USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 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= 0.457 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 512 TYR OH : rot 150:sc= 0.075 USER MOD Set 2.2: A 526 GLN : amide:sc= 0.0776 X(o=0.15,f=0.41) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 460 SER OG : rot 67:sc= 1.24 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -79:sc= 0.405 USER MOD Single : A 498 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 504 CYS SG : rot 72:sc= 0.612 USER MOD Single : A 514 CYS SG : rot 180:sc=-0.00762 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 521 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.977) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.292 13.772 -8.331 1.00 0.00 N ATOM 80 CA ARG A 441 -1.271 12.385 -8.824 1.00 0.00 C ATOM 81 C ARG A 441 -0.416 11.455 -7.944 1.00 0.00 C ATOM 82 O ARG A 441 -0.363 10.250 -8.197 1.00 0.00 O ATOM 83 CB ARG A 441 -0.792 12.355 -10.285 1.00 0.00 C ATOM 84 CG ARG A 441 -1.771 13.095 -11.209 1.00 0.00 C ATOM 85 CD ARG A 441 -1.405 13.027 -12.696 1.00 0.00 C ATOM 86 NE ARG A 441 -0.168 13.776 -12.984 1.00 0.00 N ATOM 87 CZ ARG A 441 0.506 13.797 -14.129 1.00 0.00 C ATOM 88 NH1 ARG A 441 0.138 13.103 -15.185 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.586 14.541 -14.228 1.00 0.00 N ATOM 0 HA ARG A 441 -2.291 12.004 -8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.195 12.813 -10.356 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.688 11.321 -10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.768 12.677 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.819 14.141 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.278 11.986 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.223 13.431 -13.292 1.00 0.00 H new ATOM 0 HE ARG A 441 0.211 14.339 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -0.696 12.518 -15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 441 0.687 13.150 -16.043 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.899 15.095 -13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.111 14.564 -15.102 1.00 0.00 H new ATOM 103 N LYS A 442 0.256 11.986 -6.913 1.00 0.00 N ATOM 104 CA LYS A 442 1.032 11.200 -5.947 1.00 0.00 C ATOM 105 C LYS A 442 0.147 10.690 -4.791 1.00 0.00 C ATOM 106 O LYS A 442 -0.697 11.431 -4.284 1.00 0.00 O ATOM 107 CB LYS A 442 2.231 12.037 -5.458 1.00 0.00 C ATOM 108 CG LYS A 442 3.147 11.244 -4.503 1.00 0.00 C ATOM 109 CD LYS A 442 4.499 11.929 -4.251 1.00 0.00 C ATOM 110 CE LYS A 442 4.343 13.223 -3.444 1.00 0.00 C ATOM 111 NZ LYS A 442 5.657 13.849 -3.143 1.00 0.00 N ATOM 0 H LYS A 442 0.275 12.988 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 442 1.420 10.306 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.811 12.374 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.865 12.929 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.635 11.105 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.322 10.252 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.158 11.245 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 442 4.977 12.152 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.725 13.927 -4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 442 3.821 13.009 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.509 14.721 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.238 13.188 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.145 14.077 -4.033 1.00 0.00 H new ATOM 125 N VAL A 443 0.355 9.447 -4.346 1.00 0.00 N ATOM 126 CA VAL A 443 -0.350 8.839 -3.198 1.00 0.00 C ATOM 127 C VAL A 443 0.616 7.988 -2.369 1.00 0.00 C ATOM 128 O VAL A 443 1.189 7.028 -2.876 1.00 0.00 O ATOM 129 CB VAL A 443 -1.556 7.973 -3.650 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.312 7.411 -2.435 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.548 8.748 -4.533 1.00 0.00 C ATOM 0 H VAL A 443 1.031 8.817 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.734 9.655 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.136 7.160 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.153 6.808 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.639 6.792 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.681 8.234 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.370 8.092 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.940 9.600 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -2.038 9.102 -5.429 1.00 0.00 H new ATOM 141 N PHE A 444 0.778 8.321 -1.087 1.00 0.00 N ATOM 142 CA PHE A 444 1.515 7.511 -0.112 1.00 0.00 C ATOM 143 C PHE A 444 0.731 6.238 0.250 1.00 0.00 C ATOM 144 O PHE A 444 -0.484 6.295 0.451 1.00 0.00 O ATOM 145 CB PHE A 444 1.754 8.364 1.143 1.00 0.00 C ATOM 146 CG PHE A 444 2.329 7.616 2.335 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.473 6.987 3.265 1.00 0.00 C ATOM 148 CD2 PHE A 444 3.722 7.545 2.521 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.007 6.301 4.368 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.254 6.867 3.631 1.00 0.00 C ATOM 151 CZ PHE A 444 3.398 6.241 4.554 1.00 0.00 C ATOM 0 H PHE A 444 0.394 9.178 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 444 2.467 7.200 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.430 9.179 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.808 8.817 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.403 7.034 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.385 8.013 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.347 5.819 5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.324 6.827 3.775 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.809 5.716 5.403 1.00 0.00 H new ATOM 161 N VAL A 445 1.436 5.113 0.392 1.00 0.00 N ATOM 162 CA VAL A 445 0.898 3.822 0.857 1.00 0.00 C ATOM 163 C VAL A 445 1.831 3.241 1.915 1.00 0.00 C ATOM 164 O VAL A 445 2.979 2.920 1.609 1.00 0.00 O ATOM 165 CB VAL A 445 0.725 2.819 -0.301 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.158 1.471 0.180 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.202 3.399 -1.372 1.00 0.00 C ATOM 0 H VAL A 445 2.433 5.069 0.180 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.089 4.000 1.283 1.00 0.00 H new ATOM 0 HB VAL A 445 1.716 2.642 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.053 0.796 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.836 1.031 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.818 1.630 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.315 2.680 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.178 3.608 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.226 4.322 -1.762 1.00 0.00 H new ATOM 177 N GLY A 446 1.335 3.110 3.148 1.00 0.00 N ATOM 178 CA GLY A 446 2.087 2.613 4.310 1.00 0.00 C ATOM 179 C GLY A 446 1.557 1.289 4.858 1.00 0.00 C ATOM 180 O GLY A 446 0.348 1.065 4.880 1.00 0.00 O ATOM 0 H GLY A 446 0.371 3.353 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.133 2.488 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 446 2.056 3.363 5.101 1.00 0.00 H new ATOM 184 N GLY A 447 2.463 0.425 5.333 1.00 0.00 N ATOM 185 CA GLY A 447 2.154 -0.911 5.872 1.00 0.00 C ATOM 186 C GLY A 447 2.353 -2.054 4.869 1.00 0.00 C ATOM 187 O GLY A 447 1.814 -3.143 5.072 1.00 0.00 O ATOM 0 H GLY A 447 3.460 0.639 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.783 -1.093 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.120 -0.921 6.217 1.00 0.00 H new ATOM 191 N LEU A 448 3.099 -1.817 3.782 1.00 0.00 N ATOM 192 CA LEU A 448 3.387 -2.805 2.733 1.00 0.00 C ATOM 193 C LEU A 448 4.154 -4.020 3.310 1.00 0.00 C ATOM 194 O LEU A 448 5.032 -3.820 4.159 1.00 0.00 O ATOM 195 CB LEU A 448 4.206 -2.134 1.610 1.00 0.00 C ATOM 196 CG LEU A 448 3.439 -1.087 0.775 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.411 -0.371 -0.170 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.323 -1.726 -0.067 1.00 0.00 C ATOM 0 H LEU A 448 3.530 -0.910 3.603 1.00 0.00 H new ATOM 0 HA LEU A 448 2.445 -3.171 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.077 -1.653 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.577 -2.909 0.940 1.00 0.00 H new ATOM 0 HG LEU A 448 2.985 -0.384 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.868 0.368 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.185 0.128 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.872 -1.099 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.810 -0.952 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.756 -2.455 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.611 -2.224 0.591 1.00 0.00 H new ATOM 210 N PRO A 449 3.860 -5.261 2.858 1.00 0.00 N ATOM 211 CA PRO A 449 4.599 -6.466 3.240 1.00 0.00 C ATOM 212 C PRO A 449 6.122 -6.354 3.027 1.00 0.00 C ATOM 213 O PRO A 449 6.558 -5.616 2.140 1.00 0.00 O ATOM 214 CB PRO A 449 4.022 -7.589 2.376 1.00 0.00 C ATOM 215 CG PRO A 449 2.586 -7.142 2.118 1.00 0.00 C ATOM 216 CD PRO A 449 2.722 -5.626 2.017 1.00 0.00 C ATOM 0 HA PRO A 449 4.482 -6.645 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.579 -7.706 1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 449 4.057 -8.549 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.185 -7.575 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.918 -7.436 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.887 -5.318 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.813 -5.130 2.356 1.00 0.00 H new ATOM 224 N PRO A 450 6.942 -7.114 3.780 1.00 0.00 N ATOM 225 CA PRO A 450 8.402 -7.090 3.677 1.00 0.00 C ATOM 226 C PRO A 450 8.946 -7.866 2.459 1.00 0.00 C ATOM 227 O PRO A 450 10.161 -7.980 2.305 1.00 0.00 O ATOM 228 CB PRO A 450 8.888 -7.691 5.001 1.00 0.00 C ATOM 229 CG PRO A 450 7.810 -8.727 5.313 1.00 0.00 C ATOM 230 CD PRO A 450 6.534 -8.040 4.830 1.00 0.00 C ATOM 0 HA PRO A 450 8.767 -6.076 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.873 -8.148 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.964 -6.937 5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.987 -9.666 4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.767 -8.959 6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.819 -8.770 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 450 6.044 -7.510 5.647 1.00 0.00 H new ATOM 238 N ASP A 451 8.071 -8.403 1.595 1.00 0.00 N ATOM 239 CA ASP A 451 8.422 -9.288 0.473 1.00 0.00 C ATOM 240 C ASP A 451 7.588 -8.986 -0.793 1.00 0.00 C ATOM 241 O ASP A 451 7.403 -9.848 -1.653 1.00 0.00 O ATOM 242 CB ASP A 451 8.303 -10.752 0.941 1.00 0.00 C ATOM 243 CG ASP A 451 9.023 -11.749 0.011 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.222 -11.534 -0.293 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.410 -12.776 -0.365 1.00 0.00 O ATOM 0 H ASP A 451 7.068 -8.228 1.660 1.00 0.00 H new ATOM 0 HA ASP A 451 9.454 -9.104 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.716 -10.840 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.249 -11.021 1.005 1.00 0.00 H new ATOM 250 N ILE A 452 7.061 -7.758 -0.903 1.00 0.00 N ATOM 251 CA ILE A 452 6.307 -7.281 -2.074 1.00 0.00 C ATOM 252 C ILE A 452 7.192 -6.413 -2.984 1.00 0.00 C ATOM 253 O ILE A 452 7.849 -5.474 -2.534 1.00 0.00 O ATOM 254 CB ILE A 452 5.001 -6.582 -1.629 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.012 -6.546 -2.809 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.230 -5.176 -1.043 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.630 -6.003 -2.435 1.00 0.00 C ATOM 0 H ILE A 452 7.148 -7.055 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 452 6.007 -8.136 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 452 4.576 -7.168 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.432 -5.931 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.901 -7.554 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.273 -4.743 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.878 -5.247 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.702 -4.541 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 452 1.987 -6.007 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.189 -6.631 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.728 -4.983 -2.062 1.00 0.00 H new ATOM 269 N ASP A 453 7.233 -6.751 -4.269 1.00 0.00 N ATOM 270 CA ASP A 453 8.058 -6.079 -5.279 1.00 0.00 C ATOM 271 C ASP A 453 7.314 -4.951 -6.018 1.00 0.00 C ATOM 272 O ASP A 453 6.086 -4.855 -5.971 1.00 0.00 O ATOM 273 CB ASP A 453 8.594 -7.127 -6.266 1.00 0.00 C ATOM 274 CG ASP A 453 7.473 -7.878 -6.992 1.00 0.00 C ATOM 275 OD1 ASP A 453 6.937 -7.325 -7.979 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.141 -9.009 -6.565 1.00 0.00 O ATOM 0 H ASP A 453 6.681 -7.519 -4.651 1.00 0.00 H new ATOM 0 HA ASP A 453 8.886 -5.594 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.233 -6.636 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.217 -7.842 -5.729 1.00 0.00 H new ATOM 281 N GLU A 454 8.076 -4.112 -6.728 1.00 0.00 N ATOM 282 CA GLU A 454 7.594 -2.982 -7.533 1.00 0.00 C ATOM 283 C GLU A 454 6.383 -3.327 -8.423 1.00 0.00 C ATOM 284 O GLU A 454 5.410 -2.572 -8.466 1.00 0.00 O ATOM 285 CB GLU A 454 8.753 -2.491 -8.419 1.00 0.00 C ATOM 286 CG GLU A 454 8.414 -1.217 -9.202 1.00 0.00 C ATOM 287 CD GLU A 454 9.601 -0.794 -10.074 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.512 -0.120 -9.542 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.629 -1.126 -11.283 1.00 0.00 O ATOM 0 H GLU A 454 9.091 -4.205 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 454 7.256 -2.211 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.626 -2.305 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.025 -3.280 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.538 -1.389 -9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.159 -0.414 -8.510 1.00 0.00 H new ATOM 296 N ASP A 455 6.420 -4.465 -9.124 1.00 0.00 N ATOM 297 CA ASP A 455 5.386 -4.866 -10.081 1.00 0.00 C ATOM 298 C ASP A 455 4.124 -5.409 -9.391 1.00 0.00 C ATOM 299 O ASP A 455 3.025 -5.213 -9.905 1.00 0.00 O ATOM 300 CB ASP A 455 5.969 -5.886 -11.069 1.00 0.00 C ATOM 301 CG ASP A 455 5.011 -6.177 -12.237 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.796 -5.271 -13.077 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.509 -7.323 -12.334 1.00 0.00 O ATOM 0 H ASP A 455 7.179 -5.141 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 455 5.070 -3.978 -10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 455 6.914 -5.510 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.189 -6.814 -10.542 1.00 0.00 H new ATOM 308 N GLU A 456 4.255 -6.010 -8.205 1.00 0.00 N ATOM 309 CA GLU A 456 3.116 -6.371 -7.351 1.00 0.00 C ATOM 310 C GLU A 456 2.471 -5.140 -6.702 1.00 0.00 C ATOM 311 O GLU A 456 1.242 -5.063 -6.638 1.00 0.00 O ATOM 312 CB GLU A 456 3.536 -7.355 -6.251 1.00 0.00 C ATOM 313 CG GLU A 456 3.765 -8.784 -6.749 1.00 0.00 C ATOM 314 CD GLU A 456 2.468 -9.464 -7.220 1.00 0.00 C ATOM 315 OE1 GLU A 456 1.661 -9.891 -6.361 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.263 -9.610 -8.448 1.00 0.00 O ATOM 0 H GLU A 456 5.159 -6.262 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 456 2.383 -6.846 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.452 -6.993 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.768 -7.369 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.481 -8.768 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.211 -9.376 -5.950 1.00 0.00 H new ATOM 323 N ILE A 457 3.255 -4.143 -6.269 1.00 0.00 N ATOM 324 CA ILE A 457 2.703 -2.863 -5.786 1.00 0.00 C ATOM 325 C ILE A 457 1.983 -2.146 -6.937 1.00 0.00 C ATOM 326 O ILE A 457 0.888 -1.624 -6.737 1.00 0.00 O ATOM 327 CB ILE A 457 3.784 -1.960 -5.141 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.505 -2.647 -3.958 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.139 -0.652 -4.631 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.860 -2.003 -3.636 1.00 0.00 C ATOM 0 H ILE A 457 4.273 -4.195 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 457 1.983 -3.081 -4.997 1.00 0.00 H new ATOM 0 HB ILE A 457 4.524 -1.754 -5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.868 -2.604 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.655 -3.701 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.904 -0.021 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.680 -0.123 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.377 -0.888 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.321 -2.525 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.511 -2.070 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.712 -0.956 -3.373 1.00 0.00 H new ATOM 342 N THR A 458 2.540 -2.192 -8.155 1.00 0.00 N ATOM 343 CA THR A 458 1.899 -1.646 -9.360 1.00 0.00 C ATOM 344 C THR A 458 0.605 -2.386 -9.660 1.00 0.00 C ATOM 345 O THR A 458 -0.429 -1.741 -9.770 1.00 0.00 O ATOM 346 CB THR A 458 2.857 -1.668 -10.561 1.00 0.00 C ATOM 347 OG1 THR A 458 4.045 -0.982 -10.236 1.00 0.00 O ATOM 348 CG2 THR A 458 2.268 -0.968 -11.787 1.00 0.00 C ATOM 0 H THR A 458 3.453 -2.611 -8.333 1.00 0.00 H new ATOM 0 HA THR A 458 1.649 -0.602 -9.169 1.00 0.00 H new ATOM 0 HB THR A 458 3.039 -2.718 -10.792 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.567 -1.515 -9.601 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.983 -1.010 -12.609 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.345 -1.467 -12.083 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.056 0.073 -11.544 1.00 0.00 H new ATOM 356 N ALA A 459 0.613 -3.718 -9.725 1.00 0.00 N ATOM 357 CA ALA A 459 -0.583 -4.520 -9.995 1.00 0.00 C ATOM 358 C ALA A 459 -1.674 -4.365 -8.915 1.00 0.00 C ATOM 359 O ALA A 459 -2.862 -4.444 -9.229 1.00 0.00 O ATOM 360 CB ALA A 459 -0.161 -5.986 -10.157 1.00 0.00 C ATOM 0 H ALA A 459 1.456 -4.276 -9.591 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.038 -4.156 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.040 -6.598 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.540 -6.073 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.318 -6.330 -9.240 1.00 0.00 H new ATOM 366 N SER A 460 -1.294 -4.082 -7.668 1.00 0.00 N ATOM 367 CA SER A 460 -2.233 -3.808 -6.570 1.00 0.00 C ATOM 368 C SER A 460 -3.034 -2.506 -6.754 1.00 0.00 C ATOM 369 O SER A 460 -4.136 -2.395 -6.207 1.00 0.00 O ATOM 370 CB SER A 460 -1.499 -3.767 -5.221 1.00 0.00 C ATOM 371 OG SER A 460 -0.887 -5.011 -4.910 1.00 0.00 O ATOM 0 H SER A 460 -0.315 -4.035 -7.385 1.00 0.00 H new ATOM 0 HA SER A 460 -2.948 -4.631 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.740 -2.985 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 460 -2.204 -3.503 -4.433 1.00 0.00 H new ATOM 0 HG SER A 460 -0.158 -5.184 -5.542 1.00 0.00 H new ATOM 377 N PHE A 461 -2.535 -1.546 -7.552 1.00 0.00 N ATOM 378 CA PHE A 461 -3.193 -0.252 -7.791 1.00 0.00 C ATOM 379 C PHE A 461 -3.463 0.037 -9.284 1.00 0.00 C ATOM 380 O PHE A 461 -4.157 1.002 -9.605 1.00 0.00 O ATOM 381 CB PHE A 461 -2.381 0.847 -7.086 1.00 0.00 C ATOM 382 CG PHE A 461 -2.435 0.777 -5.564 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.508 -0.008 -4.851 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.394 1.518 -4.849 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.545 -0.070 -3.447 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.418 1.477 -3.442 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.503 0.675 -2.738 1.00 0.00 C ATOM 0 H PHE A 461 -1.653 -1.649 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.193 -0.280 -7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.341 0.778 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.750 1.821 -7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.759 -0.570 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.115 2.121 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.838 -0.689 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.144 2.065 -2.900 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.536 0.632 -1.659 1.00 0.00 H new ATOM 397 N ARG A 462 -3.023 -0.835 -10.203 1.00 0.00 N ATOM 398 CA ARG A 462 -3.268 -0.739 -11.655 1.00 0.00 C ATOM 399 C ARG A 462 -4.760 -0.772 -12.026 1.00 0.00 C ATOM 400 O ARG A 462 -5.145 -0.227 -13.065 1.00 0.00 O ATOM 401 CB ARG A 462 -2.470 -1.845 -12.379 1.00 0.00 C ATOM 402 CG ARG A 462 -2.579 -1.843 -13.914 1.00 0.00 C ATOM 403 CD ARG A 462 -2.106 -0.519 -14.529 1.00 0.00 C ATOM 404 NE ARG A 462 -2.351 -0.463 -15.980 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.496 -0.158 -16.584 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.611 0.073 -15.918 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.535 -0.080 -17.896 1.00 0.00 N ATOM 0 H ARG A 462 -2.469 -1.654 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.918 0.238 -11.988 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.419 -1.748 -12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.807 -2.813 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.985 -2.662 -14.319 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.614 -2.026 -14.203 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.620 0.310 -14.043 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.041 -0.390 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.560 -0.681 -16.585 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.617 0.021 -14.899 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.467 0.304 -16.422 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.691 -0.253 -18.442 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.409 0.153 -18.367 1.00 0.00 H new ATOM 421 N ARG A 463 -5.607 -1.323 -11.147 1.00 0.00 N ATOM 422 CA ARG A 463 -7.079 -1.297 -11.217 1.00 0.00 C ATOM 423 C ARG A 463 -7.697 0.117 -11.311 1.00 0.00 C ATOM 424 O ARG A 463 -8.845 0.250 -11.740 1.00 0.00 O ATOM 425 CB ARG A 463 -7.656 -2.070 -10.016 1.00 0.00 C ATOM 426 CG ARG A 463 -7.237 -1.478 -8.656 1.00 0.00 C ATOM 427 CD ARG A 463 -7.841 -2.235 -7.472 1.00 0.00 C ATOM 428 NE ARG A 463 -9.281 -1.957 -7.317 1.00 0.00 N ATOM 429 CZ ARG A 463 -10.052 -2.345 -6.306 1.00 0.00 C ATOM 430 NH1 ARG A 463 -9.585 -3.071 -5.312 1.00 0.00 N ATOM 431 NH2 ARG A 463 -11.321 -2.001 -6.285 1.00 0.00 N ATOM 0 H ARG A 463 -5.270 -1.825 -10.325 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.354 -1.780 -12.155 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.744 -2.074 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.329 -3.108 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -6.150 -1.495 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.544 -0.433 -8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -7.691 -3.306 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.317 -1.956 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 463 -9.728 -1.415 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.605 -3.352 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -10.204 -3.352 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -11.710 -1.439 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -11.917 -2.296 -5.511 1.00 0.00 H new ATOM 445 N PHE A 464 -6.946 1.164 -10.945 1.00 0.00 N ATOM 446 CA PHE A 464 -7.369 2.572 -10.979 1.00 0.00 C ATOM 447 C PHE A 464 -6.875 3.334 -12.225 1.00 0.00 C ATOM 448 O PHE A 464 -7.221 4.502 -12.403 1.00 0.00 O ATOM 449 CB PHE A 464 -6.885 3.236 -9.679 1.00 0.00 C ATOM 450 CG PHE A 464 -7.378 2.538 -8.423 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.759 2.362 -8.218 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.467 1.991 -7.499 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.226 1.642 -7.108 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.933 1.251 -6.398 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.314 1.084 -6.195 1.00 0.00 C ATOM 0 H PHE A 464 -5.991 1.050 -10.604 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.456 2.609 -11.050 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.795 3.252 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.219 4.273 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.464 2.784 -8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.406 2.140 -7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.288 1.516 -6.955 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.229 0.810 -5.707 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.673 0.529 -5.341 1.00 0.00 H new ATOM 465 N GLY A 465 -6.080 2.683 -13.084 1.00 0.00 N ATOM 466 CA GLY A 465 -5.364 3.282 -14.219 1.00 0.00 C ATOM 467 C GLY A 465 -3.844 3.076 -14.114 1.00 0.00 C ATOM 468 O GLY A 465 -3.366 2.600 -13.080 1.00 0.00 O ATOM 0 H GLY A 465 -5.911 1.680 -13.004 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.726 2.843 -15.149 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.583 4.349 -14.264 1.00 0.00 H new ATOM 472 N PRO A 466 -3.076 3.396 -15.173 1.00 0.00 N ATOM 473 CA PRO A 466 -1.627 3.209 -15.209 1.00 0.00 C ATOM 474 C PRO A 466 -0.902 4.150 -14.237 1.00 0.00 C ATOM 475 O PRO A 466 -1.373 5.249 -13.934 1.00 0.00 O ATOM 476 CB PRO A 466 -1.217 3.430 -16.669 1.00 0.00 C ATOM 477 CG PRO A 466 -2.310 4.345 -17.216 1.00 0.00 C ATOM 478 CD PRO A 466 -3.556 3.910 -16.449 1.00 0.00 C ATOM 0 HA PRO A 466 -1.343 2.210 -14.876 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.233 3.893 -16.743 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.169 2.490 -17.218 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.078 5.396 -17.042 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.437 4.220 -18.291 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.237 4.748 -16.302 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.106 3.145 -16.997 1.00 0.00 H new ATOM 486 N LEU A 467 0.257 3.694 -13.747 1.00 0.00 N ATOM 487 CA LEU A 467 1.034 4.322 -12.678 1.00 0.00 C ATOM 488 C LEU A 467 2.504 3.856 -12.665 1.00 0.00 C ATOM 489 O LEU A 467 2.865 2.898 -13.350 1.00 0.00 O ATOM 490 CB LEU A 467 0.354 4.064 -11.304 1.00 0.00 C ATOM 491 CG LEU A 467 0.479 2.636 -10.720 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.230 2.676 -9.207 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.509 1.643 -11.344 1.00 0.00 C ATOM 0 H LEU A 467 0.695 2.843 -14.100 1.00 0.00 H new ATOM 0 HA LEU A 467 1.052 5.395 -12.871 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.772 4.764 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.706 4.300 -11.400 1.00 0.00 H new ATOM 0 HG LEU A 467 1.488 2.294 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.318 1.670 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.966 3.326 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.771 3.060 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.371 0.660 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.529 1.984 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.330 1.578 -12.417 1.00 0.00 H new ATOM 505 N VAL A 468 3.324 4.502 -11.833 1.00 0.00 N ATOM 506 CA VAL A 468 4.685 4.069 -11.464 1.00 0.00 C ATOM 507 C VAL A 468 4.850 4.158 -9.938 1.00 0.00 C ATOM 508 O VAL A 468 4.106 4.888 -9.284 1.00 0.00 O ATOM 509 CB VAL A 468 5.781 4.840 -12.248 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.123 6.226 -11.708 1.00 0.00 C ATOM 511 CG2 VAL A 468 7.063 4.003 -12.361 1.00 0.00 C ATOM 0 H VAL A 468 3.054 5.374 -11.378 1.00 0.00 H new ATOM 0 HA VAL A 468 4.819 3.027 -11.756 1.00 0.00 H new ATOM 0 HB VAL A 468 5.339 5.007 -13.230 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.898 6.677 -12.327 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.232 6.854 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.483 6.138 -10.683 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.816 4.564 -12.914 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.439 3.777 -11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.845 3.073 -12.886 1.00 0.00 H new ATOM 521 N VAL A 469 5.794 3.405 -9.365 1.00 0.00 N ATOM 522 CA VAL A 469 5.979 3.255 -7.907 1.00 0.00 C ATOM 523 C VAL A 469 7.419 3.607 -7.513 1.00 0.00 C ATOM 524 O VAL A 469 8.373 3.184 -8.166 1.00 0.00 O ATOM 525 CB VAL A 469 5.619 1.819 -7.449 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.742 1.654 -5.925 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.184 1.440 -7.859 1.00 0.00 C ATOM 0 H VAL A 469 6.469 2.868 -9.909 1.00 0.00 H new ATOM 0 HA VAL A 469 5.304 3.947 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 469 6.332 1.159 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.481 0.633 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.767 1.863 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.066 2.350 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.965 0.427 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.479 2.135 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.090 1.490 -8.944 1.00 0.00 H new ATOM 537 N ASP A 470 7.569 4.374 -6.432 1.00 0.00 N ATOM 538 CA ASP A 470 8.831 4.943 -5.938 1.00 0.00 C ATOM 539 C ASP A 470 8.886 4.956 -4.396 1.00 0.00 C ATOM 540 O ASP A 470 7.858 4.858 -3.728 1.00 0.00 O ATOM 541 CB ASP A 470 8.970 6.360 -6.523 1.00 0.00 C ATOM 542 CG ASP A 470 10.312 7.024 -6.181 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.365 6.443 -6.526 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.303 8.124 -5.578 1.00 0.00 O ATOM 0 H ASP A 470 6.775 4.630 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 470 9.668 4.324 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 470 8.861 6.312 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.157 6.983 -6.148 1.00 0.00 H new ATOM 786 N GLY A 485 8.833 -0.375 4.383 1.00 0.00 N ATOM 787 CA GLY A 485 7.427 -0.752 4.630 1.00 0.00 C ATOM 788 C GLY A 485 6.400 0.226 4.049 1.00 0.00 C ATOM 789 O GLY A 485 5.223 0.153 4.398 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.249 -1.741 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.268 -0.831 5.705 1.00 0.00 H new ATOM 793 N TYR A 486 6.816 1.134 3.162 1.00 0.00 N ATOM 794 CA TYR A 486 5.954 2.136 2.522 1.00 0.00 C ATOM 795 C TYR A 486 6.490 2.589 1.154 1.00 0.00 C ATOM 796 O TYR A 486 7.685 2.467 0.873 1.00 0.00 O ATOM 797 CB TYR A 486 5.727 3.332 3.466 1.00 0.00 C ATOM 798 CG TYR A 486 6.933 4.211 3.751 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.312 5.217 2.837 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.632 4.075 4.965 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.381 6.081 3.136 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.698 4.941 5.275 1.00 0.00 C ATOM 803 CZ TYR A 486 9.077 5.949 4.359 1.00 0.00 C ATOM 804 OH TYR A 486 10.096 6.802 4.657 1.00 0.00 O ATOM 0 H TYR A 486 7.788 1.196 2.860 1.00 0.00 H new ATOM 0 HA TYR A 486 4.992 1.662 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.942 3.958 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.351 2.950 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.779 5.324 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.349 3.301 5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.670 6.846 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.226 4.835 6.211 1.00 0.00 H new ATOM 0 HH TYR A 486 10.467 6.575 5.535 1.00 0.00 H new ATOM 814 N ALA A 487 5.607 3.137 0.314 1.00 0.00 N ATOM 815 CA ALA A 487 5.927 3.634 -1.024 1.00 0.00 C ATOM 816 C ALA A 487 4.993 4.780 -1.441 1.00 0.00 C ATOM 817 O ALA A 487 3.952 5.020 -0.822 1.00 0.00 O ATOM 818 CB ALA A 487 5.864 2.457 -2.014 1.00 0.00 C ATOM 0 H ALA A 487 4.622 3.249 0.555 1.00 0.00 H new ATOM 0 HA ALA A 487 6.934 4.050 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.100 2.812 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.585 1.695 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.861 2.029 -2.008 1.00 0.00 H new ATOM 824 N PHE A 488 5.371 5.461 -2.521 1.00 0.00 N ATOM 825 CA PHE A 488 4.609 6.505 -3.193 1.00 0.00 C ATOM 826 C PHE A 488 4.220 6.027 -4.596 1.00 0.00 C ATOM 827 O PHE A 488 5.075 5.767 -5.446 1.00 0.00 O ATOM 828 CB PHE A 488 5.445 7.791 -3.264 1.00 0.00 C ATOM 829 CG PHE A 488 5.713 8.443 -1.921 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.777 9.342 -1.374 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.907 8.169 -1.227 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.046 9.982 -0.152 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.168 8.798 0.005 1.00 0.00 C ATOM 834 CZ PHE A 488 6.241 9.710 0.538 1.00 0.00 C ATOM 0 H PHE A 488 6.268 5.287 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 488 3.699 6.719 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.399 7.563 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.932 8.508 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.851 9.540 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.624 7.475 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.334 10.683 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.080 8.580 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.446 10.202 1.477 1.00 0.00 H new ATOM 844 N LEU A 489 2.914 5.935 -4.832 1.00 0.00 N ATOM 845 CA LEU A 489 2.313 5.715 -6.144 1.00 0.00 C ATOM 846 C LEU A 489 2.247 7.050 -6.885 1.00 0.00 C ATOM 847 O LEU A 489 1.870 8.062 -6.287 1.00 0.00 O ATOM 848 CB LEU A 489 0.881 5.169 -5.987 1.00 0.00 C ATOM 849 CG LEU A 489 0.689 3.987 -5.020 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.803 3.657 -4.977 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.498 2.746 -5.414 1.00 0.00 C ATOM 0 H LEU A 489 2.221 6.014 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 489 2.916 4.995 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.241 5.986 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.524 4.864 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 489 1.060 4.282 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.971 2.821 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.358 4.527 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.145 3.388 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.318 1.950 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.193 2.412 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.560 2.992 -5.425 1.00 0.00 H new ATOM 863 N LEU A 490 2.551 7.033 -8.180 1.00 0.00 N ATOM 864 CA LEU A 490 2.400 8.150 -9.111 1.00 0.00 C ATOM 865 C LEU A 490 1.494 7.688 -10.256 1.00 0.00 C ATOM 866 O LEU A 490 1.933 6.913 -11.111 1.00 0.00 O ATOM 867 CB LEU A 490 3.779 8.560 -9.666 1.00 0.00 C ATOM 868 CG LEU A 490 4.906 8.863 -8.664 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.187 9.140 -9.465 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.562 10.051 -7.762 1.00 0.00 C ATOM 0 H LEU A 490 2.928 6.200 -8.632 1.00 0.00 H new ATOM 0 HA LEU A 490 1.963 9.011 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.124 7.762 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.638 9.445 -10.286 1.00 0.00 H new ATOM 0 HG LEU A 490 5.045 8.006 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 490 7.005 9.359 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.439 8.264 -10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 490 6.027 9.994 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.384 10.232 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.402 10.938 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.655 9.830 -7.199 1.00 0.00 H new ATOM 882 N PHE A 491 0.235 8.125 -10.265 1.00 0.00 N ATOM 883 CA PHE A 491 -0.738 7.774 -11.304 1.00 0.00 C ATOM 884 C PHE A 491 -0.575 8.650 -12.557 1.00 0.00 C ATOM 885 O PHE A 491 -0.050 9.763 -12.491 1.00 0.00 O ATOM 886 CB PHE A 491 -2.158 7.867 -10.728 1.00 0.00 C ATOM 887 CG PHE A 491 -2.476 6.814 -9.680 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.939 5.542 -10.074 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.312 7.098 -8.310 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.222 4.562 -9.108 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.616 6.122 -7.343 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.070 4.853 -7.742 1.00 0.00 C ATOM 0 H PHE A 491 -0.144 8.739 -9.544 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.555 6.747 -11.621 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.295 8.855 -10.288 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.875 7.779 -11.544 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.077 5.320 -11.122 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.952 8.068 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.557 3.583 -9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.500 6.348 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.302 4.103 -7.000 1.00 0.00 H new ATOM 902 N GLN A 492 -1.048 8.165 -13.709 1.00 0.00 N ATOM 903 CA GLN A 492 -1.013 8.921 -14.966 1.00 0.00 C ATOM 904 C GLN A 492 -2.044 10.066 -14.994 1.00 0.00 C ATOM 905 O GLN A 492 -1.805 11.084 -15.642 1.00 0.00 O ATOM 906 CB GLN A 492 -1.222 7.943 -16.133 1.00 0.00 C ATOM 907 CG GLN A 492 -0.949 8.575 -17.508 1.00 0.00 C ATOM 908 CD GLN A 492 -1.059 7.553 -18.641 1.00 0.00 C ATOM 909 OE1 GLN A 492 -2.105 7.367 -19.252 1.00 0.00 O ATOM 910 NE2 GLN A 492 0.005 6.842 -18.964 1.00 0.00 N ATOM 0 H GLN A 492 -1.466 7.239 -13.797 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.039 9.401 -15.059 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.567 7.082 -15.999 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.246 7.571 -16.108 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.657 9.386 -17.681 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.048 9.016 -17.513 1.00 0.00 H new ATOM 0 HE21 GLN A 492 0.884 6.984 -18.466 1.00 0.00 H new ATOM 0 HE22 GLN A 492 -0.051 6.151 -19.712 1.00 0.00 H new ATOM 919 N GLU A 493 -3.154 9.945 -14.259 1.00 0.00 N ATOM 920 CA GLU A 493 -4.253 10.920 -14.231 1.00 0.00 C ATOM 921 C GLU A 493 -4.768 11.117 -12.799 1.00 0.00 C ATOM 922 O GLU A 493 -4.820 10.174 -12.008 1.00 0.00 O ATOM 923 CB GLU A 493 -5.406 10.460 -15.142 1.00 0.00 C ATOM 924 CG GLU A 493 -5.017 10.392 -16.626 1.00 0.00 C ATOM 925 CD GLU A 493 -6.246 10.116 -17.506 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.602 8.929 -17.705 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.861 11.083 -18.013 1.00 0.00 O ATOM 0 H GLU A 493 -3.319 9.144 -13.649 1.00 0.00 H new ATOM 0 HA GLU A 493 -3.869 11.871 -14.599 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.746 9.477 -14.817 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.247 11.143 -15.025 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.553 11.331 -16.927 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.275 9.608 -16.775 1.00 0.00 H new ATOM 934 N GLU A 494 -5.183 12.344 -12.467 1.00 0.00 N ATOM 935 CA GLU A 494 -5.715 12.684 -11.137 1.00 0.00 C ATOM 936 C GLU A 494 -7.007 11.903 -10.828 1.00 0.00 C ATOM 937 O GLU A 494 -7.230 11.481 -9.693 1.00 0.00 O ATOM 938 CB GLU A 494 -5.953 14.201 -11.043 1.00 0.00 C ATOM 939 CG GLU A 494 -4.648 15.006 -11.073 1.00 0.00 C ATOM 940 CD GLU A 494 -4.908 16.518 -11.052 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.284 17.086 -12.105 1.00 0.00 O ATOM 942 OE2 GLU A 494 -4.724 17.147 -9.984 1.00 0.00 O ATOM 0 H GLU A 494 -5.161 13.133 -13.113 1.00 0.00 H new ATOM 0 HA GLU A 494 -4.978 12.394 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.589 14.517 -11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.492 14.424 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.032 14.732 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.082 14.747 -11.968 1.00 0.00 H new ATOM 949 N SER A 495 -7.815 11.599 -11.847 1.00 0.00 N ATOM 950 CA SER A 495 -9.017 10.759 -11.739 1.00 0.00 C ATOM 951 C SER A 495 -8.732 9.360 -11.165 1.00 0.00 C ATOM 952 O SER A 495 -9.588 8.783 -10.494 1.00 0.00 O ATOM 953 CB SER A 495 -9.676 10.614 -13.119 1.00 0.00 C ATOM 954 OG SER A 495 -9.909 11.885 -13.718 1.00 0.00 O ATOM 0 H SER A 495 -7.650 11.937 -12.795 1.00 0.00 H new ATOM 0 HA SER A 495 -9.686 11.263 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.037 10.015 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.620 10.078 -13.019 1.00 0.00 H new ATOM 0 HG SER A 495 -10.327 11.761 -14.596 1.00 0.00 H new ATOM 960 N SER A 496 -7.516 8.826 -11.333 1.00 0.00 N ATOM 961 CA SER A 496 -7.106 7.552 -10.729 1.00 0.00 C ATOM 962 C SER A 496 -6.971 7.648 -9.201 1.00 0.00 C ATOM 963 O SER A 496 -7.163 6.652 -8.502 1.00 0.00 O ATOM 964 CB SER A 496 -5.764 7.095 -11.314 1.00 0.00 C ATOM 965 OG SER A 496 -5.785 7.021 -12.734 1.00 0.00 O ATOM 0 H SER A 496 -6.786 9.267 -11.893 1.00 0.00 H new ATOM 0 HA SER A 496 -7.888 6.829 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 496 -4.981 7.786 -11.001 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.508 6.117 -10.906 1.00 0.00 H new ATOM 0 HG SER A 496 -6.231 6.194 -13.012 1.00 0.00 H new ATOM 971 N VAL A 497 -6.703 8.844 -8.663 1.00 0.00 N ATOM 972 CA VAL A 497 -6.613 9.072 -7.212 1.00 0.00 C ATOM 973 C VAL A 497 -8.019 9.122 -6.601 1.00 0.00 C ATOM 974 O VAL A 497 -8.241 8.537 -5.545 1.00 0.00 O ATOM 975 CB VAL A 497 -5.789 10.336 -6.870 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.680 10.544 -5.351 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.373 10.229 -7.465 1.00 0.00 C ATOM 0 H VAL A 497 -6.542 9.683 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.076 8.233 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.310 11.190 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.095 11.441 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.678 10.658 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.190 9.681 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.805 11.125 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.870 9.355 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.440 10.131 -8.549 1.00 0.00 H new ATOM 987 N GLN A 498 -8.997 9.721 -7.291 1.00 0.00 N ATOM 988 CA GLN A 498 -10.407 9.645 -6.890 1.00 0.00 C ATOM 989 C GLN A 498 -10.949 8.215 -7.012 1.00 0.00 C ATOM 990 O GLN A 498 -11.681 7.774 -6.131 1.00 0.00 O ATOM 991 CB GLN A 498 -11.231 10.620 -7.750 1.00 0.00 C ATOM 992 CG GLN A 498 -12.754 10.607 -7.499 1.00 0.00 C ATOM 993 CD GLN A 498 -13.174 10.926 -6.061 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.474 12.057 -5.706 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.233 9.952 -5.177 1.00 0.00 N ATOM 0 H GLN A 498 -8.835 10.268 -8.137 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.490 9.929 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.861 11.631 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.052 10.390 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.224 11.328 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.143 9.624 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -12.988 9.000 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.524 10.149 -4.220 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.572 7.475 -8.058 1.00 0.00 N ATOM 1005 CA ALA A 499 -10.941 6.062 -8.201 1.00 0.00 C ATOM 1006 C ALA A 499 -10.418 5.196 -7.040 1.00 0.00 C ATOM 1007 O ALA A 499 -11.142 4.325 -6.551 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.439 5.535 -9.549 1.00 0.00 C ATOM 0 H ALA A 499 -10.006 7.835 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.028 5.995 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.713 4.485 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -10.891 6.111 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.354 5.633 -9.597 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.196 5.468 -6.559 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.646 4.848 -5.354 1.00 0.00 C ATOM 1016 C LEU A 500 -9.439 5.262 -4.104 1.00 0.00 C ATOM 1017 O LEU A 500 -9.861 4.395 -3.341 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.141 5.169 -5.266 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.444 4.772 -3.946 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.626 3.298 -3.565 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.943 5.056 -4.077 1.00 0.00 C ATOM 0 H LEU A 500 -8.560 6.131 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.748 3.764 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.633 4.666 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.008 6.240 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.910 5.364 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.108 3.098 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.688 3.081 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.212 2.665 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.438 4.780 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.533 4.473 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.789 6.117 -4.272 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.706 6.558 -3.915 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.518 7.080 -2.793 1.00 0.00 C ATOM 1035 C ILE A 501 -11.906 6.414 -2.742 1.00 0.00 C ATOM 1036 O ILE A 501 -12.376 6.053 -1.664 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.617 8.626 -2.879 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.246 9.286 -2.605 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.663 9.183 -1.891 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.134 10.742 -3.075 1.00 0.00 C ATOM 0 H ILE A 501 -9.364 7.288 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.019 6.827 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.934 8.868 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.046 9.247 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.470 8.699 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.705 10.269 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.642 8.762 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.382 8.912 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.140 11.124 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.299 10.791 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.884 11.347 -2.566 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.536 6.191 -3.897 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.851 5.551 -4.026 1.00 0.00 C ATOM 1054 C ASP A 502 -13.841 4.040 -3.699 1.00 0.00 C ATOM 1055 O ASP A 502 -14.892 3.469 -3.403 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.381 5.815 -5.446 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.834 5.349 -5.638 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.743 5.949 -5.017 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.067 4.412 -6.440 1.00 0.00 O ATOM 0 H ASP A 502 -12.135 6.458 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.516 5.992 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.315 6.882 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.743 5.305 -6.167 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.663 3.402 -3.699 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.465 2.004 -3.305 1.00 0.00 C ATOM 1066 C ALA A 503 -11.922 1.847 -1.870 1.00 0.00 C ATOM 1067 O ALA A 503 -11.960 0.743 -1.319 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.530 1.355 -4.331 1.00 0.00 C ATOM 0 H ALA A 503 -11.797 3.860 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.433 1.503 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.364 0.312 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.983 1.408 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.577 1.883 -4.340 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.435 2.928 -1.252 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.873 2.912 0.097 1.00 0.00 C ATOM 1076 C CYS A 504 -11.936 2.797 1.203 1.00 0.00 C ATOM 1077 O CYS A 504 -13.039 3.346 1.114 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.043 4.186 0.326 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.448 4.091 -0.531 1.00 0.00 S ATOM 0 H CYS A 504 -11.421 3.852 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.249 2.021 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.599 5.054 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.877 4.328 1.394 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.636 4.207 -1.812 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.551 2.109 2.277 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.224 2.107 3.575 1.00 0.00 C ATOM 1087 C LEU A 505 -11.788 3.373 4.332 1.00 0.00 C ATOM 1088 O LEU A 505 -10.890 4.093 3.888 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.831 0.832 4.354 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.250 -0.488 3.682 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.634 -1.671 4.443 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.776 -0.649 3.615 1.00 0.00 C ATOM 0 H LEU A 505 -10.725 1.511 2.265 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.308 2.108 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.750 0.826 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.279 0.877 5.347 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.881 -0.468 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -11.931 -2.605 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.547 -1.586 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -11.985 -1.662 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.021 -1.595 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.188 -0.639 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.204 0.173 3.040 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.383 3.630 5.493 1.00 0.00 N ATOM 1105 CA GLU A 506 -12.096 4.819 6.304 1.00 0.00 C ATOM 1106 C GLU A 506 -12.091 4.478 7.800 1.00 0.00 C ATOM 1107 O GLU A 506 -13.022 3.843 8.304 1.00 0.00 O ATOM 1108 CB GLU A 506 -13.105 5.932 5.970 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.716 7.283 6.583 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.782 8.347 6.281 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.757 8.467 7.062 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.655 9.071 5.266 1.00 0.00 O ATOM 0 H GLU A 506 -13.085 3.016 5.905 1.00 0.00 H new ATOM 0 HA GLU A 506 -11.097 5.183 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -13.180 6.036 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -14.092 5.643 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.597 7.177 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.753 7.604 6.186 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.725 6.978 5.199 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.192 6.004 4.209 1.00 0.00 C ATOM 1177 C LEU A 511 -7.321 4.744 4.202 1.00 0.00 C ATOM 1178 O LEU A 511 -6.128 4.795 4.504 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.224 6.662 2.815 1.00 0.00 C ATOM 1180 CG LEU A 511 -9.227 7.822 2.650 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -9.110 8.380 1.226 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.679 7.391 2.915 1.00 0.00 C ATOM 0 HA LEU A 511 -9.200 5.691 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.225 7.033 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.457 5.895 2.076 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.979 8.584 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.815 9.201 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -8.096 8.743 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.336 7.593 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.342 8.246 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.959 6.605 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.767 7.016 3.935 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.919 3.607 3.840 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.264 2.293 3.851 1.00 0.00 C ATOM 1196 C TYR A 512 -7.677 1.403 2.663 1.00 0.00 C ATOM 1197 O TYR A 512 -8.842 1.378 2.268 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.531 1.579 5.190 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.770 2.153 6.375 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.272 3.264 7.086 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.541 1.581 6.757 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.533 3.824 8.148 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.805 2.123 7.828 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.298 3.250 8.522 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.575 3.779 9.549 1.00 0.00 O ATOM 0 H TYR A 512 -8.889 3.571 3.525 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.194 2.469 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.599 1.624 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.271 0.526 5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.228 3.688 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.161 0.721 6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.910 4.689 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.865 1.678 8.118 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.057 3.070 9.984 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.725 0.633 2.128 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.940 -0.424 1.126 1.00 0.00 C ATOM 1217 C LEU A 513 -6.301 -1.733 1.635 1.00 0.00 C ATOM 1218 O LEU A 513 -5.729 -1.736 2.725 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.362 0.046 -0.230 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.118 -0.511 -1.454 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.417 0.282 -1.686 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.254 -0.439 -2.716 1.00 0.00 C ATOM 0 H LEU A 513 -5.744 0.730 2.389 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.001 -0.621 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.383 1.135 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.316 -0.255 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.356 -1.555 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.940 -0.122 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.055 0.200 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.177 1.330 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.813 -0.838 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.986 0.599 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.347 -1.026 -2.570 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.363 -2.832 0.876 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.861 -4.154 1.288 1.00 0.00 C ATOM 1236 C CYS A 514 -4.916 -4.772 0.236 1.00 0.00 C ATOM 1237 O CYS A 514 -5.161 -4.636 -0.965 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.059 -5.075 1.583 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.055 -4.425 2.960 1.00 0.00 S ATOM 0 H CYS A 514 -6.770 -2.831 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.265 -4.035 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.680 -5.167 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.702 -6.075 1.828 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.058 -5.221 3.184 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.859 -5.460 0.686 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.774 -6.037 -0.145 1.00 0.00 C ATOM 1247 C VAL A 515 -2.195 -7.320 0.482 1.00 0.00 C ATOM 1248 O VAL A 515 -2.540 -7.682 1.606 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.634 -5.018 -0.417 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.082 -3.816 -1.264 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.992 -4.508 0.882 1.00 0.00 C ATOM 0 H VAL A 515 -3.723 -5.642 1.680 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.231 -6.293 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 515 -0.893 -5.576 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.238 -3.144 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.446 -4.167 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.881 -3.284 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.200 -3.798 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.749 -4.015 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.571 -5.348 1.434 1.00 0.00 H new ATOM 1261 N SER A 516 -1.309 -8.014 -0.236 1.00 0.00 N ATOM 1262 CA SER A 516 -0.753 -9.326 0.142 1.00 0.00 C ATOM 1263 C SER A 516 0.563 -9.657 -0.597 1.00 0.00 C ATOM 1264 O SER A 516 0.986 -8.949 -1.514 1.00 0.00 O ATOM 1265 CB SER A 516 -1.808 -10.427 -0.097 1.00 0.00 C ATOM 1266 OG SER A 516 -2.216 -10.499 -1.459 1.00 0.00 O ATOM 0 H SER A 516 -0.944 -7.672 -1.125 1.00 0.00 H new ATOM 0 HA SER A 516 -0.504 -9.281 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.400 -11.390 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 516 -2.678 -10.235 0.531 1.00 0.00 H new ATOM 0 HG SER A 516 -2.882 -11.210 -1.564 1.00 0.00 H new ATOM 1272 N SER A 517 1.232 -10.738 -0.194 1.00 0.00 N ATOM 1273 CA SER A 517 2.536 -11.198 -0.694 1.00 0.00 C ATOM 1274 C SER A 517 2.673 -12.734 -0.526 1.00 0.00 C ATOM 1275 O SER A 517 1.728 -13.384 -0.054 1.00 0.00 O ATOM 1276 CB SER A 517 3.643 -10.449 0.073 1.00 0.00 C ATOM 1277 OG SER A 517 3.823 -11.015 1.364 1.00 0.00 O ATOM 0 H SER A 517 0.861 -11.353 0.530 1.00 0.00 H new ATOM 0 HA SER A 517 2.626 -10.983 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.578 -10.498 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.381 -9.395 0.165 1.00 0.00 H new ATOM 0 HG SER A 517 4.530 -10.530 1.838 1.00 0.00 H new ATOM 1283 N PRO A 518 3.830 -13.351 -0.853 1.00 0.00 N ATOM 1284 CA PRO A 518 4.107 -14.753 -0.531 1.00 0.00 C ATOM 1285 C PRO A 518 4.172 -15.058 0.977 1.00 0.00 C ATOM 1286 O PRO A 518 4.124 -16.232 1.347 1.00 0.00 O ATOM 1287 CB PRO A 518 5.445 -15.083 -1.209 1.00 0.00 C ATOM 1288 CG PRO A 518 5.557 -14.040 -2.318 1.00 0.00 C ATOM 1289 CD PRO A 518 4.911 -12.820 -1.671 1.00 0.00 C ATOM 0 HA PRO A 518 3.285 -15.371 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.277 -15.013 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.451 -16.096 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.593 -13.852 -2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.033 -14.348 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.630 -12.269 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.532 -12.129 -2.424 1.00 0.00 H new ATOM 1297 N THR A 519 4.269 -14.033 1.841 1.00 0.00 N ATOM 1298 CA THR A 519 4.471 -14.166 3.296 1.00 0.00 C ATOM 1299 C THR A 519 3.382 -13.504 4.141 1.00 0.00 C ATOM 1300 O THR A 519 3.238 -13.857 5.312 1.00 0.00 O ATOM 1301 CB THR A 519 5.839 -13.597 3.699 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.935 -12.251 3.279 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.998 -14.380 3.076 1.00 0.00 C ATOM 0 H THR A 519 4.207 -13.061 1.539 1.00 0.00 H new ATOM 0 HA THR A 519 4.421 -15.235 3.501 1.00 0.00 H new ATOM 0 HB THR A 519 5.913 -13.676 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.808 -11.889 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.945 -13.940 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.954 -15.418 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.922 -14.340 1.989 1.00 0.00 H new ATOM 1311 N ILE A 520 2.593 -12.590 3.571 1.00 0.00 N ATOM 1312 CA ILE A 520 1.584 -11.770 4.267 1.00 0.00 C ATOM 1313 C ILE A 520 0.264 -11.782 3.495 1.00 0.00 C ATOM 1314 O ILE A 520 0.242 -11.605 2.278 1.00 0.00 O ATOM 1315 CB ILE A 520 2.122 -10.326 4.424 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.390 -10.210 5.302 1.00 0.00 C ATOM 1317 CG2 ILE A 520 1.041 -9.368 4.946 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.223 -10.600 6.775 1.00 0.00 C ATOM 0 H ILE A 520 2.637 -12.389 2.572 1.00 0.00 H new ATOM 0 HA ILE A 520 1.394 -12.186 5.256 1.00 0.00 H new ATOM 0 HB ILE A 520 2.412 -10.034 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 520 4.168 -10.836 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.747 -9.181 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.459 -8.366 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.205 -9.347 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.691 -9.710 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.174 -10.480 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.474 -9.958 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 520 2.902 -11.640 6.842 1.00 0.00 H new ATOM 1330 N LYS A 521 -0.850 -11.959 4.207 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.186 -12.169 3.636 1.00 0.00 C ATOM 1332 C LYS A 521 -3.221 -11.196 4.236 1.00 0.00 C ATOM 1333 O LYS A 521 -3.242 -10.983 5.451 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.597 -13.635 3.890 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.636 -14.716 3.359 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.408 -14.674 1.841 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.428 -15.786 1.441 1.00 0.00 C ATOM 1338 NZ LYS A 521 -0.004 -15.657 0.024 1.00 0.00 N ATOM 0 H LYS A 521 -0.850 -11.961 5.227 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.155 -11.969 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.711 -13.777 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.577 -13.798 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.675 -14.608 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.028 -15.697 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.355 -14.803 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -1.011 -13.702 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.448 -15.750 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.897 -16.758 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.488 -16.524 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.840 -15.512 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.637 -14.844 -0.074 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.074 -10.614 3.381 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.233 -9.758 3.768 1.00 0.00 C ATOM 1354 C ASP A 522 -4.834 -8.511 4.599 1.00 0.00 C ATOM 1355 O ASP A 522 -5.603 -8.016 5.424 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.293 -10.644 4.459 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.674 -9.972 4.586 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.183 -9.440 3.570 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.273 -10.031 5.687 1.00 0.00 O ATOM 0 H ASP A 522 -3.985 -10.721 2.371 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.667 -9.330 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.400 -11.572 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -5.937 -10.913 5.453 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.615 -7.995 4.404 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.072 -6.869 5.173 1.00 0.00 C ATOM 1366 C LYS A 523 -3.725 -5.534 4.751 1.00 0.00 C ATOM 1367 O LYS A 523 -3.726 -5.235 3.546 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.544 -6.829 4.971 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.816 -5.790 5.844 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.671 -6.151 7.332 1.00 0.00 C ATOM 1371 CE LYS A 523 0.341 -7.275 7.583 1.00 0.00 C ATOM 1372 NZ LYS A 523 0.555 -7.506 9.038 1.00 0.00 N ATOM 0 H LYS A 523 -2.970 -8.352 3.699 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.298 -7.009 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.135 -7.816 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.333 -6.617 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.179 -5.629 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.350 -4.843 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -0.365 -5.264 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 523 -1.643 -6.452 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 523 -0.013 -8.194 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.290 -7.023 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 1.245 -8.273 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 0.916 -6.636 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.346 -7.771 9.484 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.231 -4.711 5.694 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.694 -3.362 5.411 1.00 0.00 C ATOM 1388 C PRO A 524 -3.495 -2.409 5.328 1.00 0.00 C ATOM 1389 O PRO A 524 -2.530 -2.539 6.081 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.637 -3.001 6.559 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.056 -3.770 7.747 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.371 -4.988 7.119 1.00 0.00 C ATOM 0 HA PRO A 524 -5.212 -3.287 4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.653 -1.927 6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.663 -3.303 6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.346 -3.160 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.837 -4.070 8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.397 -5.161 7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.963 -5.889 7.280 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.572 -1.440 4.419 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.526 -0.440 4.151 1.00 0.00 C ATOM 1402 C VAL A 525 -3.110 0.967 4.163 1.00 0.00 C ATOM 1403 O VAL A 525 -4.186 1.206 3.619 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.774 -0.697 2.826 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.720 -1.789 3.043 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.682 -1.066 1.635 1.00 0.00 C ATOM 0 H VAL A 525 -4.392 -1.320 3.824 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.795 -0.534 4.954 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.307 0.249 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.188 -1.972 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.012 -1.465 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.209 -2.707 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.070 -1.229 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.234 -1.977 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.384 -0.254 1.448 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.396 1.880 4.820 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.794 3.265 5.054 1.00 0.00 C ATOM 1418 C GLN A 526 -2.543 4.091 3.790 1.00 0.00 C ATOM 1419 O GLN A 526 -1.404 4.202 3.338 1.00 0.00 O ATOM 1420 CB GLN A 526 -1.990 3.792 6.254 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.477 5.164 6.743 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.700 5.639 7.973 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.002 6.646 7.958 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.817 4.972 9.103 1.00 0.00 N ATOM 0 H GLN A 526 -1.484 1.663 5.221 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.857 3.338 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.057 3.075 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -0.938 3.863 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -2.370 5.894 5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.539 5.108 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.392 4.131 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.332 5.297 9.940 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.599 4.672 3.221 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.567 5.412 1.953 1.00 0.00 C ATOM 1435 C ILE A 527 -3.665 6.909 2.262 1.00 0.00 C ATOM 1436 O ILE A 527 -4.608 7.348 2.925 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.731 4.955 1.035 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.855 3.423 0.885 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.623 5.591 -0.360 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.615 2.705 0.338 1.00 0.00 C ATOM 0 H ILE A 527 -4.529 4.642 3.639 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.635 5.213 1.425 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.634 5.301 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.097 3.000 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.697 3.208 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.453 5.251 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.659 6.677 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.681 5.297 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.813 1.635 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.379 3.090 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.770 2.879 1.005 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.704 7.698 1.776 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.631 9.148 2.003 1.00 0.00 C ATOM 1454 C ARG A 528 -2.353 9.884 0.680 1.00 0.00 C ATOM 1455 O ARG A 528 -1.186 10.039 0.306 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.580 9.465 3.085 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.013 9.030 4.495 1.00 0.00 C ATOM 1458 CD ARG A 528 -1.048 9.547 5.569 1.00 0.00 C ATOM 1459 NE ARG A 528 -1.160 11.010 5.721 1.00 0.00 N ATOM 1460 CZ ARG A 528 -0.299 11.821 6.324 1.00 0.00 C ATOM 1461 NH1 ARG A 528 0.800 11.400 6.910 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -0.517 13.112 6.357 1.00 0.00 N ATOM 0 H ARG A 528 -1.939 7.343 1.202 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.592 9.506 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.644 8.968 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.382 10.537 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -3.017 9.402 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.061 7.942 4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -1.264 9.061 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.025 9.283 5.301 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.990 11.446 5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 528 1.026 10.405 6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 528 1.427 12.068 7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -1.352 13.500 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 528 0.148 13.730 6.822 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.405 10.320 -0.044 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.275 11.145 -1.242 1.00 0.00 C ATOM 1478 C PRO A 529 -2.542 12.455 -0.946 1.00 0.00 C ATOM 1479 O PRO A 529 -2.777 13.084 0.085 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.707 11.404 -1.726 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.485 10.207 -1.182 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.806 9.973 0.165 1.00 0.00 C ATOM 0 HA PRO A 529 -2.681 10.642 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.097 12.346 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.760 11.458 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.547 10.427 -1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.406 9.338 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.253 10.592 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.911 8.936 0.483 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.680 12.888 -1.870 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.877 14.112 -1.732 1.00 0.00 C ATOM 1492 C TRP A 530 -1.672 15.394 -2.085 1.00 0.00 C ATOM 1493 O TRP A 530 -1.105 16.443 -2.389 1.00 0.00 O ATOM 1494 CB TRP A 530 0.422 13.931 -2.533 1.00 0.00 C ATOM 1495 CG TRP A 530 1.565 14.806 -2.118 1.00 0.00 C ATOM 1496 CD1 TRP A 530 1.936 15.969 -2.700 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.506 14.598 -1.017 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.031 16.494 -2.041 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.429 15.686 -0.998 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.683 13.588 -0.046 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.476 15.767 -0.068 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.730 13.658 0.892 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.626 14.743 0.883 1.00 0.00 C ATOM 0 H TRP A 530 -1.516 12.394 -2.747 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.611 14.264 -0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 530 0.736 12.890 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.208 14.118 -3.585 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.449 16.420 -3.552 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.488 17.370 -2.295 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.004 12.748 -0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.157 16.605 -0.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 3.847 12.873 1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.427 14.789 1.605 1.00 0.00 H new