USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 517 SER OG : rot 180:sc= 0.661 USER MOD Set 1.2: A 519 THR OG1 : rot -161:sc= 0.978 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 460 SER OG : rot 68:sc= 1.2 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 -78:sc= 0.141 USER MOD Single : A 498 GLN : amide:sc= -0.0814 K(o=-0.081,f=-0.6) USER MOD Single : A 504 CYS SG : rot 71:sc= 0.607 USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 514 CYS SG : rot 7:sc= 0.0148 USER MOD Single : A 516 SER OG : rot 180:sc= 0.612 USER MOD Single : A 521 LYS NZ :NH3+ -171:sc= 1.14 (180deg=1.08) USER MOD Single : A 523 LYS NZ :NH3+ -149:sc= 0.734 (180deg=0.354) USER MOD Single : A 526 GLN : amide:sc= 0.697 K(o=0.7,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.317 13.678 -8.288 1.00 0.00 N ATOM 80 CA ARG A 441 -1.281 12.303 -8.814 1.00 0.00 C ATOM 81 C ARG A 441 -0.376 11.366 -7.994 1.00 0.00 C ATOM 82 O ARG A 441 -0.388 10.153 -8.214 1.00 0.00 O ATOM 83 CB ARG A 441 -0.845 12.310 -10.288 1.00 0.00 C ATOM 84 CG ARG A 441 -1.901 12.998 -11.165 1.00 0.00 C ATOM 85 CD ARG A 441 -1.624 12.913 -12.669 1.00 0.00 C ATOM 86 NE ARG A 441 -0.448 13.712 -13.062 1.00 0.00 N ATOM 87 CZ ARG A 441 0.782 13.281 -13.327 1.00 0.00 C ATOM 88 NH1 ARG A 441 1.129 12.014 -13.240 1.00 0.00 N ATOM 89 NH2 ARG A 441 1.704 14.146 -13.688 1.00 0.00 N ATOM 0 HA ARG A 441 -2.294 11.909 -8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.110 12.827 -10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.691 11.287 -10.631 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.874 12.550 -10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.967 14.048 -10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -1.465 11.872 -12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.499 13.261 -13.219 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.596 14.718 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 441 0.441 11.315 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 441 2.086 11.731 -13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.473 15.137 -13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 441 2.651 13.826 -13.894 1.00 0.00 H new ATOM 103 N LYS A 442 0.405 11.902 -7.047 1.00 0.00 N ATOM 104 CA LYS A 442 1.186 11.111 -6.091 1.00 0.00 C ATOM 105 C LYS A 442 0.312 10.637 -4.911 1.00 0.00 C ATOM 106 O LYS A 442 -0.506 11.402 -4.400 1.00 0.00 O ATOM 107 CB LYS A 442 2.415 11.928 -5.642 1.00 0.00 C ATOM 108 CG LYS A 442 3.343 11.120 -4.714 1.00 0.00 C ATOM 109 CD LYS A 442 4.708 11.787 -4.487 1.00 0.00 C ATOM 110 CE LYS A 442 4.589 13.046 -3.619 1.00 0.00 C ATOM 111 NZ LYS A 442 5.920 13.638 -3.320 1.00 0.00 N ATOM 0 H LYS A 442 0.513 12.909 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 442 1.547 10.202 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 442 2.974 12.252 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 442 2.082 12.828 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.850 10.980 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.497 10.129 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.384 11.078 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.149 12.049 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.970 13.783 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 442 4.084 12.798 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.798 14.487 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.502 12.944 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.392 13.898 -4.209 1.00 0.00 H new ATOM 125 N VAL A 443 0.502 9.397 -4.452 1.00 0.00 N ATOM 126 CA VAL A 443 -0.203 8.816 -3.289 1.00 0.00 C ATOM 127 C VAL A 443 0.775 7.996 -2.449 1.00 0.00 C ATOM 128 O VAL A 443 1.325 7.012 -2.933 1.00 0.00 O ATOM 129 CB VAL A 443 -1.394 7.923 -3.724 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.157 7.361 -2.514 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.388 8.662 -4.633 1.00 0.00 C ATOM 0 H VAL A 443 1.162 8.750 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.602 9.640 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 443 -0.949 7.104 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -2.984 6.741 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.482 6.759 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.547 8.184 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.201 7.989 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.793 9.524 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.876 8.998 -5.535 1.00 0.00 H new ATOM 141 N PHE A 444 0.979 8.377 -1.187 1.00 0.00 N ATOM 142 CA PHE A 444 1.732 7.579 -0.218 1.00 0.00 C ATOM 143 C PHE A 444 0.898 6.368 0.234 1.00 0.00 C ATOM 144 O PHE A 444 -0.304 6.494 0.475 1.00 0.00 O ATOM 145 CB PHE A 444 2.128 8.474 0.967 1.00 0.00 C ATOM 146 CG PHE A 444 2.847 7.767 2.106 1.00 0.00 C ATOM 147 CD1 PHE A 444 2.120 7.057 3.083 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.250 7.833 2.203 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.786 6.432 4.151 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.916 7.218 3.278 1.00 0.00 C ATOM 151 CZ PHE A 444 4.184 6.520 4.254 1.00 0.00 C ATOM 0 H PHE A 444 0.624 9.254 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 444 2.642 7.192 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.768 9.275 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.227 8.943 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 444 1.044 6.993 3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.817 8.358 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.223 5.884 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.991 7.282 3.354 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.696 6.052 5.082 1.00 0.00 H new ATOM 161 N VAL A 445 1.543 5.210 0.387 1.00 0.00 N ATOM 162 CA VAL A 445 0.941 3.969 0.905 1.00 0.00 C ATOM 163 C VAL A 445 1.831 3.402 2.005 1.00 0.00 C ATOM 164 O VAL A 445 3.008 3.146 1.756 1.00 0.00 O ATOM 165 CB VAL A 445 0.745 2.916 -0.208 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.115 1.616 0.326 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.143 3.466 -1.327 1.00 0.00 C ATOM 0 H VAL A 445 2.529 5.101 0.148 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.044 4.210 1.304 1.00 0.00 H new ATOM 0 HB VAL A 445 1.738 2.689 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.003 0.906 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.762 1.185 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.861 1.836 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.267 2.707 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.118 3.732 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.323 4.351 -1.760 1.00 0.00 H new ATOM 177 N GLY A 446 1.270 3.206 3.203 1.00 0.00 N ATOM 178 CA GLY A 446 1.971 2.669 4.378 1.00 0.00 C ATOM 179 C GLY A 446 1.389 1.343 4.869 1.00 0.00 C ATOM 180 O GLY A 446 0.180 1.127 4.805 1.00 0.00 O ATOM 0 H GLY A 446 0.290 3.422 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.024 2.528 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 446 1.927 3.400 5.186 1.00 0.00 H new ATOM 184 N GLY A 447 2.252 0.466 5.388 1.00 0.00 N ATOM 185 CA GLY A 447 1.899 -0.874 5.886 1.00 0.00 C ATOM 186 C GLY A 447 2.112 -2.000 4.868 1.00 0.00 C ATOM 187 O GLY A 447 1.598 -3.099 5.074 1.00 0.00 O ATOM 0 H GLY A 447 3.247 0.671 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.492 -1.087 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 447 0.853 -0.871 6.194 1.00 0.00 H new ATOM 191 N LEU A 448 2.839 -1.740 3.773 1.00 0.00 N ATOM 192 CA LEU A 448 3.176 -2.722 2.732 1.00 0.00 C ATOM 193 C LEU A 448 3.956 -3.913 3.338 1.00 0.00 C ATOM 194 O LEU A 448 4.832 -3.678 4.180 1.00 0.00 O ATOM 195 CB LEU A 448 4.017 -2.033 1.635 1.00 0.00 C ATOM 196 CG LEU A 448 3.260 -0.983 0.794 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.250 -0.220 -0.094 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.193 -1.626 -0.106 1.00 0.00 C ATOM 0 H LEU A 448 3.220 -0.814 3.581 1.00 0.00 H new ATOM 0 HA LEU A 448 2.256 -3.109 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 448 4.874 -1.550 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.410 -2.798 0.965 1.00 0.00 H new ATOM 0 HG LEU A 448 2.763 -0.308 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.712 0.520 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 448 4.988 0.282 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.755 -0.920 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.685 -0.850 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.669 -2.330 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.467 -2.155 0.511 1.00 0.00 H new ATOM 210 N PRO A 449 3.679 -5.170 2.923 1.00 0.00 N ATOM 211 CA PRO A 449 4.431 -6.348 3.360 1.00 0.00 C ATOM 212 C PRO A 449 5.947 -6.230 3.105 1.00 0.00 C ATOM 213 O PRO A 449 6.350 -5.555 2.156 1.00 0.00 O ATOM 214 CB PRO A 449 3.842 -7.519 2.570 1.00 0.00 C ATOM 215 CG PRO A 449 2.403 -7.082 2.311 1.00 0.00 C ATOM 216 CD PRO A 449 2.570 -5.585 2.068 1.00 0.00 C ATOM 0 HA PRO A 449 4.338 -6.476 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.384 -7.689 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.884 -8.448 3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.970 -7.590 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.754 -7.288 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.785 -5.380 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.658 -5.043 2.318 1.00 0.00 H new ATOM 224 N PRO A 450 6.799 -6.904 3.903 1.00 0.00 N ATOM 225 CA PRO A 450 8.257 -6.811 3.798 1.00 0.00 C ATOM 226 C PRO A 450 8.859 -7.608 2.619 1.00 0.00 C ATOM 227 O PRO A 450 10.082 -7.667 2.490 1.00 0.00 O ATOM 228 CB PRO A 450 8.773 -7.299 5.158 1.00 0.00 C ATOM 229 CG PRO A 450 7.728 -8.332 5.575 1.00 0.00 C ATOM 230 CD PRO A 450 6.427 -7.740 5.038 1.00 0.00 C ATOM 0 HA PRO A 450 8.564 -5.789 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.766 -7.740 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.844 -6.484 5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.934 -9.312 5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.697 -8.460 6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.738 -8.527 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.921 -7.153 5.804 1.00 0.00 H new ATOM 238 N ASP A 451 8.029 -8.206 1.753 1.00 0.00 N ATOM 239 CA ASP A 451 8.431 -9.094 0.648 1.00 0.00 C ATOM 240 C ASP A 451 7.712 -8.749 -0.678 1.00 0.00 C ATOM 241 O ASP A 451 7.640 -9.577 -1.589 1.00 0.00 O ATOM 242 CB ASP A 451 8.181 -10.559 1.055 1.00 0.00 C ATOM 243 CG ASP A 451 9.044 -11.025 2.240 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.270 -11.220 2.053 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.482 -11.262 3.336 1.00 0.00 O ATOM 0 H ASP A 451 7.018 -8.081 1.803 1.00 0.00 H new ATOM 0 HA ASP A 451 9.495 -8.946 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 451 7.129 -10.681 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 451 8.377 -11.204 0.198 1.00 0.00 H new ATOM 250 N ILE A 452 7.142 -7.541 -0.793 1.00 0.00 N ATOM 251 CA ILE A 452 6.405 -7.086 -1.986 1.00 0.00 C ATOM 252 C ILE A 452 7.272 -6.178 -2.875 1.00 0.00 C ATOM 253 O ILE A 452 7.908 -5.239 -2.398 1.00 0.00 O ATOM 254 CB ILE A 452 5.061 -6.442 -1.571 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.103 -6.449 -2.778 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.217 -5.025 -0.990 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.693 -5.952 -2.453 1.00 0.00 C ATOM 0 H ILE A 452 7.179 -6.842 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 452 6.164 -7.950 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 452 4.643 -7.041 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.524 -5.826 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.038 -7.463 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.237 -4.633 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.850 -5.063 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.675 -4.375 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.079 -5.987 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.251 -6.588 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.744 -4.926 -2.088 1.00 0.00 H new ATOM 269 N ASP A 453 7.315 -6.470 -4.176 1.00 0.00 N ATOM 270 CA ASP A 453 8.137 -5.760 -5.164 1.00 0.00 C ATOM 271 C ASP A 453 7.354 -4.704 -5.968 1.00 0.00 C ATOM 272 O ASP A 453 6.124 -4.652 -5.926 1.00 0.00 O ATOM 273 CB ASP A 453 8.804 -6.785 -6.092 1.00 0.00 C ATOM 274 CG ASP A 453 7.790 -7.517 -6.982 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.448 -6.969 -8.055 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.353 -8.626 -6.598 1.00 0.00 O ATOM 0 H ASP A 453 6.766 -7.226 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 453 8.898 -5.200 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.536 -6.279 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.349 -7.514 -5.492 1.00 0.00 H new ATOM 281 N GLU A 454 8.083 -3.876 -6.725 1.00 0.00 N ATOM 282 CA GLU A 454 7.549 -2.743 -7.493 1.00 0.00 C ATOM 283 C GLU A 454 6.367 -3.119 -8.407 1.00 0.00 C ATOM 284 O GLU A 454 5.381 -2.384 -8.471 1.00 0.00 O ATOM 285 CB GLU A 454 8.684 -2.142 -8.341 1.00 0.00 C ATOM 286 CG GLU A 454 8.327 -0.786 -8.962 1.00 0.00 C ATOM 287 CD GLU A 454 9.469 -0.280 -9.854 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.550 0.051 -9.315 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.297 -0.221 -11.095 1.00 0.00 O ATOM 0 H GLU A 454 9.093 -3.978 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 454 7.163 -2.020 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.571 -2.026 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 454 8.943 -2.841 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.414 -0.879 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.126 -0.061 -8.173 1.00 0.00 H new ATOM 296 N ASP A 455 6.433 -4.266 -9.088 1.00 0.00 N ATOM 297 CA ASP A 455 5.415 -4.700 -10.051 1.00 0.00 C ATOM 298 C ASP A 455 4.172 -5.287 -9.363 1.00 0.00 C ATOM 299 O ASP A 455 3.073 -5.199 -9.907 1.00 0.00 O ATOM 300 CB ASP A 455 6.036 -5.707 -11.028 1.00 0.00 C ATOM 301 CG ASP A 455 5.116 -6.003 -12.226 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.882 -5.082 -13.045 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.668 -7.166 -12.370 1.00 0.00 O ATOM 0 H ASP A 455 7.203 -4.927 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 455 5.073 -3.824 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 455 6.987 -5.318 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.252 -6.636 -10.500 1.00 0.00 H new ATOM 308 N GLU A 456 4.324 -5.810 -8.144 1.00 0.00 N ATOM 309 CA GLU A 456 3.203 -6.233 -7.296 1.00 0.00 C ATOM 310 C GLU A 456 2.538 -5.047 -6.591 1.00 0.00 C ATOM 311 O GLU A 456 1.312 -5.024 -6.483 1.00 0.00 O ATOM 312 CB GLU A 456 3.654 -7.255 -6.249 1.00 0.00 C ATOM 313 CG GLU A 456 3.952 -8.632 -6.839 1.00 0.00 C ATOM 314 CD GLU A 456 2.701 -9.331 -7.399 1.00 0.00 C ATOM 315 OE1 GLU A 456 1.857 -9.799 -6.599 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.569 -9.450 -8.640 1.00 0.00 O ATOM 0 H GLU A 456 5.237 -5.954 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 456 2.472 -6.696 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.547 -6.881 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.879 -7.353 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.690 -8.528 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.399 -9.262 -6.070 1.00 0.00 H new ATOM 323 N ILE A 457 3.294 -4.028 -6.168 1.00 0.00 N ATOM 324 CA ILE A 457 2.702 -2.767 -5.684 1.00 0.00 C ATOM 325 C ILE A 457 1.978 -2.063 -6.845 1.00 0.00 C ATOM 326 O ILE A 457 0.887 -1.532 -6.644 1.00 0.00 O ATOM 327 CB ILE A 457 3.749 -1.848 -5.009 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.507 -2.527 -3.842 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.042 -0.589 -4.458 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.829 -1.823 -3.504 1.00 0.00 C ATOM 0 H ILE A 457 4.314 -4.047 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 457 1.973 -3.002 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 457 4.482 -1.600 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.870 -2.538 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.710 -3.566 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 457 3.776 0.061 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.561 -0.054 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.290 -0.885 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.317 -2.342 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.481 -1.835 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.628 -0.791 -3.216 1.00 0.00 H new ATOM 342 N THR A 458 2.513 -2.137 -8.073 1.00 0.00 N ATOM 343 CA THR A 458 1.836 -1.651 -9.285 1.00 0.00 C ATOM 344 C THR A 458 0.561 -2.439 -9.539 1.00 0.00 C ATOM 345 O THR A 458 -0.495 -1.826 -9.653 1.00 0.00 O ATOM 346 CB THR A 458 2.776 -1.674 -10.500 1.00 0.00 C ATOM 347 OG1 THR A 458 3.911 -0.887 -10.227 1.00 0.00 O ATOM 348 CG2 THR A 458 2.123 -1.097 -11.756 1.00 0.00 C ATOM 0 H THR A 458 3.433 -2.538 -8.254 1.00 0.00 H new ATOM 0 HA THR A 458 1.555 -0.610 -9.124 1.00 0.00 H new ATOM 0 HB THR A 458 3.032 -2.718 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.493 -1.360 -9.596 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.830 -1.137 -12.585 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.237 -1.681 -12.006 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.836 -0.061 -11.574 1.00 0.00 H new ATOM 356 N ALA A 459 0.605 -3.774 -9.566 1.00 0.00 N ATOM 357 CA ALA A 459 -0.581 -4.617 -9.752 1.00 0.00 C ATOM 358 C ALA A 459 -1.638 -4.419 -8.648 1.00 0.00 C ATOM 359 O ALA A 459 -2.837 -4.503 -8.915 1.00 0.00 O ATOM 360 CB ALA A 459 -0.134 -6.081 -9.840 1.00 0.00 C ATOM 0 H ALA A 459 1.470 -4.304 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.070 -4.320 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.006 -6.720 -9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.544 -6.204 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.378 -6.361 -8.920 1.00 0.00 H new ATOM 366 N SER A 460 -1.211 -4.084 -7.429 1.00 0.00 N ATOM 367 CA SER A 460 -2.090 -3.760 -6.299 1.00 0.00 C ATOM 368 C SER A 460 -2.885 -2.454 -6.471 1.00 0.00 C ATOM 369 O SER A 460 -3.860 -2.252 -5.743 1.00 0.00 O ATOM 370 CB SER A 460 -1.286 -3.690 -4.993 1.00 0.00 C ATOM 371 OG SER A 460 -0.720 -4.945 -4.651 1.00 0.00 O ATOM 0 H SER A 460 -0.220 -4.029 -7.192 1.00 0.00 H new ATOM 0 HA SER A 460 -2.818 -4.570 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.492 -2.950 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.935 -3.352 -4.185 1.00 0.00 H new ATOM 0 HG SER A 460 -0.029 -5.181 -5.304 1.00 0.00 H new ATOM 377 N PHE A 461 -2.531 -1.589 -7.434 1.00 0.00 N ATOM 378 CA PHE A 461 -3.239 -0.327 -7.697 1.00 0.00 C ATOM 379 C PHE A 461 -3.546 -0.083 -9.191 1.00 0.00 C ATOM 380 O PHE A 461 -4.261 0.865 -9.517 1.00 0.00 O ATOM 381 CB PHE A 461 -2.467 0.820 -7.027 1.00 0.00 C ATOM 382 CG PHE A 461 -2.507 0.793 -5.505 1.00 0.00 C ATOM 383 CD1 PHE A 461 -3.526 1.466 -4.805 1.00 0.00 C ATOM 384 CD2 PHE A 461 -1.514 0.107 -4.778 1.00 0.00 C ATOM 385 CE1 PHE A 461 -3.546 1.453 -3.397 1.00 0.00 C ATOM 386 CE2 PHE A 461 -1.545 0.072 -3.374 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.563 0.746 -2.681 1.00 0.00 C ATOM 0 H PHE A 461 -1.739 -1.747 -8.057 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.232 -0.386 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.428 0.783 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.876 1.769 -7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -4.295 1.994 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -0.719 -0.398 -5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.319 1.988 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -0.788 -0.472 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.591 0.722 -1.602 1.00 0.00 H new ATOM 397 N ARG A 462 -3.126 -0.978 -10.099 1.00 0.00 N ATOM 398 CA ARG A 462 -3.458 -0.947 -11.538 1.00 0.00 C ATOM 399 C ARG A 462 -4.972 -1.041 -11.806 1.00 0.00 C ATOM 400 O ARG A 462 -5.456 -0.542 -12.822 1.00 0.00 O ATOM 401 CB ARG A 462 -2.696 -2.073 -12.267 1.00 0.00 C ATOM 402 CG ARG A 462 -2.517 -1.856 -13.781 1.00 0.00 C ATOM 403 CD ARG A 462 -1.549 -0.704 -14.078 1.00 0.00 C ATOM 404 NE ARG A 462 -1.263 -0.584 -15.519 1.00 0.00 N ATOM 405 CZ ARG A 462 -0.196 -0.014 -16.070 1.00 0.00 C ATOM 406 NH1 ARG A 462 0.792 0.475 -15.348 1.00 0.00 N ATOM 407 NH2 ARG A 462 -0.113 0.080 -17.378 1.00 0.00 N ATOM 0 H ARG A 462 -2.529 -1.766 -9.849 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.143 0.021 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.712 -2.181 -11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -3.226 -3.012 -12.109 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.144 -2.772 -14.238 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.485 -1.644 -14.235 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -1.975 0.231 -13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -0.617 -0.863 -13.535 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.954 -0.978 -16.158 1.00 0.00 H new ATOM 0 HH11 ARG A 462 0.754 0.423 -14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 462 1.595 0.905 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -0.865 -0.283 -17.964 1.00 0.00 H new ATOM 0 HH22 ARG A 462 0.703 0.516 -17.807 1.00 0.00 H new ATOM 421 N ARG A 463 -5.731 -1.588 -10.844 1.00 0.00 N ATOM 422 CA ARG A 463 -7.205 -1.597 -10.782 1.00 0.00 C ATOM 423 C ARG A 463 -7.873 -0.201 -10.816 1.00 0.00 C ATOM 424 O ARG A 463 -9.085 -0.122 -11.018 1.00 0.00 O ATOM 425 CB ARG A 463 -7.669 -2.429 -9.562 1.00 0.00 C ATOM 426 CG ARG A 463 -6.985 -2.063 -8.229 1.00 0.00 C ATOM 427 CD ARG A 463 -7.548 -2.867 -7.046 1.00 0.00 C ATOM 428 NE ARG A 463 -6.621 -2.837 -5.900 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.736 -3.470 -4.739 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.816 -4.139 -4.398 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.722 -3.432 -3.905 1.00 0.00 N ATOM 0 H ARG A 463 -5.312 -2.062 -10.044 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.546 -2.068 -11.704 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.746 -2.308 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.487 -3.484 -9.769 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.913 -2.244 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.115 -0.998 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.513 -2.457 -6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.721 -3.899 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.789 -2.258 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.610 -4.186 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.860 -4.611 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.874 -2.925 -4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.783 -3.910 -3.006 1.00 0.00 H new ATOM 445 N PHE A 464 -7.102 0.887 -10.681 1.00 0.00 N ATOM 446 CA PHE A 464 -7.566 2.280 -10.774 1.00 0.00 C ATOM 447 C PHE A 464 -7.105 3.014 -12.049 1.00 0.00 C ATOM 448 O PHE A 464 -7.508 4.157 -12.274 1.00 0.00 O ATOM 449 CB PHE A 464 -7.108 3.015 -9.506 1.00 0.00 C ATOM 450 CG PHE A 464 -7.615 2.366 -8.234 1.00 0.00 C ATOM 451 CD1 PHE A 464 -9.000 2.273 -8.008 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.719 1.774 -7.323 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.488 1.581 -6.891 1.00 0.00 C ATOM 454 CE2 PHE A 464 -7.209 1.074 -6.207 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.595 0.978 -5.987 1.00 0.00 C ATOM 0 H PHE A 464 -6.101 0.820 -10.497 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.653 2.271 -10.848 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -6.019 3.046 -9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.455 4.047 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.690 2.736 -8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.654 1.858 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.553 1.511 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.520 0.609 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.972 0.444 -5.128 1.00 0.00 H new ATOM 465 N GLY A 465 -6.289 2.368 -12.890 1.00 0.00 N ATOM 466 CA GLY A 465 -5.676 2.926 -14.104 1.00 0.00 C ATOM 467 C GLY A 465 -4.141 2.859 -14.079 1.00 0.00 C ATOM 468 O GLY A 465 -3.572 2.367 -13.099 1.00 0.00 O ATOM 0 H GLY A 465 -6.025 1.395 -12.736 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -6.045 2.383 -14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.988 3.964 -14.219 1.00 0.00 H new ATOM 472 N PRO A 466 -3.457 3.313 -15.150 1.00 0.00 N ATOM 473 CA PRO A 466 -2.002 3.241 -15.270 1.00 0.00 C ATOM 474 C PRO A 466 -1.272 4.070 -14.208 1.00 0.00 C ATOM 475 O PRO A 466 -1.729 5.146 -13.820 1.00 0.00 O ATOM 476 CB PRO A 466 -1.669 3.719 -16.689 1.00 0.00 C ATOM 477 CG PRO A 466 -2.966 3.488 -17.460 1.00 0.00 C ATOM 478 CD PRO A 466 -4.031 3.776 -16.405 1.00 0.00 C ATOM 0 HA PRO A 466 -1.660 2.220 -15.100 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.378 4.769 -16.700 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.841 3.154 -17.118 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -3.053 4.155 -18.318 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -3.036 2.469 -17.840 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.266 4.839 -16.362 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.960 3.253 -16.630 1.00 0.00 H new ATOM 486 N LEU A 467 -0.114 3.569 -13.765 1.00 0.00 N ATOM 487 CA LEU A 467 0.733 4.165 -12.730 1.00 0.00 C ATOM 488 C LEU A 467 2.177 3.641 -12.784 1.00 0.00 C ATOM 489 O LEU A 467 2.463 2.647 -13.456 1.00 0.00 O ATOM 490 CB LEU A 467 0.107 3.932 -11.329 1.00 0.00 C ATOM 491 CG LEU A 467 0.270 2.516 -10.725 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.051 2.571 -9.212 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.704 1.500 -11.328 1.00 0.00 C ATOM 0 H LEU A 467 0.274 2.701 -14.134 1.00 0.00 H new ATOM 0 HA LEU A 467 0.784 5.237 -12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.545 4.651 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.958 4.156 -11.390 1.00 0.00 H new ATOM 0 HG LEU A 467 1.282 2.187 -10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.167 1.572 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.784 3.241 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.954 2.939 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.544 0.525 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.728 1.825 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.534 1.426 -12.402 1.00 0.00 H new ATOM 505 N VAL A 468 3.057 4.276 -12.009 1.00 0.00 N ATOM 506 CA VAL A 468 4.414 3.805 -11.679 1.00 0.00 C ATOM 507 C VAL A 468 4.625 3.938 -10.160 1.00 0.00 C ATOM 508 O VAL A 468 3.878 4.663 -9.503 1.00 0.00 O ATOM 509 CB VAL A 468 5.504 4.521 -12.520 1.00 0.00 C ATOM 510 CG1 VAL A 468 5.947 5.884 -11.996 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.728 3.615 -12.711 1.00 0.00 C ATOM 0 H VAL A 468 2.840 5.172 -11.572 1.00 0.00 H new ATOM 0 HA VAL A 468 4.513 2.753 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 468 5.020 4.720 -13.476 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.710 6.297 -12.656 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.091 6.558 -11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.357 5.772 -10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.479 4.138 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.147 3.360 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.429 2.703 -13.228 1.00 0.00 H new ATOM 521 N VAL A 469 5.601 3.227 -9.589 1.00 0.00 N ATOM 522 CA VAL A 469 5.799 3.113 -8.131 1.00 0.00 C ATOM 523 C VAL A 469 7.280 3.269 -7.773 1.00 0.00 C ATOM 524 O VAL A 469 8.146 2.719 -8.453 1.00 0.00 O ATOM 525 CB VAL A 469 5.258 1.762 -7.602 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.483 1.607 -6.086 1.00 0.00 C ATOM 527 CG2 VAL A 469 3.754 1.610 -7.895 1.00 0.00 C ATOM 0 H VAL A 469 6.290 2.704 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 469 5.239 3.917 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 469 5.814 0.984 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.089 0.646 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.550 1.655 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 469 4.969 2.410 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.404 0.652 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.205 2.417 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.587 1.653 -8.971 1.00 0.00 H new ATOM 537 N ASP A 470 7.561 4.004 -6.691 1.00 0.00 N ATOM 538 CA ASP A 470 8.914 4.267 -6.185 1.00 0.00 C ATOM 539 C ASP A 470 8.921 4.586 -4.674 1.00 0.00 C ATOM 540 O ASP A 470 7.869 4.840 -4.087 1.00 0.00 O ATOM 541 CB ASP A 470 9.553 5.394 -7.020 1.00 0.00 C ATOM 542 CG ASP A 470 11.085 5.350 -6.956 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.651 4.291 -7.317 1.00 0.00 O ATOM 544 OD2 ASP A 470 11.704 6.361 -6.551 1.00 0.00 O ATOM 0 H ASP A 470 6.834 4.445 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 470 9.513 3.363 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.230 5.306 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 470 9.201 6.360 -6.657 1.00 0.00 H new ATOM 786 N GLY A 485 8.434 -0.529 4.783 1.00 0.00 N ATOM 787 CA GLY A 485 7.007 -0.880 4.690 1.00 0.00 C ATOM 788 C GLY A 485 6.121 0.217 4.091 1.00 0.00 C ATOM 789 O GLY A 485 4.923 0.234 4.358 1.00 0.00 O ATOM 0 HA2 GLY A 485 6.906 -1.781 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 485 6.640 -1.122 5.687 1.00 0.00 H new ATOM 793 N TYR A 486 6.677 1.125 3.283 1.00 0.00 N ATOM 794 CA TYR A 486 5.922 2.202 2.627 1.00 0.00 C ATOM 795 C TYR A 486 6.510 2.625 1.269 1.00 0.00 C ATOM 796 O TYR A 486 7.707 2.468 1.023 1.00 0.00 O ATOM 797 CB TYR A 486 5.766 3.403 3.577 1.00 0.00 C ATOM 798 CG TYR A 486 7.044 4.126 3.975 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.653 5.036 3.088 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.585 3.940 5.262 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.807 5.745 3.475 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.729 4.658 5.662 1.00 0.00 C ATOM 803 CZ TYR A 486 9.350 5.556 4.766 1.00 0.00 C ATOM 804 OH TYR A 486 10.460 6.245 5.154 1.00 0.00 O ATOM 0 H TYR A 486 7.673 1.135 3.063 1.00 0.00 H new ATOM 0 HA TYR A 486 4.934 1.801 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 486 5.098 4.125 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.273 3.057 4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 486 7.232 5.191 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.121 3.244 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 486 9.276 6.432 2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 486 9.132 4.522 6.655 1.00 0.00 H new ATOM 0 HH TYR A 486 10.696 5.995 6.071 1.00 0.00 H new ATOM 814 N ALA A 487 5.663 3.183 0.394 1.00 0.00 N ATOM 815 CA ALA A 487 6.026 3.631 -0.953 1.00 0.00 C ATOM 816 C ALA A 487 5.082 4.729 -1.474 1.00 0.00 C ATOM 817 O ALA A 487 4.035 5.003 -0.879 1.00 0.00 O ATOM 818 CB ALA A 487 6.048 2.411 -1.893 1.00 0.00 C ATOM 0 H ALA A 487 4.679 3.339 0.612 1.00 0.00 H new ATOM 0 HA ALA A 487 7.018 4.081 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.317 2.732 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.781 1.688 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 487 5.061 1.948 -1.911 1.00 0.00 H new ATOM 824 N PHE A 488 5.455 5.330 -2.605 1.00 0.00 N ATOM 825 CA PHE A 488 4.685 6.331 -3.336 1.00 0.00 C ATOM 826 C PHE A 488 4.235 5.781 -4.697 1.00 0.00 C ATOM 827 O PHE A 488 5.050 5.379 -5.529 1.00 0.00 O ATOM 828 CB PHE A 488 5.533 7.594 -3.545 1.00 0.00 C ATOM 829 CG PHE A 488 5.855 8.379 -2.287 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.916 9.291 -1.768 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.113 8.242 -1.669 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.247 10.088 -0.658 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.436 9.026 -0.546 1.00 0.00 C ATOM 834 CZ PHE A 488 6.507 9.956 -0.048 1.00 0.00 C ATOM 0 H PHE A 488 6.346 5.120 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 488 3.801 6.580 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.470 7.307 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.009 8.252 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.940 9.378 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.831 7.534 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.533 10.802 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.397 8.913 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.761 10.570 0.804 1.00 0.00 H new ATOM 844 N LEU A 489 2.923 5.812 -4.926 1.00 0.00 N ATOM 845 CA LEU A 489 2.280 5.569 -6.215 1.00 0.00 C ATOM 846 C LEU A 489 2.218 6.886 -6.989 1.00 0.00 C ATOM 847 O LEU A 489 1.940 7.932 -6.395 1.00 0.00 O ATOM 848 CB LEU A 489 0.839 5.061 -6.011 1.00 0.00 C ATOM 849 CG LEU A 489 0.612 3.954 -4.966 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.894 3.692 -4.871 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.356 2.656 -5.295 1.00 0.00 C ATOM 0 H LEU A 489 2.251 6.016 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 489 2.854 4.820 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.218 5.914 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.473 4.696 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 489 1.013 4.297 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -1.082 2.910 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.404 4.606 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.270 3.373 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.155 1.915 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.016 2.276 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.427 2.852 -5.341 1.00 0.00 H new ATOM 863 N LEU A 490 2.412 6.818 -8.304 1.00 0.00 N ATOM 864 CA LEU A 490 2.313 7.932 -9.248 1.00 0.00 C ATOM 865 C LEU A 490 1.372 7.515 -10.382 1.00 0.00 C ATOM 866 O LEU A 490 1.771 6.739 -11.255 1.00 0.00 O ATOM 867 CB LEU A 490 3.710 8.247 -9.817 1.00 0.00 C ATOM 868 CG LEU A 490 4.843 8.548 -8.824 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.147 8.701 -9.621 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.549 9.809 -8.007 1.00 0.00 C ATOM 0 H LEU A 490 2.655 5.941 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 490 1.927 8.821 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.019 7.400 -10.430 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.614 9.104 -10.483 1.00 0.00 H new ATOM 0 HG LEU A 490 4.934 7.728 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.968 8.916 -8.937 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.355 7.776 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 490 6.044 9.520 -10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.370 9.993 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.442 10.661 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.625 9.672 -7.446 1.00 0.00 H new ATOM 882 N PHE A 491 0.128 7.996 -10.362 1.00 0.00 N ATOM 883 CA PHE A 491 -0.890 7.644 -11.360 1.00 0.00 C ATOM 884 C PHE A 491 -0.799 8.528 -12.612 1.00 0.00 C ATOM 885 O PHE A 491 -0.328 9.665 -12.555 1.00 0.00 O ATOM 886 CB PHE A 491 -2.284 7.720 -10.723 1.00 0.00 C ATOM 887 CG PHE A 491 -2.551 6.657 -9.671 1.00 0.00 C ATOM 888 CD1 PHE A 491 -2.213 6.897 -8.325 1.00 0.00 C ATOM 889 CD2 PHE A 491 -3.144 5.429 -10.030 1.00 0.00 C ATOM 890 CE1 PHE A 491 -2.496 5.935 -7.341 1.00 0.00 C ATOM 891 CE2 PHE A 491 -3.404 4.459 -9.047 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.097 4.717 -7.701 1.00 0.00 C ATOM 0 H PHE A 491 -0.206 8.645 -9.650 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.706 6.622 -11.690 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.410 8.703 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -3.035 7.633 -11.509 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -1.734 7.825 -8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -3.399 5.234 -11.061 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -2.252 6.132 -6.308 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -3.841 3.512 -9.327 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.322 3.980 -6.944 1.00 0.00 H new ATOM 902 N GLN A 492 -1.276 8.020 -13.749 1.00 0.00 N ATOM 903 CA GLN A 492 -1.270 8.741 -15.028 1.00 0.00 C ATOM 904 C GLN A 492 -2.277 9.907 -15.059 1.00 0.00 C ATOM 905 O GLN A 492 -2.039 10.900 -15.745 1.00 0.00 O ATOM 906 CB GLN A 492 -1.533 7.722 -16.149 1.00 0.00 C ATOM 907 CG GLN A 492 -1.366 8.301 -17.563 1.00 0.00 C ATOM 908 CD GLN A 492 -1.539 7.226 -18.637 1.00 0.00 C ATOM 909 OE1 GLN A 492 -2.639 6.919 -19.079 1.00 0.00 O ATOM 910 NE2 GLN A 492 -0.470 6.606 -19.099 1.00 0.00 N ATOM 0 H GLN A 492 -1.682 7.087 -13.811 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.296 9.208 -15.171 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.852 6.879 -16.029 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.545 7.332 -16.043 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -2.097 9.094 -17.720 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -0.379 8.754 -17.657 1.00 0.00 H new ATOM 0 HE21 GLN A 492 0.454 6.849 -18.742 1.00 0.00 H new ATOM 0 HE22 GLN A 492 -0.568 5.884 -19.813 1.00 0.00 H new ATOM 919 N GLU A 493 -3.366 9.824 -14.285 1.00 0.00 N ATOM 920 CA GLU A 493 -4.430 10.833 -14.202 1.00 0.00 C ATOM 921 C GLU A 493 -4.950 10.954 -12.762 1.00 0.00 C ATOM 922 O GLU A 493 -5.003 9.971 -12.021 1.00 0.00 O ATOM 923 CB GLU A 493 -5.596 10.480 -15.146 1.00 0.00 C ATOM 924 CG GLU A 493 -5.212 10.497 -16.632 1.00 0.00 C ATOM 925 CD GLU A 493 -6.450 10.346 -17.529 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.823 9.199 -17.872 1.00 0.00 O ATOM 927 OE2 GLU A 493 -7.046 11.379 -17.920 1.00 0.00 O ATOM 0 H GLU A 493 -3.537 9.023 -13.677 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.007 11.789 -14.509 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.974 9.491 -14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.411 11.185 -14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.701 11.431 -16.867 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.510 9.689 -16.838 1.00 0.00 H new ATOM 934 N GLU A 494 -5.365 12.162 -12.363 1.00 0.00 N ATOM 935 CA GLU A 494 -5.904 12.426 -11.018 1.00 0.00 C ATOM 936 C GLU A 494 -7.210 11.652 -10.759 1.00 0.00 C ATOM 937 O GLU A 494 -7.480 11.229 -9.635 1.00 0.00 O ATOM 938 CB GLU A 494 -6.148 13.934 -10.831 1.00 0.00 C ATOM 939 CG GLU A 494 -4.853 14.753 -10.813 1.00 0.00 C ATOM 940 CD GLU A 494 -5.141 16.254 -10.661 1.00 0.00 C ATOM 941 OE1 GLU A 494 -5.574 16.892 -11.650 1.00 0.00 O ATOM 942 OE2 GLU A 494 -4.919 16.809 -9.560 1.00 0.00 O ATOM 0 H GLU A 494 -5.338 12.987 -12.962 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.163 12.081 -10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -6.789 14.295 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.687 14.096 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -4.220 14.417 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.298 14.579 -11.735 1.00 0.00 H new ATOM 949 N SER A 495 -7.990 11.369 -11.804 1.00 0.00 N ATOM 950 CA SER A 495 -9.192 10.530 -11.731 1.00 0.00 C ATOM 951 C SER A 495 -8.900 9.098 -11.251 1.00 0.00 C ATOM 952 O SER A 495 -9.751 8.485 -10.609 1.00 0.00 O ATOM 953 CB SER A 495 -9.893 10.512 -13.098 1.00 0.00 C ATOM 954 OG SER A 495 -8.988 10.191 -14.150 1.00 0.00 O ATOM 0 H SER A 495 -7.802 11.722 -12.742 1.00 0.00 H new ATOM 0 HA SER A 495 -9.850 10.972 -10.983 1.00 0.00 H new ATOM 0 HB2 SER A 495 -10.704 9.784 -13.081 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.343 11.486 -13.289 1.00 0.00 H new ATOM 0 HG SER A 495 -9.468 10.187 -15.004 1.00 0.00 H new ATOM 960 N SER A 496 -7.682 8.579 -11.445 1.00 0.00 N ATOM 961 CA SER A 496 -7.258 7.295 -10.870 1.00 0.00 C ATOM 962 C SER A 496 -7.041 7.388 -9.351 1.00 0.00 C ATOM 963 O SER A 496 -7.308 6.426 -8.632 1.00 0.00 O ATOM 964 CB SER A 496 -5.960 6.813 -11.531 1.00 0.00 C ATOM 965 OG SER A 496 -6.066 6.722 -12.946 1.00 0.00 O ATOM 0 H SER A 496 -6.962 9.036 -12.005 1.00 0.00 H new ATOM 0 HA SER A 496 -8.061 6.583 -11.061 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.151 7.497 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.692 5.837 -11.127 1.00 0.00 H new ATOM 0 HG SER A 496 -6.543 5.901 -13.186 1.00 0.00 H new ATOM 971 N VAL A 497 -6.631 8.556 -8.838 1.00 0.00 N ATOM 972 CA VAL A 497 -6.508 8.789 -7.388 1.00 0.00 C ATOM 973 C VAL A 497 -7.895 8.964 -6.767 1.00 0.00 C ATOM 974 O VAL A 497 -8.152 8.441 -5.686 1.00 0.00 O ATOM 975 CB VAL A 497 -5.602 9.994 -7.046 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.463 10.150 -5.522 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.202 9.818 -7.656 1.00 0.00 C ATOM 0 H VAL A 497 -6.376 9.362 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.025 7.910 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.069 10.885 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -4.822 11.003 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.447 10.312 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.022 9.246 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.583 10.679 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.744 8.912 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.285 9.739 -8.740 1.00 0.00 H new ATOM 987 N GLN A 498 -8.826 9.623 -7.465 1.00 0.00 N ATOM 988 CA GLN A 498 -10.210 9.733 -7.006 1.00 0.00 C ATOM 989 C GLN A 498 -10.935 8.374 -7.048 1.00 0.00 C ATOM 990 O GLN A 498 -11.702 8.076 -6.135 1.00 0.00 O ATOM 991 CB GLN A 498 -10.936 10.794 -7.852 1.00 0.00 C ATOM 992 CG GLN A 498 -12.245 11.295 -7.213 1.00 0.00 C ATOM 993 CD GLN A 498 -12.051 12.086 -5.911 1.00 0.00 C ATOM 994 OE1 GLN A 498 -10.956 12.492 -5.540 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.107 12.334 -5.164 1.00 0.00 N ATOM 0 H GLN A 498 -8.642 10.089 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.215 10.047 -5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.269 11.642 -8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.157 10.376 -8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -12.769 11.925 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -12.888 10.438 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -14.027 12.004 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.005 12.856 -4.294 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.647 7.512 -8.034 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.146 6.132 -8.072 1.00 0.00 C ATOM 1006 C ALA A 499 -10.606 5.279 -6.912 1.00 0.00 C ATOM 1007 O ALA A 499 -11.350 4.473 -6.349 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.781 5.495 -9.417 1.00 0.00 C ATOM 0 H ALA A 499 -10.058 7.755 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.229 6.167 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -11.151 4.470 -9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.234 6.068 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.698 5.493 -9.537 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.340 5.485 -6.521 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.766 4.884 -5.318 1.00 0.00 C ATOM 1016 C LEU A 500 -9.491 5.386 -4.060 1.00 0.00 C ATOM 1017 O LEU A 500 -9.924 4.572 -3.248 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.244 5.135 -5.308 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.527 4.800 -3.986 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.731 3.349 -3.539 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -5.024 5.058 -4.149 1.00 0.00 C ATOM 0 H LEU A 500 -8.687 6.076 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.913 3.804 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.791 4.547 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.064 6.184 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.962 5.441 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.200 3.179 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.794 3.159 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.343 2.675 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.511 4.823 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.631 4.429 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.860 6.106 -4.399 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.693 6.701 -3.918 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.448 7.306 -2.799 1.00 0.00 C ATOM 1035 C ILE A 501 -11.866 6.715 -2.698 1.00 0.00 C ATOM 1036 O ILE A 501 -12.316 6.382 -1.601 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.461 8.851 -2.930 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.044 9.429 -2.707 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.443 9.489 -1.926 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -8.853 10.871 -3.195 1.00 0.00 C ATOM 0 H ILE A 501 -9.335 7.389 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.943 7.061 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.792 9.091 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.813 9.387 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.322 8.790 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.429 10.573 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.450 9.116 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.145 9.229 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -7.830 11.190 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.047 10.921 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.546 11.528 -2.669 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.549 6.521 -3.828 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.893 5.936 -3.902 1.00 0.00 C ATOM 1054 C ASP A 502 -13.945 4.436 -3.526 1.00 0.00 C ATOM 1055 O ASP A 502 -15.013 3.930 -3.176 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.453 6.177 -5.313 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.934 5.783 -5.444 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.791 6.452 -4.817 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.242 4.835 -6.206 1.00 0.00 O ATOM 0 H ASP A 502 -12.174 6.773 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.513 6.432 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.338 7.230 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.866 5.608 -6.034 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.804 3.734 -3.546 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.671 2.335 -3.132 1.00 0.00 C ATOM 1066 C ALA A 503 -12.097 2.170 -1.711 1.00 0.00 C ATOM 1067 O ALA A 503 -12.174 1.076 -1.145 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.803 1.619 -4.171 1.00 0.00 C ATOM 0 H ALA A 503 -11.922 4.139 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.665 1.889 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.686 0.573 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.281 1.680 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.823 2.094 -4.216 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.542 3.233 -1.121 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.948 3.200 0.214 1.00 0.00 C ATOM 1076 C CYS A 504 -11.991 3.091 1.338 1.00 0.00 C ATOM 1077 O CYS A 504 -13.064 3.703 1.295 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.091 4.456 0.431 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.506 4.327 -0.443 1.00 0.00 S ATOM 0 H CYS A 504 -11.493 4.150 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.333 2.302 0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.633 5.334 0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.911 4.597 1.497 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.709 4.413 -1.724 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.630 2.333 2.374 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.299 2.314 3.675 1.00 0.00 C ATOM 1087 C LEU A 505 -11.831 3.547 4.467 1.00 0.00 C ATOM 1088 O LEU A 505 -10.877 4.219 4.071 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.950 1.008 4.418 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.459 -0.272 3.730 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.880 -1.504 4.440 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.994 -0.356 3.716 1.00 0.00 C ATOM 0 H LEU A 505 -10.837 1.694 2.329 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.382 2.349 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.867 0.943 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.366 1.055 5.424 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.124 -0.242 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.242 -2.409 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.792 -1.475 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.195 -1.504 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.304 -1.276 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.368 -0.352 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.400 0.500 3.178 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.472 3.830 5.598 1.00 0.00 N ATOM 1105 CA GLU A 506 -12.193 5.018 6.414 1.00 0.00 C ATOM 1106 C GLU A 506 -12.276 4.697 7.913 1.00 0.00 C ATOM 1107 O GLU A 506 -13.232 4.065 8.370 1.00 0.00 O ATOM 1108 CB GLU A 506 -13.152 6.154 6.017 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.783 7.494 6.669 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.780 8.591 6.269 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.855 8.697 6.907 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.495 9.363 5.322 1.00 0.00 O ATOM 0 H GLU A 506 -13.208 3.237 5.981 1.00 0.00 H new ATOM 0 HA GLU A 506 -11.172 5.348 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -13.145 6.268 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -14.168 5.883 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.772 7.385 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.776 7.784 6.368 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.637 6.945 5.436 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.141 6.023 4.410 1.00 0.00 C ATOM 1177 C LEU A 511 -7.314 4.734 4.354 1.00 0.00 C ATOM 1178 O LEU A 511 -6.117 4.746 4.642 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.150 6.724 3.036 1.00 0.00 C ATOM 1180 CG LEU A 511 -9.122 7.912 2.889 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.989 8.494 1.474 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.585 7.515 3.144 1.00 0.00 C ATOM 0 HA LEU A 511 -9.160 5.743 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.141 7.078 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.395 5.984 2.274 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.854 8.653 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.673 9.335 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.966 8.835 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.234 7.726 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.225 8.390 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.884 6.748 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.685 7.125 4.157 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.941 3.625 3.952 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.306 2.300 3.879 1.00 0.00 C ATOM 1196 C TYR A 512 -7.769 1.460 2.673 1.00 0.00 C ATOM 1197 O TYR A 512 -8.919 1.541 2.243 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.527 1.513 5.187 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.950 2.145 6.442 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.682 3.122 7.146 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.686 1.745 6.918 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -7.140 3.722 8.297 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -5.144 2.329 8.079 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.868 3.330 8.768 1.00 0.00 C ATOM 1205 OH TYR A 512 -5.349 3.915 9.885 1.00 0.00 O ATOM 0 H TYR A 512 -8.919 3.619 3.663 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.241 2.488 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.599 1.377 5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.093 0.520 5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.663 3.411 6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.129 0.986 6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -7.698 4.484 8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -4.177 2.013 8.443 1.00 0.00 H new ATOM 0 HH TYR A 512 -4.467 3.532 10.075 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.876 0.602 2.173 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.122 -0.423 1.146 1.00 0.00 C ATOM 1217 C LEU A 513 -6.456 -1.743 1.593 1.00 0.00 C ATOM 1218 O LEU A 513 -5.874 -1.783 2.678 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.575 0.097 -0.204 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.358 -0.416 -1.428 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.646 0.406 -1.625 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.503 -0.330 -2.694 1.00 0.00 C ATOM 0 H LEU A 513 -5.906 0.601 2.489 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.186 -0.622 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.598 1.187 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.531 -0.200 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.619 -1.459 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.188 0.031 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.274 0.316 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.389 1.453 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -7.076 -0.697 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.216 0.707 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.607 -0.938 -2.570 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.503 -2.813 0.789 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.916 -4.127 1.115 1.00 0.00 C ATOM 1236 C CYS A 514 -5.056 -4.699 -0.033 1.00 0.00 C ATOM 1237 O CYS A 514 -5.376 -4.495 -1.208 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.038 -5.100 1.518 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.755 -4.618 3.118 1.00 0.00 S ATOM 0 H CYS A 514 -6.958 -2.793 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.234 -3.993 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -7.814 -5.107 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.643 -6.114 1.581 1.00 0.00 H new ATOM 0 HG CYS A 514 -7.254 -3.478 3.493 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.980 -5.415 0.321 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.924 -5.942 -0.580 1.00 0.00 C ATOM 1247 C VAL A 515 -2.323 -7.261 -0.042 1.00 0.00 C ATOM 1248 O VAL A 515 -2.617 -7.654 1.083 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.798 -4.898 -0.816 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.320 -3.595 -1.442 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.023 -4.558 0.469 1.00 0.00 C ATOM 0 H VAL A 515 -3.805 -5.660 1.296 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.403 -6.149 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.118 -5.379 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.491 -2.902 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.780 -3.813 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.060 -3.144 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.249 -3.824 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.709 -4.147 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.561 -5.462 0.865 1.00 0.00 H new ATOM 1261 N SER A 516 -1.463 -7.936 -0.815 1.00 0.00 N ATOM 1262 CA SER A 516 -0.869 -9.249 -0.473 1.00 0.00 C ATOM 1263 C SER A 516 0.544 -9.438 -1.071 1.00 0.00 C ATOM 1264 O SER A 516 0.929 -8.763 -2.026 1.00 0.00 O ATOM 1265 CB SER A 516 -1.769 -10.393 -0.976 1.00 0.00 C ATOM 1266 OG SER A 516 -2.995 -10.489 -0.261 1.00 0.00 O ATOM 0 H SER A 516 -1.149 -7.582 -1.719 1.00 0.00 H new ATOM 0 HA SER A 516 -0.787 -9.274 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.982 -10.242 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.230 -11.337 -0.891 1.00 0.00 H new ATOM 0 HG SER A 516 -3.527 -11.229 -0.622 1.00 0.00 H new ATOM 1272 N SER A 517 1.314 -10.388 -0.535 1.00 0.00 N ATOM 1273 CA SER A 517 2.695 -10.725 -0.926 1.00 0.00 C ATOM 1274 C SER A 517 2.917 -12.261 -0.939 1.00 0.00 C ATOM 1275 O SER A 517 1.947 -13.012 -0.757 1.00 0.00 O ATOM 1276 CB SER A 517 3.645 -10.014 0.055 1.00 0.00 C ATOM 1277 OG SER A 517 3.759 -10.738 1.276 1.00 0.00 O ATOM 0 H SER A 517 0.977 -10.978 0.226 1.00 0.00 H new ATOM 0 HA SER A 517 2.896 -10.385 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.629 -9.907 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.277 -9.008 0.258 1.00 0.00 H new ATOM 0 HG SER A 517 4.369 -10.266 1.880 1.00 0.00 H new ATOM 1283 N PRO A 518 4.154 -12.780 -1.121 1.00 0.00 N ATOM 1284 CA PRO A 518 4.448 -14.210 -0.998 1.00 0.00 C ATOM 1285 C PRO A 518 4.341 -14.736 0.444 1.00 0.00 C ATOM 1286 O PRO A 518 4.319 -15.952 0.638 1.00 0.00 O ATOM 1287 CB PRO A 518 5.878 -14.400 -1.531 1.00 0.00 C ATOM 1288 CG PRO A 518 6.167 -13.120 -2.311 1.00 0.00 C ATOM 1289 CD PRO A 518 5.367 -12.088 -1.527 1.00 0.00 C ATOM 0 HA PRO A 518 3.711 -14.780 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.590 -14.539 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.950 -15.280 -2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 518 7.231 -12.884 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.838 -13.190 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.925 -11.730 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 518 5.138 -11.217 -2.141 1.00 0.00 H new ATOM 1297 N THR A 519 4.283 -13.841 1.447 1.00 0.00 N ATOM 1298 CA THR A 519 4.395 -14.167 2.879 1.00 0.00 C ATOM 1299 C THR A 519 3.246 -13.629 3.726 1.00 0.00 C ATOM 1300 O THR A 519 2.934 -14.231 4.753 1.00 0.00 O ATOM 1301 CB THR A 519 5.728 -13.645 3.436 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.843 -12.269 3.148 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.927 -14.374 2.824 1.00 0.00 C ATOM 0 H THR A 519 4.153 -12.843 1.278 1.00 0.00 H new ATOM 0 HA THR A 519 4.349 -15.254 2.944 1.00 0.00 H new ATOM 0 HB THR A 519 5.731 -13.822 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.782 -11.997 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.850 -13.974 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.858 -15.439 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.929 -14.229 1.744 1.00 0.00 H new ATOM 1311 N ILE A 520 2.575 -12.554 3.297 1.00 0.00 N ATOM 1312 CA ILE A 520 1.470 -11.894 4.012 1.00 0.00 C ATOM 1313 C ILE A 520 0.259 -11.768 3.082 1.00 0.00 C ATOM 1314 O ILE A 520 0.388 -11.362 1.926 1.00 0.00 O ATOM 1315 CB ILE A 520 1.898 -10.495 4.528 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.273 -10.419 5.236 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.811 -9.923 5.455 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.398 -11.178 6.563 1.00 0.00 C ATOM 0 H ILE A 520 2.793 -12.101 2.410 1.00 0.00 H new ATOM 0 HA ILE A 520 1.202 -12.503 4.876 1.00 0.00 H new ATOM 0 HB ILE A 520 2.015 -9.897 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 520 4.031 -10.799 4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.506 -9.370 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.119 -8.941 5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.125 -9.832 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.669 -10.591 6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.404 -11.050 6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.672 -10.786 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.206 -12.238 6.395 1.00 0.00 H new ATOM 1330 N LYS A 521 -0.928 -12.102 3.587 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.168 -12.192 2.808 1.00 0.00 C ATOM 1332 C LYS A 521 -3.266 -11.287 3.399 1.00 0.00 C ATOM 1333 O LYS A 521 -3.488 -11.292 4.613 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.620 -13.665 2.792 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.616 -14.673 2.200 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.217 -14.388 0.745 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.301 -15.510 0.241 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.208 -15.230 -1.125 1.00 0.00 N ATOM 0 H LYS A 521 -1.060 -12.324 4.574 1.00 0.00 H new ATOM 0 HA LYS A 521 -1.987 -11.846 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.847 -13.966 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.549 -13.733 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.717 -14.677 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.046 -15.673 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.106 -14.320 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.706 -13.428 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.539 -15.629 0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.847 -16.453 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.696 -16.071 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.588 -14.991 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.873 -14.431 -1.091 1.00 0.00 H new ATOM 1352 N ASP A 522 -3.940 -10.512 2.540 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.077 -9.620 2.898 1.00 0.00 C ATOM 1354 C ASP A 522 -4.667 -8.508 3.894 1.00 0.00 C ATOM 1355 O ASP A 522 -5.455 -8.053 4.723 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.277 -10.470 3.371 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.603 -9.687 3.416 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.944 -9.017 2.411 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.330 -9.794 4.434 1.00 0.00 O ATOM 0 H ASP A 522 -3.712 -10.479 1.546 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.393 -9.078 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.391 -11.325 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.063 -10.865 4.364 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.406 -8.065 3.820 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.856 -6.971 4.624 1.00 0.00 C ATOM 1366 C LYS A 523 -3.599 -5.647 4.334 1.00 0.00 C ATOM 1367 O LYS A 523 -3.624 -5.238 3.163 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.354 -6.833 4.297 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.631 -5.751 5.117 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.464 -6.101 6.604 1.00 0.00 C ATOM 1371 CE LYS A 523 0.349 -5.032 7.351 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.420 -3.779 7.583 1.00 0.00 N ATOM 0 H LYS A 523 -2.722 -8.470 3.181 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.987 -7.193 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.866 -7.792 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.243 -6.605 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.353 -5.577 4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.185 -4.816 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.446 -6.201 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.032 -7.067 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.676 -5.435 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.248 -4.801 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.231 -2.968 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -1.123 -3.658 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.906 -3.835 8.501 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.150 -4.947 5.348 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.674 -3.598 5.193 1.00 0.00 C ATOM 1388 C PRO A 524 -3.513 -2.600 5.140 1.00 0.00 C ATOM 1389 O PRO A 524 -2.507 -2.769 5.830 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.598 -3.336 6.392 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.627 -4.658 7.164 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.345 -5.362 6.725 1.00 0.00 C ATOM 0 HA PRO A 524 -5.236 -3.484 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.219 -2.524 7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.597 -3.047 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -5.644 -4.492 8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.511 -5.246 6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.500 -5.072 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.441 -6.445 6.802 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.661 -1.558 4.327 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.642 -0.531 4.066 1.00 0.00 C ATOM 1402 C VAL A 525 -3.267 0.860 4.102 1.00 0.00 C ATOM 1403 O VAL A 525 -4.345 1.064 3.548 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.914 -0.757 2.719 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.888 -1.884 2.877 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.836 -1.072 1.521 1.00 0.00 C ATOM 0 H VAL A 525 -4.525 -1.394 3.810 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.895 -0.610 4.856 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.437 0.194 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.375 -2.044 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.161 -1.610 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.397 -2.801 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.232 -1.214 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.401 -1.982 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.527 -0.243 1.366 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.608 1.804 4.776 1.00 0.00 N ATOM 1417 CA GLN A 526 -3.074 3.185 4.902 1.00 0.00 C ATOM 1418 C GLN A 526 -2.764 3.947 3.611 1.00 0.00 C ATOM 1419 O GLN A 526 -1.640 3.902 3.115 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.416 3.868 6.112 1.00 0.00 C ATOM 1421 CG GLN A 526 -3.198 5.132 6.521 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.514 5.954 7.614 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -2.340 7.161 7.496 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.102 5.361 8.716 1.00 0.00 N ATOM 0 H GLN A 526 -1.725 1.628 5.255 1.00 0.00 H new ATOM 0 HA GLN A 526 -4.152 3.187 5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.376 3.173 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.387 4.134 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -3.340 5.760 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -4.189 4.839 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -2.236 4.357 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -1.649 5.906 9.449 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.756 4.661 3.081 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.683 5.397 1.815 1.00 0.00 C ATOM 1435 C ILE A 527 -3.701 6.897 2.120 1.00 0.00 C ATOM 1436 O ILE A 527 -4.577 7.380 2.841 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.864 4.988 0.902 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -5.007 3.459 0.720 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.755 5.657 -0.478 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.769 2.732 0.183 1.00 0.00 C ATOM 0 H ILE A 527 -4.665 4.747 3.535 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.760 5.158 1.286 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.760 5.337 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.273 3.021 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.839 3.269 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.598 5.351 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.766 6.740 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.824 5.354 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.982 1.667 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.509 3.132 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.934 2.880 0.868 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.729 7.633 1.576 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.483 9.047 1.881 1.00 0.00 C ATOM 1454 C ARG A 528 -2.214 9.830 0.580 1.00 0.00 C ATOM 1455 O ARG A 528 -1.049 9.988 0.198 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.310 9.147 2.877 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.621 8.576 4.271 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.464 8.825 5.252 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.435 10.221 5.725 1.00 0.00 N ATOM 1460 CZ ARG A 528 -1.134 10.728 6.735 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -1.942 9.996 7.475 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -1.024 12.008 7.021 1.00 0.00 N ATOM 0 H ARG A 528 -2.073 7.253 0.893 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.362 9.495 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.450 8.620 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.023 10.193 2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.532 9.033 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.810 7.505 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -0.561 8.154 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 528 0.482 8.587 4.766 1.00 0.00 H new ATOM 0 HE ARG A 528 0.183 10.862 5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -2.049 9.000 7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -2.461 10.425 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -0.406 12.603 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -1.557 12.405 7.795 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.268 10.295 -0.125 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.138 11.114 -1.329 1.00 0.00 C ATOM 1478 C PRO A 529 -2.373 12.406 -1.033 1.00 0.00 C ATOM 1479 O PRO A 529 -2.633 13.069 -0.029 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.567 11.389 -1.811 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.376 10.239 -1.213 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.675 10.006 0.122 1.00 0.00 C ATOM 0 HA PRO A 529 -2.564 10.604 -2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -4.928 12.357 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.628 11.399 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.425 10.506 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.350 9.352 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.080 10.657 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.811 8.980 0.464 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.412 12.750 -1.894 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.493 13.865 -1.662 1.00 0.00 C ATOM 1492 C TRP A 530 -1.120 15.238 -1.972 1.00 0.00 C ATOM 1493 O TRP A 530 -2.028 15.364 -2.798 1.00 0.00 O ATOM 1494 CB TRP A 530 0.795 13.619 -2.459 1.00 0.00 C ATOM 1495 CG TRP A 530 1.931 14.536 -2.127 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.255 15.666 -2.793 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.901 14.424 -1.039 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.346 16.264 -2.195 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.791 15.537 -1.111 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.129 13.484 -0.010 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.854 15.708 -0.213 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.195 13.644 0.896 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.056 14.752 0.797 1.00 0.00 C ATOM 0 H TRP A 530 -1.250 12.261 -2.774 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.256 13.903 -0.599 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.117 12.591 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.570 13.714 -3.521 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.738 16.044 -3.662 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.770 17.135 -2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.476 12.629 0.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.509 16.563 -0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.353 12.910 1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.871 14.868 1.496 1.00 0.00 H new