SER A 517 1.162 -10.485 -0.586 1.00 0.00 N ATOM 1273 CA SER A 517 2.544 -10.791 -0.987 1.00 0.00 C ATOM 1274 C SER A 517 2.816 -12.320 -0.951 1.00 0.00 C ATOM 1275 O SER A 517 1.869 -13.091 -0.733 1.00 0.00 O ATOM 1276 CB SER A 517 3.476 -10.018 -0.040 1.00 0.00 C ATOM 1277 OG SER A 517 3.586 -10.670 1.213 1.00 0.00 O ATOM 0 H SER A 517 0.848 -11.077 0.183 1.00 0.00 H new ATOM 0 HA SER A 517 2.722 -10.482 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.463 -9.925 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.095 -9.007 0.105 1.00 0.00 H new ATOM 0 HG SER A 517 4.380 -10.342 1.684 1.00 0.00 H new ATOM 1283 N PRO A 518 4.064 -12.807 -1.157 1.00 0.00 N ATOM 1284 CA PRO A 518 4.383 -14.233 -1.089 1.00 0.00 C ATOM 1285 C PRO A 518 4.059 -14.878 0.266 1.00 0.00 C ATOM 1286 O PRO A 518 3.601 -16.022 0.275 1.00 0.00 O ATOM 1287 CB PRO A 518 5.875 -14.353 -1.422 1.00 0.00 C ATOM 1288 CG PRO A 518 6.140 -13.119 -2.277 1.00 0.00 C ATOM 1289 CD PRO A 518 5.241 -12.082 -1.613 1.00 0.00 C ATOM 0 HA PRO A 518 3.760 -14.779 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.490 -14.359 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 518 6.094 -15.273 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 518 7.189 -12.824 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.875 -13.281 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.751 -11.600 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.967 -11.295 -2.316 1.00 0.00 H new ATOM 1297 N THR A 519 4.245 -14.157 1.387 1.00 0.00 N ATOM 1298 CA THR A 519 4.029 -14.696 2.746 1.00 0.00 C ATOM 1299 C THR A 519 2.960 -13.973 3.563 1.00 0.00 C ATOM 1300 O THR A 519 2.476 -14.552 4.537 1.00 0.00 O ATOM 1301 CB THR A 519 5.339 -14.770 3.544 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.840 -13.481 3.809 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.422 -15.592 2.841 1.00 0.00 C ATOM 0 H THR A 519 4.549 -13.184 1.378 1.00 0.00 H new ATOM 0 HA THR A 519 3.648 -15.703 2.574 1.00 0.00 H new ATOM 0 HB THR A 519 5.091 -15.274 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.285 -13.132 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.323 -15.607 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.066 -16.612 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.649 -15.143 1.874 1.00 0.00 H new ATOM 1311 N ILE A 520 2.538 -12.764 3.179 1.00 0.00 N ATOM 1312 CA ILE A 520 1.540 -11.962 3.913 1.00 0.00 C ATOM 1313 C ILE A 520 0.266 -11.819 3.075 1.00 0.00 C ATOM 1314 O ILE A 520 0.308 -11.432 1.908 1.00 0.00 O ATOM 1315 CB ILE A 520 2.119 -10.581 4.300 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.532 -10.611 4.934 1.00 0.00 C ATOM 1317 CG2 ILE A 520 1.147 -9.848 5.239 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.672 -11.402 6.240 1.00 0.00 C ATOM 0 H ILE A 520 2.883 -12.303 2.337 1.00 0.00 H new ATOM 0 HA ILE A 520 1.285 -12.478 4.839 1.00 0.00 H new ATOM 0 HB ILE A 520 2.235 -10.047 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 520 4.226 -11.029 4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.846 -9.584 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.563 -8.876 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.191 -9.707 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.998 -10.440 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.704 -11.351 6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 520 3.013 -10.976 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.399 -12.443 6.066 1.00 0.00 H new ATOM 1330 N LYS A 521 -0.882 -12.131 3.675 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.167 -12.281 2.983 1.00 0.00 C ATOM 1332 C LYS A 521 -3.251 -11.372 3.592 1.00 0.00 C ATOM 1333 O LYS A 521 -3.374 -11.287 4.817 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.580 -13.766 3.070 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.538 -14.800 2.603 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.091 -14.654 1.141 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.017 -15.710 0.846 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.527 -15.578 -0.529 1.00 0.00 N ATOM 0 H LYS A 521 -0.949 -12.291 4.680 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.059 -11.977 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.839 -13.987 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.485 -13.903 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.660 -14.725 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -1.951 -15.799 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -1.941 -14.783 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.695 -13.654 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.794 -15.614 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.442 -16.706 0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 1.199 -16.350 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.252 -15.627 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 1.015 -14.664 -0.623 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.027 -10.693 2.738 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.171 -9.820 3.119 1.00 0.00 C ATOM 1354 C ASP A 522 -4.741 -8.630 4.011 1.00 0.00 C ATOM 1355 O ASP A 522 -5.493 -8.158 4.866 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.307 -10.657 3.748 1.00 0.00 C ATOM 1357 CG ASP A 522 -6.820 -11.758 2.805 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.542 -11.426 1.834 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -6.519 -12.951 3.048 1.00 0.00 O ATOM 0 H ASP A 522 -3.881 -10.730 1.729 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.561 -9.369 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -5.950 -11.112 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -7.133 -9.999 4.016 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.510 -8.140 3.827 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.935 -7.030 4.592 1.00 0.00 C ATOM 1366 C LYS A 523 -3.671 -5.703 4.292 1.00 0.00 C ATOM 1367 O LYS A 523 -3.758 -5.335 3.111 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.440 -6.912 4.231 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.692 -5.829 5.027 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.328 -6.247 6.460 1.00 0.00 C ATOM 1371 CE LYS A 523 0.472 -5.155 7.188 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.343 -3.951 7.510 1.00 0.00 N ATOM 0 H LYS A 523 -2.871 -8.514 3.125 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.048 -7.229 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.957 -7.874 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.349 -6.695 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.221 -5.566 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.308 -4.931 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.239 -6.463 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.255 -7.168 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.881 -5.567 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.318 -4.859 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.287 -3.145 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.964 -3.727 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.922 -4.139 8.353 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.134 -4.954 5.316 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.631 -3.598 5.153 1.00 0.00 C ATOM 1388 C PRO A 524 -3.443 -2.631 5.099 1.00 0.00 C ATOM 1389 O PRO A 524 -2.456 -2.795 5.817 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.528 -3.334 6.362 1.00 0.00 C ATOM 1391 CG PRO A 524 -4.918 -4.206 7.462 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.185 -5.330 6.721 1.00 0.00 C ATOM 0 HA PRO A 524 -5.195 -3.460 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.527 -2.280 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.563 -3.609 6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.232 -3.632 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.689 -4.606 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.180 -5.463 7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.707 -6.279 6.847 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.551 -1.619 4.244 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.515 -0.609 3.985 1.00 0.00 C ATOM 1402 C VAL A 525 -3.126 0.788 4.026 1.00 0.00 C ATOM 1403 O VAL A 525 -4.210 1.009 3.491 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.783 -0.851 2.644 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.803 -2.020 2.809 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.706 -1.123 1.437 1.00 0.00 C ATOM 0 H VAL A 525 -4.393 -1.469 3.688 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.766 -0.695 4.772 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.267 0.081 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.284 -2.195 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.076 -1.779 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.352 -2.918 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.101 -1.280 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.305 -2.013 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.365 -0.268 1.283 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.445 1.713 4.701 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.902 3.084 4.910 1.00 0.00 C ATOM 1418 C GLN A 526 -2.599 3.921 3.664 1.00 0.00 C ATOM 1419 O GLN A 526 -1.473 3.919 3.173 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.219 3.668 6.158 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.951 4.923 6.666 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.249 5.579 7.858 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.877 6.746 7.823 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.043 4.882 8.955 1.00 0.00 N ATOM 0 H GLN A 526 -1.538 1.524 5.128 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.980 3.098 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.194 2.916 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.184 3.919 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -3.029 5.646 5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.968 4.654 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.345 3.909 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.582 5.315 9.755 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.600 4.640 3.156 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.548 5.400 1.901 1.00 0.00 C ATOM 1435 C ILE A 527 -3.579 6.898 2.221 1.00 0.00 C ATOM 1436 O ILE A 527 -4.346 7.348 3.075 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.725 4.984 0.981 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.861 3.456 0.792 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.634 5.661 -0.397 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.628 2.744 0.229 1.00 0.00 C ATOM 0 H ILE A 527 -4.504 4.714 3.622 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.623 5.182 1.367 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.619 5.327 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.107 3.010 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.703 3.264 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.475 5.345 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.661 6.744 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.701 5.375 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.834 1.677 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.388 3.153 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.783 2.894 0.901 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.737 7.675 1.536 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.514 9.103 1.793 1.00 0.00 C ATOM 1454 C ARG A 528 -2.327 9.857 0.461 1.00 0.00 C ATOM 1455 O ARG A 528 -1.187 10.012 0.011 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.273 9.252 2.695 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.399 8.752 4.142 1.00 0.00 C ATOM 1458 CD ARG A 528 -2.382 9.578 4.974 1.00 0.00 C ATOM 1459 NE ARG A 528 -2.293 9.209 6.395 1.00 0.00 N ATOM 1460 CZ ARG A 528 -2.425 10.004 7.447 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -2.763 11.272 7.346 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -2.204 9.498 8.637 1.00 0.00 N ATOM 0 H ARG A 528 -2.174 7.319 0.764 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.378 9.535 2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.446 8.721 2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.000 10.307 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -1.722 7.711 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -0.418 8.778 4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -2.166 10.640 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -3.398 9.416 4.613 1.00 0.00 H new ATOM 0 HE ARG A 528 -2.108 8.226 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -2.936 11.682 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -2.852 11.844 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -1.939 8.518 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -2.298 10.085 9.466 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.420 10.314 -0.187 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.353 11.175 -1.366 1.00 0.00 C ATOM 1478 C PRO A 529 -2.594 12.460 -1.026 1.00 0.00 C ATOM 1479 O PRO A 529 -2.895 13.107 -0.020 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.808 11.444 -1.776 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.575 10.271 -1.170 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.810 10.008 0.125 1.00 0.00 C ATOM 0 HA PRO A 529 -2.813 10.713 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.164 12.399 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.919 11.479 -2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.618 10.523 -0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.571 9.401 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.180 10.636 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.923 8.973 0.447 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.582 12.811 -1.824 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.653 13.884 -1.467 1.00 0.00 C ATOM 1492 C TRP A 530 -1.268 15.284 -1.626 1.00 0.00 C ATOM 1493 O TRP A 530 -1.664 15.690 -2.720 1.00 0.00 O ATOM 1494 CB TRP A 530 0.647 13.739 -2.263 1.00 0.00 C ATOM 1495 CG TRP A 530 1.716 14.693 -1.831 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.950 15.910 -2.372 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.685 14.549 -0.745 1.00 0.00 C ATOM 1498 NE1 TRP A 530 2.991 16.525 -1.705 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.488 15.728 -0.696 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.972 13.535 0.195 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.531 15.887 0.228 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.016 13.685 1.129 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.798 14.855 1.144 1.00 0.00 C ATOM 0 H TRP A 530 -1.386 12.367 -2.721 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.426 13.783 -0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.017 12.719 -2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.436 13.895 -3.321 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.405 16.337 -3.201 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.348 17.453 -1.931 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.382 12.630 0.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.122 16.791 0.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.218 12.896 1.839 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.602 14.960 1.858 1.00 0.00 H new