USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 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 Set 1.1: A 517 SER OG : rot 180:sc= 0.335 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -172:sc= 0.00588 (180deg=0.00147) USER MOD Single : A 458 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 460 SER OG : rot 69:sc= 1.22 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= -0.0011 X(o=-0.0011,f=-0.0011) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -77:sc= 0.275 USER MOD Single : A 498 GLN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : A 504 CYS SG : rot 72:sc= 0.558 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 USER MOD Single : A 521 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.15) USER MOD Single : A 523 LYS NZ :NH3+ -161:sc= 0.948 (180deg=0.683) USER MOD Single : A 526 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.002 13.726 -8.248 1.00 0.00 N ATOM 80 CA ARG A 441 -1.109 12.316 -8.663 1.00 0.00 C ATOM 81 C ARG A 441 -0.235 11.362 -7.828 1.00 0.00 C ATOM 82 O ARG A 441 -0.306 10.144 -8.006 1.00 0.00 O ATOM 83 CB ARG A 441 -0.781 12.159 -10.155 1.00 0.00 C ATOM 84 CG ARG A 441 -1.662 13.047 -11.049 1.00 0.00 C ATOM 85 CD ARG A 441 -1.614 12.628 -12.522 1.00 0.00 C ATOM 86 NE ARG A 441 -0.239 12.537 -13.043 1.00 0.00 N ATOM 87 CZ ARG A 441 0.500 13.512 -13.559 1.00 0.00 C ATOM 88 NH1 ARG A 441 0.062 14.751 -13.654 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.715 13.246 -13.987 1.00 0.00 N ATOM 0 HA ARG A 441 -2.146 12.031 -8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.267 12.408 -10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.910 11.116 -10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.692 13.004 -10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.337 14.084 -10.959 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.106 11.662 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.177 13.346 -13.118 1.00 0.00 H new ATOM 0 HE ARG A 441 0.197 11.616 -13.003 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -0.874 14.988 -13.325 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.659 15.474 -14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 441 2.083 12.297 -13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.290 13.989 -14.385 1.00 0.00 H new ATOM 103 N LYS A 442 0.597 11.893 -6.926 1.00 0.00 N ATOM 104 CA LYS A 442 1.358 11.108 -5.952 1.00 0.00 C ATOM 105 C LYS A 442 0.457 10.634 -4.792 1.00 0.00 C ATOM 106 O LYS A 442 -0.341 11.414 -4.273 1.00 0.00 O ATOM 107 CB LYS A 442 2.566 11.938 -5.475 1.00 0.00 C ATOM 108 CG LYS A 442 3.487 11.132 -4.539 1.00 0.00 C ATOM 109 CD LYS A 442 4.832 11.823 -4.266 1.00 0.00 C ATOM 110 CE LYS A 442 4.658 13.079 -3.403 1.00 0.00 C ATOM 111 NZ LYS A 442 5.965 13.685 -3.034 1.00 0.00 N ATOM 0 H LYS A 442 0.762 12.897 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 442 1.736 10.200 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 442 3.136 12.278 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 442 2.212 12.829 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.974 10.964 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.673 10.152 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.504 11.127 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.301 12.093 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.059 13.811 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 442 4.108 12.824 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.812 14.447 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.579 12.957 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.419 14.075 -3.884 1.00 0.00 H new ATOM 125 N VAL A 443 0.601 9.381 -4.357 1.00 0.00 N ATOM 126 CA VAL A 443 -0.132 8.804 -3.211 1.00 0.00 C ATOM 127 C VAL A 443 0.817 7.951 -2.366 1.00 0.00 C ATOM 128 O VAL A 443 1.331 6.943 -2.842 1.00 0.00 O ATOM 129 CB VAL A 443 -1.346 7.954 -3.666 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.133 7.419 -2.458 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.307 8.730 -4.581 1.00 0.00 C ATOM 0 H VAL A 443 1.242 8.719 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.517 9.631 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.929 7.123 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -2.978 6.827 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.481 6.795 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.498 8.256 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.137 8.085 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.691 9.601 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.775 9.055 -5.475 1.00 0.00 H new ATOM 141 N PHE A 444 1.041 8.341 -1.110 1.00 0.00 N ATOM 142 CA PHE A 444 1.796 7.546 -0.138 1.00 0.00 C ATOM 143 C PHE A 444 0.980 6.324 0.317 1.00 0.00 C ATOM 144 O PHE A 444 -0.230 6.425 0.529 1.00 0.00 O ATOM 145 CB PHE A 444 2.173 8.439 1.053 1.00 0.00 C ATOM 146 CG PHE A 444 2.838 7.711 2.211 1.00 0.00 C ATOM 147 CD1 PHE A 444 2.058 7.150 3.243 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.237 7.585 2.257 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.672 6.490 4.321 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.854 6.933 3.340 1.00 0.00 C ATOM 151 CZ PHE A 444 4.072 6.386 4.373 1.00 0.00 C ATOM 0 H PHE A 444 0.700 9.226 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 444 2.708 7.170 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.843 9.224 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.272 8.930 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.982 7.228 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.840 7.990 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.068 6.063 5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.930 6.852 3.378 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.547 5.887 5.205 1.00 0.00 H new ATOM 161 N VAL A 445 1.653 5.187 0.504 1.00 0.00 N ATOM 162 CA VAL A 445 1.074 3.930 1.005 1.00 0.00 C ATOM 163 C VAL A 445 1.977 3.350 2.092 1.00 0.00 C ATOM 164 O VAL A 445 3.163 3.135 1.842 1.00 0.00 O ATOM 165 CB VAL A 445 0.884 2.892 -0.121 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.249 1.590 0.399 1.00 0.00 C ATOM 167 CG2 VAL A 445 0.005 3.454 -1.243 1.00 0.00 C ATOM 0 H VAL A 445 2.650 5.109 0.305 1.00 0.00 H new ATOM 0 HA VAL A 445 0.090 4.157 1.415 1.00 0.00 H new ATOM 0 HB VAL A 445 1.879 2.669 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.133 0.887 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.892 1.151 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.728 1.808 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.113 2.703 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.974 3.717 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.475 4.343 -1.663 1.00 0.00 H new ATOM 177 N GLY A 446 1.416 3.096 3.281 1.00 0.00 N ATOM 178 CA GLY A 446 2.121 2.521 4.435 1.00 0.00 C ATOM 179 C GLY A 446 1.531 1.188 4.903 1.00 0.00 C ATOM 180 O GLY A 446 0.316 0.997 4.870 1.00 0.00 O ATOM 0 H GLY A 446 0.433 3.290 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.170 2.375 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.093 3.232 5.260 1.00 0.00 H new ATOM 184 N GLY A 447 2.393 0.279 5.368 1.00 0.00 N ATOM 185 CA GLY A 447 2.043 -1.074 5.837 1.00 0.00 C ATOM 186 C GLY A 447 2.305 -2.189 4.816 1.00 0.00 C ATOM 187 O GLY A 447 1.887 -3.325 5.048 1.00 0.00 O ATOM 0 H GLY A 447 3.393 0.468 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.609 -1.288 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 447 0.988 -1.089 6.109 1.00 0.00 H new ATOM 191 N LEU A 448 2.981 -1.886 3.701 1.00 0.00 N ATOM 192 CA LEU A 448 3.331 -2.834 2.634 1.00 0.00 C ATOM 193 C LEU A 448 4.154 -4.025 3.186 1.00 0.00 C ATOM 194 O LEU A 448 5.003 -3.806 4.058 1.00 0.00 O ATOM 195 CB LEU A 448 4.130 -2.096 1.536 1.00 0.00 C ATOM 196 CG LEU A 448 3.358 -0.988 0.787 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.310 -0.237 -0.151 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.193 -1.561 -0.034 1.00 0.00 C ATOM 0 H LEU A 448 3.312 -0.940 3.509 1.00 0.00 H new ATOM 0 HA LEU A 448 2.410 -3.236 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.017 -1.654 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.477 -2.829 0.808 1.00 0.00 H new ATOM 0 HG LEU A 448 2.948 -0.309 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.761 0.544 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.114 0.214 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.733 -0.934 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.675 -0.750 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.579 -2.267 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.497 -2.074 0.630 1.00 0.00 H new ATOM 210 N PRO A 449 3.932 -5.265 2.695 1.00 0.00 N ATOM 211 CA PRO A 449 4.716 -6.444 3.071 1.00 0.00 C ATOM 212 C PRO A 449 6.237 -6.274 2.884 1.00 0.00 C ATOM 213 O PRO A 449 6.661 -5.486 2.035 1.00 0.00 O ATOM 214 CB PRO A 449 4.192 -7.578 2.185 1.00 0.00 C ATOM 215 CG PRO A 449 2.746 -7.180 1.904 1.00 0.00 C ATOM 216 CD PRO A 449 2.825 -5.659 1.827 1.00 0.00 C ATOM 0 HA PRO A 449 4.594 -6.639 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.769 -7.666 1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 449 4.251 -8.541 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.380 -7.614 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 449 2.074 -7.511 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.997 -5.329 0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.891 -5.203 2.156 1.00 0.00 H new ATOM 224 N PRO A 450 7.072 -7.035 3.620 1.00 0.00 N ATOM 225 CA PRO A 450 8.533 -6.977 3.522 1.00 0.00 C ATOM 226 C PRO A 450 9.101 -7.752 2.313 1.00 0.00 C ATOM 227 O PRO A 450 10.320 -7.838 2.167 1.00 0.00 O ATOM 228 CB PRO A 450 9.021 -7.561 4.852 1.00 0.00 C ATOM 229 CG PRO A 450 7.973 -8.631 5.153 1.00 0.00 C ATOM 230 CD PRO A 450 6.682 -7.984 4.657 1.00 0.00 C ATOM 0 HA PRO A 450 8.877 -5.956 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 450 10.021 -7.986 4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 450 9.064 -6.804 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 450 8.185 -9.564 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.926 -8.865 6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.998 -8.735 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 450 6.163 -7.479 5.471 1.00 0.00 H new ATOM 238 N ASP A 451 8.243 -8.317 1.454 1.00 0.00 N ATOM 239 CA ASP A 451 8.603 -9.243 0.365 1.00 0.00 C ATOM 240 C ASP A 451 7.829 -8.939 -0.939 1.00 0.00 C ATOM 241 O ASP A 451 7.691 -9.792 -1.816 1.00 0.00 O ATOM 242 CB ASP A 451 8.385 -10.684 0.867 1.00 0.00 C ATOM 243 CG ASP A 451 9.113 -11.744 0.019 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.364 -11.702 -0.051 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.443 -12.658 -0.520 1.00 0.00 O ATOM 0 H ASP A 451 7.240 -8.137 1.498 1.00 0.00 H new ATOM 0 HA ASP A 451 9.653 -9.113 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.728 -10.757 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.317 -10.902 0.870 1.00 0.00 H new ATOM 250 N ILE A 452 7.296 -7.715 -1.060 1.00 0.00 N ATOM 251 CA ILE A 452 6.566 -7.217 -2.238 1.00 0.00 C ATOM 252 C ILE A 452 7.457 -6.279 -3.068 1.00 0.00 C ATOM 253 O ILE A 452 8.155 -5.433 -2.511 1.00 0.00 O ATOM 254 CB ILE A 452 5.239 -6.553 -1.792 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.260 -6.487 -2.978 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.446 -5.160 -1.163 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.869 -5.958 -2.615 1.00 0.00 C ATOM 0 H ILE A 452 7.363 -7.020 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 452 6.305 -8.051 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 452 4.811 -7.177 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.688 -5.851 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.157 -7.484 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.481 -4.746 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 452 6.084 -5.249 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.919 -4.499 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.241 -5.943 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.418 -6.606 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.957 -4.947 -2.216 1.00 0.00 H new ATOM 269 N ASP A 453 7.446 -6.421 -4.394 1.00 0.00 N ATOM 270 CA ASP A 453 8.253 -5.611 -5.318 1.00 0.00 C ATOM 271 C ASP A 453 7.411 -4.619 -6.142 1.00 0.00 C ATOM 272 O ASP A 453 6.180 -4.666 -6.134 1.00 0.00 O ATOM 273 CB ASP A 453 9.094 -6.527 -6.222 1.00 0.00 C ATOM 274 CG ASP A 453 8.268 -7.180 -7.339 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.715 -8.281 -7.109 1.00 0.00 O ATOM 276 OD2 ASP A 453 8.184 -6.578 -8.435 1.00 0.00 O ATOM 0 H ASP A 453 6.867 -7.114 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 453 8.922 -4.998 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.904 -5.948 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.555 -7.306 -5.614 1.00 0.00 H new ATOM 281 N GLU A 454 8.104 -3.739 -6.873 1.00 0.00 N ATOM 282 CA GLU A 454 7.532 -2.680 -7.715 1.00 0.00 C ATOM 283 C GLU A 454 6.343 -3.149 -8.572 1.00 0.00 C ATOM 284 O GLU A 454 5.316 -2.472 -8.609 1.00 0.00 O ATOM 285 CB GLU A 454 8.636 -2.130 -8.635 1.00 0.00 C ATOM 286 CG GLU A 454 8.199 -0.905 -9.449 1.00 0.00 C ATOM 287 CD GLU A 454 9.290 -0.502 -10.449 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.312 0.072 -10.010 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.130 -0.750 -11.667 1.00 0.00 O ATOM 0 H GLU A 454 9.124 -3.745 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 454 7.147 -1.911 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.503 -1.864 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 454 8.953 -2.917 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.274 -1.127 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 454 7.988 -0.072 -8.778 1.00 0.00 H new ATOM 296 N ASP A 455 6.450 -4.299 -9.244 1.00 0.00 N ATOM 297 CA ASP A 455 5.440 -4.777 -10.195 1.00 0.00 C ATOM 298 C ASP A 455 4.198 -5.354 -9.497 1.00 0.00 C ATOM 299 O ASP A 455 3.096 -5.277 -10.041 1.00 0.00 O ATOM 300 CB ASP A 455 6.078 -5.816 -11.128 1.00 0.00 C ATOM 301 CG ASP A 455 5.164 -6.179 -12.310 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.919 -5.301 -13.172 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.728 -7.352 -12.399 1.00 0.00 O ATOM 0 H ASP A 455 7.245 -4.930 -9.143 1.00 0.00 H new ATOM 0 HA ASP A 455 5.092 -3.923 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.023 -5.428 -11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.309 -6.717 -10.560 1.00 0.00 H new ATOM 308 N GLU A 456 4.357 -5.865 -8.273 1.00 0.00 N ATOM 309 CA GLU A 456 3.248 -6.320 -7.428 1.00 0.00 C ATOM 310 C GLU A 456 2.535 -5.140 -6.756 1.00 0.00 C ATOM 311 O GLU A 456 1.305 -5.132 -6.683 1.00 0.00 O ATOM 312 CB GLU A 456 3.753 -7.289 -6.351 1.00 0.00 C ATOM 313 CG GLU A 456 4.199 -8.651 -6.884 1.00 0.00 C ATOM 314 CD GLU A 456 3.024 -9.494 -7.406 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.279 -10.073 -6.581 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.852 -9.609 -8.643 1.00 0.00 O ATOM 0 H GLU A 456 5.271 -5.976 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 456 2.537 -6.834 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.589 -6.826 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.962 -7.441 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.921 -8.504 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.710 -9.198 -6.092 1.00 0.00 H new ATOM 323 N ILE A 457 3.271 -4.108 -6.321 1.00 0.00 N ATOM 324 CA ILE A 457 2.657 -2.859 -5.833 1.00 0.00 C ATOM 325 C ILE A 457 1.920 -2.166 -6.990 1.00 0.00 C ATOM 326 O ILE A 457 0.795 -1.704 -6.802 1.00 0.00 O ATOM 327 CB ILE A 457 3.693 -1.918 -5.167 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.495 -2.590 -4.027 1.00 0.00 C ATOM 329 CG2 ILE A 457 2.960 -0.687 -4.590 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.806 -1.857 -3.714 1.00 0.00 C ATOM 0 H ILE A 457 4.291 -4.110 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 457 1.937 -3.110 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 457 4.406 -1.639 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.880 -2.626 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.717 -3.621 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.683 -0.020 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.448 -0.158 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.231 -1.012 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.327 -2.372 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.437 -1.844 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.587 -0.834 -3.409 1.00 0.00 H new ATOM 342 N THR A 458 2.494 -2.170 -8.202 1.00 0.00 N ATOM 343 CA THR A 458 1.843 -1.656 -9.416 1.00 0.00 C ATOM 344 C THR A 458 0.575 -2.442 -9.709 1.00 0.00 C ATOM 345 O THR A 458 -0.482 -1.832 -9.814 1.00 0.00 O ATOM 346 CB THR A 458 2.801 -1.661 -10.617 1.00 0.00 C ATOM 347 OG1 THR A 458 3.938 -0.890 -10.310 1.00 0.00 O ATOM 348 CG2 THR A 458 2.176 -1.047 -11.871 1.00 0.00 C ATOM 0 H THR A 458 3.432 -2.534 -8.369 1.00 0.00 H new ATOM 0 HA THR A 458 1.565 -0.617 -9.238 1.00 0.00 H new ATOM 0 HB THR A 458 3.047 -2.704 -10.814 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.556 -1.421 -9.765 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.896 -1.076 -12.688 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.288 -1.614 -12.150 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.898 -0.012 -11.670 1.00 0.00 H new ATOM 356 N ALA A 459 0.629 -3.774 -9.775 1.00 0.00 N ATOM 357 CA ALA A 459 -0.549 -4.608 -10.031 1.00 0.00 C ATOM 358 C ALA A 459 -1.640 -4.468 -8.949 1.00 0.00 C ATOM 359 O ALA A 459 -2.827 -4.579 -9.255 1.00 0.00 O ATOM 360 CB ALA A 459 -0.093 -6.064 -10.179 1.00 0.00 C ATOM 0 H ALA A 459 1.491 -4.306 -9.653 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.016 -4.264 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.958 -6.699 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.606 -6.143 -11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.398 -6.387 -9.261 1.00 0.00 H new ATOM 366 N SER A 460 -1.263 -4.166 -7.704 1.00 0.00 N ATOM 367 CA SER A 460 -2.205 -3.923 -6.601 1.00 0.00 C ATOM 368 C SER A 460 -3.025 -2.628 -6.758 1.00 0.00 C ATOM 369 O SER A 460 -4.133 -2.547 -6.220 1.00 0.00 O ATOM 370 CB SER A 460 -1.464 -3.888 -5.255 1.00 0.00 C ATOM 371 OG SER A 460 -0.836 -5.127 -4.960 1.00 0.00 O ATOM 0 H SER A 460 -0.285 -4.082 -7.427 1.00 0.00 H new ATOM 0 HA SER A 460 -2.909 -4.755 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.714 -3.097 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 460 -2.168 -3.640 -4.460 1.00 0.00 H new ATOM 0 HG SER A 460 -0.093 -5.274 -5.582 1.00 0.00 H new ATOM 377 N PHE A 461 -2.529 -1.639 -7.518 1.00 0.00 N ATOM 378 CA PHE A 461 -3.195 -0.345 -7.731 1.00 0.00 C ATOM 379 C PHE A 461 -3.510 -0.053 -9.215 1.00 0.00 C ATOM 380 O PHE A 461 -4.220 0.908 -9.513 1.00 0.00 O ATOM 381 CB PHE A 461 -2.365 0.756 -7.050 1.00 0.00 C ATOM 382 CG PHE A 461 -2.405 0.719 -5.526 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.464 -0.038 -4.802 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.369 1.468 -4.823 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.487 -0.059 -3.396 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.380 1.462 -3.414 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.446 0.693 -2.699 1.00 0.00 C ATOM 0 H PHE A 461 -1.639 -1.718 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.180 -0.376 -7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.329 0.669 -7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.725 1.728 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.716 -0.609 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.101 2.048 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.767 -0.653 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.111 2.052 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.466 0.681 -1.619 1.00 0.00 H new ATOM 397 N ARG A 462 -3.092 -0.921 -10.149 1.00 0.00 N ATOM 398 CA ARG A 462 -3.376 -0.822 -11.593 1.00 0.00 C ATOM 399 C ARG A 462 -4.878 -0.855 -11.925 1.00 0.00 C ATOM 400 O ARG A 462 -5.287 -0.311 -12.954 1.00 0.00 O ATOM 401 CB ARG A 462 -2.599 -1.929 -12.339 1.00 0.00 C ATOM 402 CG ARG A 462 -2.749 -1.928 -13.870 1.00 0.00 C ATOM 403 CD ARG A 462 -2.288 -0.606 -14.498 1.00 0.00 C ATOM 404 NE ARG A 462 -2.571 -0.548 -15.943 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.730 -0.240 -16.516 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.827 -0.007 -15.820 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.803 -0.159 -17.826 1.00 0.00 N ATOM 0 H ARG A 462 -2.529 -1.738 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.035 0.156 -11.933 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.541 -1.833 -12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.927 -2.897 -11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.169 -2.749 -14.290 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.792 -2.108 -14.131 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.786 0.225 -13.998 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.218 -0.481 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.796 -0.767 -16.569 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.806 -0.060 -14.802 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.696 0.226 -16.301 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.974 -0.332 -18.395 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.689 0.077 -18.274 1.00 0.00 H new ATOM 421 N ARG A 463 -5.702 -1.403 -11.023 1.00 0.00 N ATOM 422 CA ARG A 463 -7.175 -1.377 -11.054 1.00 0.00 C ATOM 423 C ARG A 463 -7.798 0.032 -11.157 1.00 0.00 C ATOM 424 O ARG A 463 -8.953 0.157 -11.566 1.00 0.00 O ATOM 425 CB ARG A 463 -7.717 -2.130 -9.822 1.00 0.00 C ATOM 426 CG ARG A 463 -7.261 -1.511 -8.487 1.00 0.00 C ATOM 427 CD ARG A 463 -7.811 -2.257 -7.269 1.00 0.00 C ATOM 428 NE ARG A 463 -9.246 -1.986 -7.060 1.00 0.00 N ATOM 429 CZ ARG A 463 -9.968 -2.349 -6.007 1.00 0.00 C ATOM 430 NH1 ARG A 463 -9.453 -3.044 -5.013 1.00 0.00 N ATOM 431 NH2 ARG A 463 -11.238 -2.010 -5.937 1.00 0.00 N ATOM 0 H ARG A 463 -5.344 -1.903 -10.209 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.475 -1.875 -11.976 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.806 -2.138 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.389 -3.169 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -6.172 -1.510 -8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.582 -0.470 -8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -7.659 -3.328 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.253 -1.963 -6.380 1.00 0.00 H new ATOM 0 HE ARG A 463 -9.730 -1.470 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.471 -3.319 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -10.036 -3.307 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -11.664 -1.470 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -11.796 -2.287 -5.129 1.00 0.00 H new ATOM 445 N PHE A 464 -7.043 1.086 -10.819 1.00 0.00 N ATOM 446 CA PHE A 464 -7.473 2.491 -10.859 1.00 0.00 C ATOM 447 C PHE A 464 -7.009 3.245 -12.121 1.00 0.00 C ATOM 448 O PHE A 464 -7.387 4.401 -12.315 1.00 0.00 O ATOM 449 CB PHE A 464 -6.961 3.171 -9.578 1.00 0.00 C ATOM 450 CG PHE A 464 -7.437 2.496 -8.302 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.815 2.339 -8.065 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.510 1.956 -7.388 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.265 1.643 -6.933 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.963 1.243 -6.263 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.340 1.094 -6.028 1.00 0.00 C ATOM 0 H PHE A 464 -6.081 0.980 -10.498 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.562 2.520 -10.908 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.871 3.179 -9.591 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.287 4.211 -9.573 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.530 2.757 -8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.451 2.090 -7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.324 1.529 -6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.250 0.809 -5.578 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.687 0.560 -5.156 1.00 0.00 H new ATOM 465 N GLY A 465 -6.205 2.602 -12.976 1.00 0.00 N ATOM 466 CA GLY A 465 -5.510 3.200 -14.123 1.00 0.00 C ATOM 467 C GLY A 465 -3.989 2.998 -14.044 1.00 0.00 C ATOM 468 O GLY A 465 -3.494 2.518 -13.020 1.00 0.00 O ATOM 0 H GLY A 465 -6.012 1.605 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.887 2.758 -15.046 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.732 4.266 -14.166 1.00 0.00 H new ATOM 472 N PRO A 466 -3.239 3.323 -15.116 1.00 0.00 N ATOM 473 CA PRO A 466 -1.793 3.125 -15.181 1.00 0.00 C ATOM 474 C PRO A 466 -1.038 4.057 -14.224 1.00 0.00 C ATOM 475 O PRO A 466 -1.486 5.165 -13.916 1.00 0.00 O ATOM 476 CB PRO A 466 -1.411 3.343 -16.648 1.00 0.00 C ATOM 477 CG PRO A 466 -2.508 4.266 -17.172 1.00 0.00 C ATOM 478 CD PRO A 466 -3.742 3.842 -16.380 1.00 0.00 C ATOM 0 HA PRO A 466 -1.512 2.124 -14.853 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.425 3.798 -16.742 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.382 2.403 -17.198 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.264 5.315 -17.003 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.658 4.142 -18.245 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.412 4.686 -16.218 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.310 3.082 -16.917 1.00 0.00 H new ATOM 486 N LEU A 467 0.121 3.583 -13.753 1.00 0.00 N ATOM 487 CA LEU A 467 0.933 4.200 -12.704 1.00 0.00 C ATOM 488 C LEU A 467 2.388 3.695 -12.719 1.00 0.00 C ATOM 489 O LEU A 467 2.717 2.734 -13.417 1.00 0.00 O ATOM 490 CB LEU A 467 0.275 3.961 -11.316 1.00 0.00 C ATOM 491 CG LEU A 467 0.395 2.537 -10.720 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.174 2.588 -9.205 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.612 1.551 -11.327 1.00 0.00 C ATOM 0 H LEU A 467 0.534 2.721 -14.110 1.00 0.00 H new ATOM 0 HA LEU A 467 0.973 5.271 -12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.713 4.663 -10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.784 4.207 -11.396 1.00 0.00 H new ATOM 0 HG LEU A 467 1.398 2.182 -10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.260 1.583 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.925 3.234 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.820 2.983 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.481 0.570 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.626 1.905 -11.140 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.446 1.477 -12.402 1.00 0.00 H new ATOM 505 N VAL A 468 3.235 4.313 -11.892 1.00 0.00 N ATOM 506 CA VAL A 468 4.586 3.840 -11.539 1.00 0.00 C ATOM 507 C VAL A 468 4.770 3.957 -10.016 1.00 0.00 C ATOM 508 O VAL A 468 4.025 4.693 -9.369 1.00 0.00 O ATOM 509 CB VAL A 468 5.695 4.563 -12.350 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.101 5.937 -11.824 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.936 3.672 -12.490 1.00 0.00 C ATOM 0 H VAL A 468 2.994 5.190 -11.430 1.00 0.00 H new ATOM 0 HA VAL A 468 4.686 2.791 -11.816 1.00 0.00 H new ATOM 0 HB VAL A 468 5.242 4.747 -13.324 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.881 6.355 -12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.235 6.599 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.478 5.840 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.700 4.199 -13.062 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.325 3.432 -11.500 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.666 2.751 -13.007 1.00 0.00 H new ATOM 521 N VAL A 469 5.724 3.224 -9.433 1.00 0.00 N ATOM 522 CA VAL A 469 5.914 3.120 -7.972 1.00 0.00 C ATOM 523 C VAL A 469 7.384 3.360 -7.605 1.00 0.00 C ATOM 524 O VAL A 469 8.288 2.840 -8.259 1.00 0.00 O ATOM 525 CB VAL A 469 5.426 1.750 -7.443 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.570 1.645 -5.914 1.00 0.00 C ATOM 527 CG2 VAL A 469 3.953 1.496 -7.812 1.00 0.00 C ATOM 0 H VAL A 469 6.399 2.676 -9.966 1.00 0.00 H new ATOM 0 HA VAL A 469 5.311 3.892 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 469 6.057 0.999 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.217 0.669 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.618 1.765 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 469 4.978 2.427 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.643 0.525 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.329 2.276 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.843 1.506 -8.896 1.00 0.00 H new ATOM 537 N ASP A 470 7.613 4.148 -6.552 1.00 0.00 N ATOM 538 CA ASP A 470 8.927 4.629 -6.106 1.00 0.00 C ATOM 539 C ASP A 470 8.981 4.800 -4.573 1.00 0.00 C ATOM 540 O ASP A 470 7.947 4.920 -3.917 1.00 0.00 O ATOM 541 CB ASP A 470 9.230 5.949 -6.836 1.00 0.00 C ATOM 542 CG ASP A 470 10.650 6.467 -6.563 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.615 5.716 -6.838 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.791 7.617 -6.087 1.00 0.00 O ATOM 0 H ASP A 470 6.855 4.485 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 470 9.690 3.891 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.101 5.804 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.507 6.704 -6.527 1.00 0.00 H new ATOM 786 N GLY A 485 8.394 -0.817 4.889 1.00 0.00 N ATOM 787 CA GLY A 485 7.015 -1.136 4.502 1.00 0.00 C ATOM 788 C GLY A 485 6.210 0.056 3.986 1.00 0.00 C ATOM 789 O GLY A 485 5.007 0.114 4.232 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.036 -1.905 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.499 -1.562 5.362 1.00 0.00 H new ATOM 793 N TYR A 486 6.824 1.000 3.264 1.00 0.00 N ATOM 794 CA TYR A 486 6.104 2.141 2.676 1.00 0.00 C ATOM 795 C TYR A 486 6.688 2.652 1.346 1.00 0.00 C ATOM 796 O TYR A 486 7.894 2.564 1.104 1.00 0.00 O ATOM 797 CB TYR A 486 5.953 3.272 3.707 1.00 0.00 C ATOM 798 CG TYR A 486 7.235 3.917 4.203 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.898 4.880 3.417 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.729 3.605 5.486 1.00 0.00 C ATOM 801 CE1 TYR A 486 9.050 5.526 3.903 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.873 4.257 5.984 1.00 0.00 C ATOM 803 CZ TYR A 486 9.542 5.217 5.191 1.00 0.00 C ATOM 804 OH TYR A 486 10.647 5.850 5.675 1.00 0.00 O ATOM 0 H TYR A 486 7.825 0.998 3.070 1.00 0.00 H new ATOM 0 HA TYR A 486 5.115 1.766 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.328 4.050 3.270 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.415 2.877 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 486 7.520 5.124 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.228 2.863 6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.558 6.258 3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.240 4.024 6.973 1.00 0.00 H new ATOM 0 HH TYR A 486 10.846 5.518 6.575 1.00 0.00 H new ATOM 814 N ALA A 487 5.821 3.202 0.488 1.00 0.00 N ATOM 815 CA ALA A 487 6.157 3.677 -0.858 1.00 0.00 C ATOM 816 C ALA A 487 5.189 4.769 -1.347 1.00 0.00 C ATOM 817 O ALA A 487 4.170 5.051 -0.710 1.00 0.00 O ATOM 818 CB ALA A 487 6.169 2.471 -1.814 1.00 0.00 C ATOM 0 H ALA A 487 4.836 3.333 0.719 1.00 0.00 H new ATOM 0 HA ALA A 487 7.144 4.139 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.417 2.807 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.913 1.748 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 487 5.185 2.002 -1.821 1.00 0.00 H new ATOM 824 N PHE A 488 5.509 5.350 -2.504 1.00 0.00 N ATOM 825 CA PHE A 488 4.723 6.356 -3.210 1.00 0.00 C ATOM 826 C PHE A 488 4.300 5.830 -4.590 1.00 0.00 C ATOM 827 O PHE A 488 5.135 5.493 -5.433 1.00 0.00 O ATOM 828 CB PHE A 488 5.553 7.639 -3.369 1.00 0.00 C ATOM 829 CG PHE A 488 5.910 8.349 -2.077 1.00 0.00 C ATOM 830 CD1 PHE A 488 5.025 9.293 -1.520 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.150 8.102 -1.455 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.392 10.010 -0.367 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.508 8.805 -0.290 1.00 0.00 C ATOM 834 CZ PHE A 488 6.633 9.765 0.249 1.00 0.00 C ATOM 0 H PHE A 488 6.370 5.117 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 488 3.826 6.576 -2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.475 7.392 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.001 8.332 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 488 4.063 9.466 -1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.827 7.372 -1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.721 10.749 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.455 8.607 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.914 10.314 1.136 1.00 0.00 H new ATOM 844 N LEU A 489 2.989 5.799 -4.822 1.00 0.00 N ATOM 845 CA LEU A 489 2.365 5.563 -6.123 1.00 0.00 C ATOM 846 C LEU A 489 2.323 6.887 -6.889 1.00 0.00 C ATOM 847 O LEU A 489 2.022 7.924 -6.293 1.00 0.00 O ATOM 848 CB LEU A 489 0.920 5.058 -5.939 1.00 0.00 C ATOM 849 CG LEU A 489 0.693 3.930 -4.916 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.811 3.669 -4.809 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.428 2.637 -5.281 1.00 0.00 C ATOM 0 H LEU A 489 2.305 5.943 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 489 2.941 4.815 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.300 5.906 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.557 4.714 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 489 1.102 4.254 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.992 2.872 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.315 4.577 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.199 3.372 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.230 1.879 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.078 2.281 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.500 2.829 -5.330 1.00 0.00 H new ATOM 863 N LEU A 490 2.559 6.840 -8.198 1.00 0.00 N ATOM 864 CA LEU A 490 2.447 7.961 -9.132 1.00 0.00 C ATOM 865 C LEU A 490 1.511 7.543 -10.271 1.00 0.00 C ATOM 866 O LEU A 490 1.915 6.766 -11.141 1.00 0.00 O ATOM 867 CB LEU A 490 3.837 8.307 -9.702 1.00 0.00 C ATOM 868 CG LEU A 490 4.981 8.596 -8.717 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.263 8.816 -9.534 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.683 9.818 -7.843 1.00 0.00 C ATOM 0 H LEU A 490 2.848 5.978 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 490 2.051 8.838 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.149 7.480 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.724 9.180 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 490 5.098 7.750 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 490 7.093 9.024 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.483 7.920 -10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 490 6.124 9.661 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.516 9.989 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.548 10.694 -8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.773 9.642 -7.269 1.00 0.00 H new ATOM 882 N PHE A 491 0.267 8.025 -10.263 1.00 0.00 N ATOM 883 CA PHE A 491 -0.733 7.693 -11.284 1.00 0.00 C ATOM 884 C PHE A 491 -0.596 8.574 -12.537 1.00 0.00 C ATOM 885 O PHE A 491 -0.064 9.685 -12.483 1.00 0.00 O ATOM 886 CB PHE A 491 -2.140 7.789 -10.675 1.00 0.00 C ATOM 887 CG PHE A 491 -2.447 6.725 -9.635 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.975 5.477 -10.028 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.210 6.976 -8.269 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.254 4.492 -9.065 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.509 5.996 -7.305 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.031 4.754 -7.704 1.00 0.00 C ATOM 0 H PHE A 491 -0.079 8.661 -9.544 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.560 6.669 -11.614 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.259 8.771 -10.218 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.875 7.719 -11.477 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.165 5.278 -11.072 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.797 7.925 -7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.641 3.532 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.337 6.198 -6.258 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.261 4.001 -6.964 1.00 0.00 H new ATOM 902 N GLN A 492 -1.105 8.092 -13.675 1.00 0.00 N ATOM 903 CA GLN A 492 -1.113 8.840 -14.940 1.00 0.00 C ATOM 904 C GLN A 492 -2.180 9.954 -14.965 1.00 0.00 C ATOM 905 O GLN A 492 -2.001 10.953 -15.661 1.00 0.00 O ATOM 906 CB GLN A 492 -1.314 7.843 -16.092 1.00 0.00 C ATOM 907 CG GLN A 492 -1.064 8.456 -17.481 1.00 0.00 C ATOM 908 CD GLN A 492 -1.172 7.414 -18.596 1.00 0.00 C ATOM 909 OE1 GLN A 492 -2.221 7.206 -19.194 1.00 0.00 O ATOM 910 NE2 GLN A 492 -0.103 6.711 -18.919 1.00 0.00 N ATOM 0 H GLN A 492 -1.526 7.166 -13.747 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.156 9.350 -15.051 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.643 6.996 -15.951 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.331 7.454 -16.053 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.784 9.254 -17.660 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -0.073 8.910 -17.504 1.00 0.00 H new ATOM 0 HE21 GLN A 492 0.779 6.871 -18.432 1.00 0.00 H new ATOM 0 HE22 GLN A 492 -0.158 6.008 -19.656 1.00 0.00 H new ATOM 919 N GLU A 493 -3.257 9.822 -14.179 1.00 0.00 N ATOM 920 CA GLU A 493 -4.379 10.768 -14.115 1.00 0.00 C ATOM 921 C GLU A 493 -4.828 10.993 -12.664 1.00 0.00 C ATOM 922 O GLU A 493 -4.840 10.066 -11.852 1.00 0.00 O ATOM 923 CB GLU A 493 -5.567 10.239 -14.940 1.00 0.00 C ATOM 924 CG GLU A 493 -5.346 10.247 -16.462 1.00 0.00 C ATOM 925 CD GLU A 493 -5.186 11.653 -17.074 1.00 0.00 C ATOM 926 OE1 GLU A 493 -5.624 12.659 -16.465 1.00 0.00 O ATOM 927 OE2 GLU A 493 -4.660 11.755 -18.207 1.00 0.00 O ATOM 0 H GLU A 493 -3.375 9.028 -13.550 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.040 11.718 -14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.786 9.219 -14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.447 10.840 -14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.456 9.661 -16.691 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -6.188 9.749 -16.942 1.00 0.00 H new ATOM 934 N GLU A 494 -5.242 12.222 -12.340 1.00 0.00 N ATOM 935 CA GLU A 494 -5.807 12.568 -11.024 1.00 0.00 C ATOM 936 C GLU A 494 -7.094 11.769 -10.742 1.00 0.00 C ATOM 937 O GLU A 494 -7.344 11.352 -9.610 1.00 0.00 O ATOM 938 CB GLU A 494 -6.092 14.079 -10.952 1.00 0.00 C ATOM 939 CG GLU A 494 -4.822 14.938 -11.014 1.00 0.00 C ATOM 940 CD GLU A 494 -5.154 16.439 -11.045 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.695 16.921 -12.069 1.00 0.00 O ATOM 942 OE2 GLU A 494 -4.849 17.153 -10.061 1.00 0.00 O ATOM 0 H GLU A 494 -5.196 13.012 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.074 12.305 -10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.751 14.357 -11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.626 14.298 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.193 14.722 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.246 14.674 -11.901 1.00 0.00 H new ATOM 949 N SER A 495 -7.869 11.455 -11.782 1.00 0.00 N ATOM 950 CA SER A 495 -9.054 10.589 -11.711 1.00 0.00 C ATOM 951 C SER A 495 -8.744 9.191 -11.148 1.00 0.00 C ATOM 952 O SER A 495 -9.596 8.591 -10.495 1.00 0.00 O ATOM 953 CB SER A 495 -9.677 10.445 -13.108 1.00 0.00 C ATOM 954 OG SER A 495 -9.923 11.717 -13.699 1.00 0.00 O ATOM 0 H SER A 495 -7.687 11.804 -12.723 1.00 0.00 H new ATOM 0 HA SER A 495 -9.753 11.068 -11.025 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.010 9.867 -13.748 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.611 9.888 -13.036 1.00 0.00 H new ATOM 0 HG SER A 495 -10.318 11.594 -14.588 1.00 0.00 H new ATOM 960 N SER A 496 -7.517 8.683 -11.310 1.00 0.00 N ATOM 961 CA SER A 496 -7.091 7.410 -10.715 1.00 0.00 C ATOM 962 C SER A 496 -6.896 7.522 -9.194 1.00 0.00 C ATOM 963 O SER A 496 -7.131 6.555 -8.470 1.00 0.00 O ATOM 964 CB SER A 496 -5.780 6.936 -11.353 1.00 0.00 C ATOM 965 OG SER A 496 -5.850 6.889 -12.772 1.00 0.00 O ATOM 0 H SER A 496 -6.790 9.143 -11.858 1.00 0.00 H new ATOM 0 HA SER A 496 -7.884 6.687 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 496 -4.972 7.604 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.532 5.945 -10.972 1.00 0.00 H new ATOM 0 HG SER A 496 -6.352 6.094 -13.049 1.00 0.00 H new ATOM 971 N VAL A 497 -6.540 8.710 -8.688 1.00 0.00 N ATOM 972 CA VAL A 497 -6.434 8.966 -7.241 1.00 0.00 C ATOM 973 C VAL A 497 -7.833 9.061 -6.628 1.00 0.00 C ATOM 974 O VAL A 497 -8.072 8.504 -5.561 1.00 0.00 O ATOM 975 CB VAL A 497 -5.599 10.229 -6.923 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.477 10.457 -5.408 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.189 10.120 -7.528 1.00 0.00 C ATOM 0 H VAL A 497 -6.317 9.520 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 497 -5.902 8.127 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.122 11.076 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -4.884 11.352 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.471 10.583 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -4.990 9.597 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.621 11.020 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.681 9.250 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.265 10.013 -8.610 1.00 0.00 H new ATOM 987 N GLN A 498 -8.791 9.684 -7.324 1.00 0.00 N ATOM 988 CA GLN A 498 -10.194 9.700 -6.900 1.00 0.00 C ATOM 989 C GLN A 498 -10.825 8.301 -6.951 1.00 0.00 C ATOM 990 O GLN A 498 -11.570 7.946 -6.041 1.00 0.00 O ATOM 991 CB GLN A 498 -10.964 10.679 -7.800 1.00 0.00 C ATOM 992 CG GLN A 498 -12.472 10.793 -7.511 1.00 0.00 C ATOM 993 CD GLN A 498 -12.792 11.258 -6.090 1.00 0.00 C ATOM 994 OE1 GLN A 498 -12.933 12.442 -5.813 1.00 0.00 O ATOM 995 NE2 GLN A 498 -12.918 10.355 -5.139 1.00 0.00 N ATOM 0 H GLN A 498 -8.616 10.189 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.246 10.026 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.516 11.668 -7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -10.832 10.373 -8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -12.917 11.490 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -12.940 9.823 -7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -12.803 9.365 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.131 10.646 -4.185 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.507 7.494 -7.967 1.00 0.00 N ATOM 1005 CA ALA A 499 -10.953 6.099 -8.052 1.00 0.00 C ATOM 1006 C ALA A 499 -10.416 5.242 -6.891 1.00 0.00 C ATOM 1007 O ALA A 499 -11.151 4.410 -6.354 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.530 5.513 -9.403 1.00 0.00 C ATOM 0 H ALA A 499 -9.932 7.789 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.040 6.085 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.860 4.476 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -10.984 6.091 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.445 5.555 -9.494 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.168 5.481 -6.469 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.593 4.877 -5.267 1.00 0.00 C ATOM 1016 C LEU A 500 -9.339 5.340 -4.006 1.00 0.00 C ATOM 1017 O LEU A 500 -9.759 4.506 -3.208 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.079 5.166 -5.237 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.362 4.815 -3.918 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.549 3.357 -3.487 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.860 5.086 -4.077 1.00 0.00 C ATOM 0 H LEU A 500 -8.526 6.105 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.717 3.794 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.605 4.611 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -6.925 6.225 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.809 5.440 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.017 3.183 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.610 3.153 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.153 2.696 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.346 4.840 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.463 4.472 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.703 6.139 -4.311 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.567 6.648 -3.843 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.333 7.220 -2.715 1.00 0.00 C ATOM 1035 C ILE A 501 -11.739 6.599 -2.618 1.00 0.00 C ATOM 1036 O ILE A 501 -12.184 6.252 -1.526 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.388 8.765 -2.830 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -8.987 9.383 -2.615 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.380 9.371 -1.817 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -8.848 10.830 -3.102 1.00 0.00 C ATOM 0 H ILE A 501 -9.223 7.353 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.817 6.972 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.733 9.001 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.747 9.346 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.249 8.767 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.393 10.456 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.378 8.975 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.071 9.111 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -7.834 11.182 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.053 10.875 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.558 11.463 -2.570 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.411 6.397 -3.753 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.749 5.794 -3.838 1.00 0.00 C ATOM 1054 C ASP A 502 -13.775 4.289 -3.484 1.00 0.00 C ATOM 1055 O ASP A 502 -14.836 3.754 -3.153 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.307 6.050 -5.248 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.777 5.627 -5.393 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.652 6.267 -4.760 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.062 4.686 -6.172 1.00 0.00 O ATOM 0 H ASP A 502 -12.032 6.654 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.382 6.267 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.214 7.110 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.704 5.508 -5.976 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.617 3.615 -3.500 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.452 2.214 -3.100 1.00 0.00 C ATOM 1066 C ALA A 503 -11.886 2.045 -1.676 1.00 0.00 C ATOM 1067 O ALA A 503 -11.947 0.944 -1.121 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.559 1.531 -4.142 1.00 0.00 C ATOM 0 H ALA A 503 -11.743 4.045 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.435 1.744 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.418 0.485 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.032 1.591 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.591 2.031 -4.175 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.355 3.112 -1.068 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.772 3.080 0.273 1.00 0.00 C ATOM 1076 C CYS A 504 -11.828 3.025 1.395 1.00 0.00 C ATOM 1077 O CYS A 504 -12.909 3.615 1.302 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.890 4.323 0.474 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.316 4.166 -0.414 1.00 0.00 S ATOM 0 H CYS A 504 -11.319 4.034 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.185 2.164 0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.421 5.208 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.697 4.467 1.537 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.525 4.282 -1.692 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.466 2.350 2.488 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.143 2.406 3.787 1.00 0.00 C ATOM 1087 C LEU A 505 -11.639 3.651 4.539 1.00 0.00 C ATOM 1088 O LEU A 505 -10.703 4.310 4.085 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.852 1.112 4.577 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.399 -0.172 3.926 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.893 -1.397 4.702 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.935 -0.192 3.870 1.00 0.00 C ATOM 0 H LEU A 505 -10.661 1.724 2.493 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.223 2.481 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.774 1.011 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.278 1.208 5.576 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.036 -0.199 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.281 -2.305 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.803 -1.416 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.236 -1.340 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.270 -1.118 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.337 -0.130 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.289 0.658 3.286 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.233 3.969 5.689 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.982 5.230 6.404 1.00 0.00 C ATOM 1106 C GLU A 506 -12.041 5.064 7.934 1.00 0.00 C ATOM 1107 O GLU A 506 -12.904 4.353 8.457 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.985 6.291 5.912 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.685 7.706 6.426 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.726 8.708 5.904 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.810 8.833 6.523 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.469 9.381 4.878 1.00 0.00 O ATOM 0 H GLU A 506 -12.905 3.360 6.156 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.966 5.556 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.984 6.302 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.988 6.004 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.685 7.709 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.688 8.010 6.106 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.338 6.939 5.363 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.907 6.025 4.365 1.00 0.00 C ATOM 1177 C LEU A 511 -7.129 4.707 4.358 1.00 0.00 C ATOM 1178 O LEU A 511 -5.938 4.690 4.669 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.906 6.687 2.972 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.861 7.886 2.798 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.677 8.466 1.388 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.334 7.505 3.008 1.00 0.00 C ATOM 0 HA LEU A 511 -8.942 5.805 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.892 7.019 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.164 5.931 2.231 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.610 8.624 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.347 9.315 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.645 8.795 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -8.907 7.701 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.961 8.387 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.620 6.743 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.469 7.115 4.017 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.785 3.607 3.986 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.178 2.270 3.941 1.00 0.00 C ATOM 1196 C TYR A 512 -7.632 1.434 2.734 1.00 0.00 C ATOM 1197 O TYR A 512 -8.808 1.423 2.371 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.456 1.496 5.243 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.774 2.043 6.484 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.400 3.030 7.273 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.517 1.536 6.866 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.767 3.516 8.433 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.880 2.015 8.025 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.503 3.009 8.812 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.888 3.470 9.936 1.00 0.00 O ATOM 0 H TYR A 512 -8.765 3.616 3.703 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.106 2.435 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.532 1.484 5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.144 0.461 5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.368 3.414 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.040 0.775 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.247 4.275 9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.916 1.623 8.313 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.028 3.014 10.049 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.695 0.678 2.159 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.921 -0.365 1.152 1.00 0.00 C ATOM 1217 C LEU A 513 -6.284 -1.675 1.659 1.00 0.00 C ATOM 1218 O LEU A 513 -5.855 -1.729 2.814 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.341 0.120 -0.197 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.113 -0.429 -1.411 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.408 0.376 -1.624 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.268 -0.349 -2.684 1.00 0.00 C ATOM 0 H LEU A 513 -5.708 0.780 2.394 1.00 0.00 H new ATOM 0 HA LEU A 513 -7.981 -0.562 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.358 1.210 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.297 -0.184 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.351 -1.473 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.946 -0.021 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.036 0.297 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.161 1.423 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.839 -0.743 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.004 0.690 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.359 -0.937 -2.555 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.175 -2.720 0.833 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.571 -4.002 1.218 1.00 0.00 C ATOM 1236 C CYS A 514 -4.729 -4.649 0.099 1.00 0.00 C ATOM 1237 O CYS A 514 -4.995 -4.442 -1.087 1.00 0.00 O ATOM 1238 CB CYS A 514 -6.663 -4.935 1.777 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.938 -5.268 0.522 1.00 0.00 S ATOM 0 H CYS A 514 -6.506 -2.701 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 514 -4.845 -3.810 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.214 -5.873 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.121 -4.480 2.655 1.00 0.00 H new ATOM 0 HG CYS A 514 -8.842 -6.058 1.021 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.702 -5.412 0.494 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.654 -6.001 -0.374 1.00 0.00 C ATOM 1247 C VAL A 515 -2.088 -7.303 0.228 1.00 0.00 C ATOM 1248 O VAL A 515 -2.468 -7.699 1.330 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.500 -5.000 -0.671 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -1.951 -3.760 -1.459 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.785 -4.540 0.607 1.00 0.00 C ATOM 0 H VAL A 515 -3.565 -5.652 1.476 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.139 -6.238 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 515 -0.806 -5.565 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.095 -3.107 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.368 -4.070 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.710 -3.223 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 515 0.012 -3.843 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.499 -4.046 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.359 -5.404 1.117 1.00 0.00 H new ATOM 1261 N SER A 516 -1.176 -7.977 -0.478 1.00 0.00 N ATOM 1262 CA SER A 516 -0.622 -9.292 -0.108 1.00 0.00 C ATOM 1263 C SER A 516 0.717 -9.603 -0.817 1.00 0.00 C ATOM 1264 O SER A 516 1.149 -8.889 -1.725 1.00 0.00 O ATOM 1265 CB SER A 516 -1.660 -10.397 -0.391 1.00 0.00 C ATOM 1266 OG SER A 516 -2.034 -10.449 -1.763 1.00 0.00 O ATOM 0 H SER A 516 -0.788 -7.616 -1.350 1.00 0.00 H new ATOM 0 HA SER A 516 -0.403 -9.262 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.251 -11.362 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 516 -2.547 -10.224 0.219 1.00 0.00 H new ATOM 0 HG SER A 516 -2.691 -11.164 -1.896 1.00 0.00 H new ATOM 1272 N SER A 517 1.390 -10.677 -0.401 1.00 0.00 N ATOM 1273 CA SER A 517 2.696 -11.141 -0.892 1.00 0.00 C ATOM 1274 C SER A 517 2.839 -12.670 -0.686 1.00 0.00 C ATOM 1275 O SER A 517 1.925 -13.297 -0.128 1.00 0.00 O ATOM 1276 CB SER A 517 3.807 -10.383 -0.140 1.00 0.00 C ATOM 1277 OG SER A 517 3.977 -10.919 1.166 1.00 0.00 O ATOM 0 H SER A 517 1.020 -11.284 0.330 1.00 0.00 H new ATOM 0 HA SER A 517 2.780 -10.940 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.743 -10.454 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.554 -9.325 -0.075 1.00 0.00 H new ATOM 0 HG SER A 517 4.687 -10.429 1.631 1.00 0.00 H new ATOM 1283 N PRO A 518 3.972 -13.302 -1.057 1.00 0.00 N ATOM 1284 CA PRO A 518 4.251 -14.698 -0.715 1.00 0.00 C ATOM 1285 C PRO A 518 4.286 -14.986 0.797 1.00 0.00 C ATOM 1286 O PRO A 518 4.104 -16.141 1.185 1.00 0.00 O ATOM 1287 CB PRO A 518 5.599 -15.027 -1.368 1.00 0.00 C ATOM 1288 CG PRO A 518 5.687 -14.031 -2.521 1.00 0.00 C ATOM 1289 CD PRO A 518 5.022 -12.793 -1.928 1.00 0.00 C ATOM 0 HA PRO A 518 3.440 -15.327 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.425 -14.905 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.632 -16.057 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.719 -13.838 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.165 -14.388 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.739 -12.191 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.610 -12.155 -2.710 1.00 0.00 H new ATOM 1297 N THR A 519 4.474 -13.962 1.648 1.00 0.00 N ATOM 1298 CA THR A 519 4.637 -14.093 3.108 1.00 0.00 C ATOM 1299 C THR A 519 3.511 -13.459 3.926 1.00 0.00 C ATOM 1300 O THR A 519 3.328 -13.841 5.082 1.00 0.00 O ATOM 1301 CB THR A 519 5.981 -13.496 3.548 1.00 0.00 C ATOM 1302 OG1 THR A 519 6.065 -12.154 3.117 1.00 0.00 O ATOM 1303 CG2 THR A 519 7.169 -14.264 2.965 1.00 0.00 C ATOM 0 H THR A 519 4.518 -12.993 1.331 1.00 0.00 H new ATOM 0 HA THR A 519 4.602 -15.164 3.310 1.00 0.00 H new ATOM 0 HB THR A 519 6.025 -13.563 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.922 -11.773 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 519 8.099 -13.807 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 519 7.132 -15.301 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 519 7.124 -14.233 1.876 1.00 0.00 H new ATOM 1311 N ILE A 520 2.728 -12.543 3.348 1.00 0.00 N ATOM 1312 CA ILE A 520 1.699 -11.739 4.037 1.00 0.00 C ATOM 1313 C ILE A 520 0.381 -11.769 3.250 1.00 0.00 C ATOM 1314 O ILE A 520 0.374 -11.639 2.028 1.00 0.00 O ATOM 1315 CB ILE A 520 2.227 -10.291 4.213 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.493 -10.176 5.093 1.00 0.00 C ATOM 1317 CG2 ILE A 520 1.143 -9.340 4.743 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.325 -10.579 6.564 1.00 0.00 C ATOM 0 H ILE A 520 2.791 -12.329 2.353 1.00 0.00 H new ATOM 0 HA ILE A 520 1.496 -12.159 5.022 1.00 0.00 H new ATOM 0 HB ILE A 520 2.513 -9.989 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 520 4.275 -10.795 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.845 -9.145 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.559 -8.338 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.308 -9.313 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.792 -9.693 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.275 -10.459 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.572 -9.945 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.009 -11.620 6.622 1.00 0.00 H new ATOM 1330 N LYS A 521 -0.748 -11.924 3.946 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.075 -12.150 3.351 1.00 0.00 C ATOM 1332 C LYS A 521 -3.147 -11.217 3.952 1.00 0.00 C ATOM 1333 O LYS A 521 -3.181 -11.014 5.167 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.466 -13.627 3.566 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.525 -14.673 2.941 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.466 -14.614 1.406 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.607 -15.748 0.825 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.836 -15.582 1.142 1.00 0.00 N ATOM 0 H LYS A 521 -0.769 -11.896 4.965 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.022 -11.923 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.524 -13.814 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.466 -13.780 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.521 -14.529 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -1.850 -15.668 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.476 -14.678 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.058 -13.652 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -0.956 -16.703 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.738 -15.782 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 1.368 -16.396 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 1.190 -14.709 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.961 -15.525 2.173 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.020 -10.666 3.095 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.198 -9.834 3.477 1.00 0.00 C ATOM 1354 C ASP A 522 -4.821 -8.587 4.314 1.00 0.00 C ATOM 1355 O ASP A 522 -5.593 -8.101 5.141 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.245 -10.741 4.162 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.633 -10.088 4.306 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.149 -9.537 3.304 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.229 -10.178 5.407 1.00 0.00 O ATOM 0 H ASP A 522 -3.934 -10.783 2.085 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.639 -9.413 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.345 -11.662 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -5.880 -11.019 5.151 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.604 -8.068 4.119 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.038 -6.973 4.911 1.00 0.00 C ATOM 1366 C LYS A 523 -3.716 -5.628 4.580 1.00 0.00 C ATOM 1367 O LYS A 523 -3.721 -5.258 3.397 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.530 -6.914 4.618 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.754 -5.899 5.472 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.445 -6.436 6.876 1.00 0.00 C ATOM 1371 CE LYS A 523 0.278 -5.399 7.747 1.00 0.00 C ATOM 1372 NZ LYS A 523 1.670 -5.131 7.298 1.00 0.00 N ATOM 0 H LYS A 523 -2.973 -8.405 3.392 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.212 -7.156 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.103 -7.904 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.387 -6.669 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.179 -5.643 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.334 -4.980 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.374 -6.732 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.171 -7.331 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 523 -0.287 -4.467 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 523 0.296 -5.749 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 2.207 -4.693 8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 2.125 -6.025 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.653 -4.487 6.481 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.229 -4.874 5.577 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.716 -3.516 5.383 1.00 0.00 C ATOM 1388 C PRO A 524 -3.526 -2.553 5.322 1.00 0.00 C ATOM 1389 O PRO A 524 -2.542 -2.721 6.042 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.620 -3.223 6.583 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.012 -4.070 7.703 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.315 -5.232 6.987 1.00 0.00 C ATOM 0 HA PRO A 524 -5.269 -3.396 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.620 -2.163 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.654 -3.503 6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.305 -3.491 8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.781 -4.431 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.322 -5.401 7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.877 -6.157 7.116 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.625 -1.538 4.465 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.549 -0.573 4.186 1.00 0.00 C ATOM 1402 C VAL A 525 -3.106 0.844 4.105 1.00 0.00 C ATOM 1403 O VAL A 525 -4.144 1.073 3.491 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.746 -0.938 2.916 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.847 -2.148 3.220 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.607 -1.225 1.668 1.00 0.00 C ATOM 0 H VAL A 525 -4.474 -1.355 3.930 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.847 -0.619 5.019 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.156 -0.056 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.278 -2.411 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.160 -1.897 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.465 -2.995 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.958 -1.472 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.273 -2.064 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.198 -0.343 1.423 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.437 1.779 4.780 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.891 3.156 4.964 1.00 0.00 C ATOM 1418 C GLN A 526 -2.557 3.989 3.724 1.00 0.00 C ATOM 1419 O GLN A 526 -1.426 3.963 3.246 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.231 3.739 6.224 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.938 5.023 6.694 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.336 5.614 7.974 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.731 4.941 8.800 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.474 6.907 8.190 1.00 0.00 N ATOM 0 H GLN A 526 -1.539 1.593 5.226 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.973 3.177 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.254 2.998 7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.182 3.955 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.888 5.768 5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.993 4.807 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.974 7.486 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -2.081 7.328 9.032 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.536 4.736 3.212 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.472 5.466 1.939 1.00 0.00 C ATOM 1435 C ILE A 527 -3.522 6.970 2.224 1.00 0.00 C ATOM 1436 O ILE A 527 -4.409 7.448 2.939 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.641 5.024 1.023 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.782 3.491 0.878 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.534 5.657 -0.375 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.553 2.756 0.328 1.00 0.00 C ATOM 0 H ILE A 527 -4.430 4.856 3.688 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.540 5.242 1.421 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.538 5.385 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.024 3.073 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.629 3.283 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.370 5.325 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.559 6.743 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.597 5.353 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.764 1.688 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.317 3.135 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.703 2.922 0.990 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.575 7.728 1.670 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.401 9.166 1.912 1.00 0.00 C ATOM 1454 C ARG A 528 -2.131 9.897 0.584 1.00 0.00 C ATOM 1455 O ARG A 528 -0.967 10.035 0.192 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.263 9.375 2.934 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.535 8.946 4.389 1.00 0.00 C ATOM 1458 CD ARG A 528 -2.531 9.826 5.157 1.00 0.00 C ATOM 1459 NE ARG A 528 -3.920 9.569 4.742 1.00 0.00 N ATOM 1460 CZ ARG A 528 -5.011 10.207 5.138 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -4.998 11.116 6.087 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -6.161 9.912 4.575 1.00 0.00 N ATOM 0 H ARG A 528 -1.886 7.350 1.020 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.313 9.590 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.387 8.832 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.002 10.433 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -1.908 7.922 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -0.589 8.938 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -2.431 9.640 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -2.291 10.876 4.992 1.00 0.00 H new ATOM 0 HE ARG A 528 -4.058 8.812 4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -4.122 11.356 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -5.864 11.582 6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -6.204 9.201 3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -7.011 10.394 4.868 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.190 10.351 -0.122 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.070 11.180 -1.317 1.00 0.00 C ATOM 1478 C PRO A 529 -2.301 12.467 -1.012 1.00 0.00 C ATOM 1479 O PRO A 529 -2.547 13.108 0.012 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.505 11.469 -1.773 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.302 10.298 -1.203 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.594 10.043 0.125 1.00 0.00 C ATOM 0 HA PRO A 529 -2.508 10.676 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -4.864 12.424 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.580 11.514 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.353 10.551 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.269 9.426 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.002 10.673 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.719 9.009 0.445 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.356 12.840 -1.879 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.478 13.987 -1.646 1.00 0.00 C ATOM 1492 C TRP A 530 -1.213 15.323 -1.835 1.00 0.00 C ATOM 1493 O TRP A 530 -1.754 15.608 -2.906 1.00 0.00 O ATOM 1494 CB TRP A 530 0.753 13.883 -2.550 1.00 0.00 C ATOM 1495 CG TRP A 530 1.820 14.891 -2.256 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.975 16.081 -2.878 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.885 14.824 -1.258 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.068 16.743 -2.355 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.675 16.008 -1.359 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.280 13.867 -0.296 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.807 16.225 -0.559 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.414 14.076 0.513 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.178 15.250 0.382 1.00 0.00 C ATOM 0 H TRP A 530 -1.179 12.356 -2.759 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.151 13.966 -0.606 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.177 12.884 -2.453 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.438 13.996 -3.587 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.339 16.457 -3.666 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.386 17.661 -2.666 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.703 12.961 -0.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.386 17.130 -0.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.699 13.329 1.239 1.00 0.00 H new ATOM 0 HH2 TRP A 530 6.048 15.401 1.004 1.00 0.00 H new