USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.62 F(o=-4.5!,f=-2.6) USER MOD Single : A 447 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0942) USER MOD Single : A 454 CYS SG : rot 180:sc= 0.0601 USER MOD Single : A 455 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 462 GLN : amide:sc= -0.785 K(o=-0.78,f=-1.7) USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 487 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.6!) USER MOD Single : A 489 CYS SG : rot 140:sc= -3.19! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.257 -11.828 5.646 1.00 0.00 N ATOM 35 CA LYS A 429 9.940 -12.922 4.897 1.00 0.00 C ATOM 36 C LYS A 429 8.894 -13.862 4.291 1.00 0.00 C ATOM 37 O LYS A 429 7.925 -14.220 4.928 1.00 0.00 O ATOM 38 CB LYS A 429 10.842 -13.704 5.852 1.00 0.00 C ATOM 39 CG LYS A 429 11.530 -14.841 5.095 1.00 0.00 C ATOM 40 CD LYS A 429 12.431 -15.617 6.057 1.00 0.00 C ATOM 41 CE LYS A 429 11.567 -16.355 7.082 1.00 0.00 C ATOM 42 NZ LYS A 429 11.388 -17.771 6.653 1.00 0.00 N ATOM 0 HA LYS A 429 10.543 -12.493 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.589 -13.040 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 429 10.253 -14.107 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 429 10.785 -15.507 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 429 12.119 -14.440 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.045 -16.328 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 429 13.113 -14.934 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 429 12.038 -16.318 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 429 10.597 -15.867 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 10.801 -18.273 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 10.921 -17.796 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 12.317 -18.233 6.586 1.00 0.00 H new ATOM 56 N PRO A 430 9.107 -14.265 3.028 1.00 0.00 N ATOM 57 CA PRO A 430 8.190 -15.165 2.311 1.00 0.00 C ATOM 58 C PRO A 430 8.253 -16.603 2.841 1.00 0.00 C ATOM 59 O PRO A 430 9.307 -17.106 3.177 1.00 0.00 O ATOM 60 CB PRO A 430 8.700 -15.118 0.871 1.00 0.00 C ATOM 61 CG PRO A 430 10.141 -14.749 0.989 1.00 0.00 C ATOM 62 CD PRO A 430 10.260 -13.871 2.201 1.00 0.00 C ATOM 0 HA PRO A 430 7.150 -14.858 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.578 -16.082 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.151 -14.385 0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.762 -15.639 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.481 -14.225 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.203 -14.034 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.221 -12.814 1.936 1.00 0.00 H new ATOM 70 N ALA A 431 7.128 -17.263 2.921 1.00 0.00 N ATOM 71 CA ALA A 431 7.114 -18.664 3.433 1.00 0.00 C ATOM 72 C ALA A 431 7.692 -19.608 2.376 1.00 0.00 C ATOM 73 O ALA A 431 7.710 -19.307 1.200 1.00 0.00 O ATOM 74 CB ALA A 431 5.676 -19.077 3.749 1.00 0.00 C ATOM 0 H ALA A 431 6.217 -16.891 2.653 1.00 0.00 H new ATOM 0 HA ALA A 431 7.719 -18.721 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.665 -20.101 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.264 -18.410 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 431 5.072 -19.015 2.843 1.00 0.00 H new ATOM 80 N ASP A 432 8.171 -20.748 2.795 1.00 0.00 N ATOM 81 CA ASP A 432 8.757 -21.719 1.830 1.00 0.00 C ATOM 82 C ASP A 432 7.740 -22.054 0.735 1.00 0.00 C ATOM 83 O ASP A 432 8.102 -22.327 -0.391 1.00 0.00 O ATOM 84 CB ASP A 432 9.137 -22.999 2.578 1.00 0.00 C ATOM 85 CG ASP A 432 10.352 -22.729 3.467 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.936 -21.667 3.331 1.00 0.00 O ATOM 87 OD2 ASP A 432 10.675 -23.588 4.272 1.00 0.00 O ATOM 0 H ASP A 432 8.181 -21.049 3.770 1.00 0.00 H new ATOM 0 HA ASP A 432 9.641 -21.279 1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 432 8.298 -23.341 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.362 -23.795 1.868 1.00 0.00 H new ATOM 92 N ASP A 433 6.473 -22.041 1.050 1.00 0.00 N ATOM 93 CA ASP A 433 5.452 -22.367 0.012 1.00 0.00 C ATOM 94 C ASP A 433 5.610 -21.407 -1.167 1.00 0.00 C ATOM 95 O ASP A 433 5.437 -21.777 -2.311 1.00 0.00 O ATOM 96 CB ASP A 433 4.046 -22.230 0.601 1.00 0.00 C ATOM 97 CG ASP A 433 3.934 -23.086 1.863 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.772 -23.954 2.042 1.00 0.00 O ATOM 99 OD2 ASP A 433 3.010 -22.862 2.627 1.00 0.00 O ATOM 0 H ASP A 433 6.102 -21.820 1.974 1.00 0.00 H new ATOM 0 HA ASP A 433 5.596 -23.393 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.840 -21.186 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 433 3.302 -22.544 -0.131 1.00 0.00 H new ATOM 104 N LEU A 434 5.938 -20.177 -0.893 1.00 0.00 N ATOM 105 CA LEU A 434 6.110 -19.185 -1.991 1.00 0.00 C ATOM 106 C LEU A 434 7.484 -19.372 -2.632 1.00 0.00 C ATOM 107 O LEU A 434 7.619 -19.445 -3.837 1.00 0.00 O ATOM 108 CB LEU A 434 6.011 -17.775 -1.413 1.00 0.00 C ATOM 109 CG LEU A 434 5.691 -16.782 -2.530 1.00 0.00 C ATOM 110 CD1 LEU A 434 4.183 -16.761 -2.783 1.00 0.00 C ATOM 111 CD2 LEU A 434 6.159 -15.385 -2.115 1.00 0.00 C ATOM 0 H LEU A 434 6.095 -19.814 0.047 1.00 0.00 H new ATOM 0 HA LEU A 434 5.334 -19.331 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 434 5.236 -17.739 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.949 -17.503 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 434 6.205 -17.084 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 434 3.958 -16.052 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 434 3.850 -17.756 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 434 3.665 -16.460 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 434 5.932 -14.674 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 434 5.644 -15.085 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.234 -15.399 -1.937 1.00 0.00 H new ATOM 123 N LEU A 435 8.504 -19.445 -1.827 1.00 0.00 N ATOM 124 CA LEU A 435 9.879 -19.622 -2.371 1.00 0.00 C ATOM 125 C LEU A 435 9.941 -20.895 -3.215 1.00 0.00 C ATOM 126 O LEU A 435 10.539 -20.924 -4.273 1.00 0.00 O ATOM 127 CB LEU A 435 10.872 -19.736 -1.214 1.00 0.00 C ATOM 128 CG LEU A 435 11.052 -18.367 -0.558 1.00 0.00 C ATOM 129 CD1 LEU A 435 11.193 -18.541 0.956 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.309 -17.698 -1.115 1.00 0.00 C ATOM 0 H LEU A 435 8.445 -19.390 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 435 10.133 -18.763 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 435 10.511 -20.457 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.831 -20.105 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 435 10.184 -17.744 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 435 11.321 -17.565 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 435 10.297 -19.018 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 435 12.061 -19.164 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 435 12.439 -16.722 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 435 13.178 -18.321 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 435 12.208 -17.574 -2.193 1.00 0.00 H new ATOM 142 N ASN A 436 9.336 -21.949 -2.751 1.00 0.00 N ATOM 143 CA ASN A 436 9.363 -23.226 -3.518 1.00 0.00 C ATOM 144 C ASN A 436 8.253 -23.222 -4.570 1.00 0.00 C ATOM 145 O ASN A 436 8.094 -24.164 -5.321 1.00 0.00 O ATOM 146 CB ASN A 436 9.155 -24.397 -2.557 1.00 0.00 C ATOM 147 CG ASN A 436 10.211 -24.338 -1.451 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.847 -24.032 -0.237 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 11.378 -24.573 -1.697 1.00 0.00 N flip ATOM 0 H ASN A 436 8.822 -21.983 -1.871 1.00 0.00 H new ATOM 0 HA ASN A 436 10.327 -23.329 -4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 436 8.156 -24.354 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 436 9.228 -25.342 -3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.661 -24.812 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 436 12.075 -24.531 -0.953 1.00 0.00 H new ATOM 156 N LEU A 437 7.488 -22.167 -4.638 1.00 0.00 N ATOM 157 CA LEU A 437 6.396 -22.109 -5.651 1.00 0.00 C ATOM 158 C LEU A 437 7.013 -21.979 -7.046 1.00 0.00 C ATOM 159 O LEU A 437 7.821 -21.109 -7.299 1.00 0.00 O ATOM 160 CB LEU A 437 5.493 -20.904 -5.373 1.00 0.00 C ATOM 161 CG LEU A 437 4.230 -20.998 -6.235 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.703 -22.436 -6.226 1.00 0.00 C ATOM 163 CD2 LEU A 437 3.155 -20.062 -5.676 1.00 0.00 C ATOM 0 H LEU A 437 7.571 -21.346 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 437 5.799 -23.020 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 437 5.223 -20.875 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 437 6.027 -19.979 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 437 4.473 -20.707 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.805 -22.498 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 437 4.464 -23.105 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 437 3.465 -22.730 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.257 -20.130 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.917 -20.352 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.524 -19.037 -5.686 1.00 0.00 H new ATOM 175 N GLU A 438 6.642 -22.843 -7.951 1.00 0.00 N ATOM 176 CA GLU A 438 7.216 -22.774 -9.325 1.00 0.00 C ATOM 177 C GLU A 438 6.889 -21.420 -9.962 1.00 0.00 C ATOM 178 O GLU A 438 7.573 -20.967 -10.859 1.00 0.00 O ATOM 179 CB GLU A 438 6.620 -23.894 -10.180 1.00 0.00 C ATOM 180 CG GLU A 438 7.171 -23.794 -11.603 1.00 0.00 C ATOM 181 CD GLU A 438 6.487 -24.837 -12.489 1.00 0.00 C ATOM 182 OE1 GLU A 438 5.575 -25.488 -12.006 1.00 0.00 O ATOM 183 OE2 GLU A 438 6.887 -24.968 -13.634 1.00 0.00 O ATOM 0 H GLU A 438 5.967 -23.593 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 438 8.298 -22.890 -9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 438 6.866 -24.865 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 438 5.533 -23.818 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 438 7.000 -22.794 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 438 8.249 -23.955 -11.599 1.00 0.00 H new ATOM 190 N GLY A 439 5.851 -20.770 -9.512 1.00 0.00 N ATOM 191 CA GLY A 439 5.486 -19.448 -10.100 1.00 0.00 C ATOM 192 C GLY A 439 6.290 -18.337 -9.419 1.00 0.00 C ATOM 193 O GLY A 439 6.458 -17.261 -9.958 1.00 0.00 O ATOM 0 H GLY A 439 5.240 -21.096 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 439 5.685 -19.449 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.419 -19.266 -9.974 1.00 0.00 H new ATOM 197 N VAL A 440 6.786 -18.585 -8.239 1.00 0.00 N ATOM 198 CA VAL A 440 7.573 -17.536 -7.528 1.00 0.00 C ATOM 199 C VAL A 440 8.981 -18.057 -7.238 1.00 0.00 C ATOM 200 O VAL A 440 9.166 -19.013 -6.512 1.00 0.00 O ATOM 201 CB VAL A 440 6.877 -17.179 -6.213 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.669 -16.084 -5.494 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.465 -16.671 -6.509 1.00 0.00 C ATOM 0 H VAL A 440 6.681 -19.466 -7.736 1.00 0.00 H new ATOM 0 HA VAL A 440 7.641 -16.647 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 440 6.824 -18.064 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 440 7.172 -15.831 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.677 -16.442 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.723 -15.198 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.967 -16.416 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.522 -15.786 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.899 -17.449 -7.022 1.00 0.00 H new ATOM 213 N ASP A 441 9.977 -17.427 -7.797 1.00 0.00 N ATOM 214 CA ASP A 441 11.373 -17.876 -7.552 1.00 0.00 C ATOM 215 C ASP A 441 11.808 -17.399 -6.168 1.00 0.00 C ATOM 216 O ASP A 441 11.094 -16.680 -5.498 1.00 0.00 O ATOM 217 CB ASP A 441 12.299 -17.273 -8.613 1.00 0.00 C ATOM 218 CG ASP A 441 11.859 -17.735 -10.003 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.130 -18.710 -10.079 1.00 0.00 O ATOM 220 OD2 ASP A 441 12.258 -17.105 -10.969 1.00 0.00 O ATOM 0 H ASP A 441 9.883 -16.620 -8.413 1.00 0.00 H new ATOM 0 HA ASP A 441 11.427 -18.963 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.274 -16.185 -8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.329 -17.578 -8.427 1.00 0.00 H new ATOM 225 N ARG A 442 12.972 -17.787 -5.733 1.00 0.00 N ATOM 226 CA ARG A 442 13.443 -17.348 -4.393 1.00 0.00 C ATOM 227 C ARG A 442 13.464 -15.821 -4.350 1.00 0.00 C ATOM 228 O ARG A 442 13.058 -15.207 -3.384 1.00 0.00 O ATOM 229 CB ARG A 442 14.852 -17.890 -4.149 1.00 0.00 C ATOM 230 CG ARG A 442 15.421 -17.283 -2.866 1.00 0.00 C ATOM 231 CD ARG A 442 16.837 -17.817 -2.640 1.00 0.00 C ATOM 232 NE ARG A 442 17.323 -17.395 -1.296 1.00 0.00 N ATOM 233 CZ ARG A 442 18.318 -16.556 -1.195 1.00 0.00 C ATOM 234 NH1 ARG A 442 18.130 -15.381 -0.662 1.00 0.00 N ATOM 235 NH2 ARG A 442 19.503 -16.894 -1.628 1.00 0.00 N ATOM 0 H ARG A 442 13.617 -18.388 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 442 12.774 -17.727 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 442 14.825 -18.977 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.497 -17.649 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.437 -16.196 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.785 -17.535 -2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 442 16.842 -18.904 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.506 -17.441 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 442 16.878 -17.762 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 442 17.205 -15.117 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 442 18.908 -14.726 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 442 19.651 -17.813 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 442 20.281 -16.239 -1.549 1.00 0.00 H new ATOM 249 N ASP A 443 13.940 -15.209 -5.396 1.00 0.00 N ATOM 250 CA ASP A 443 14.000 -13.720 -5.434 1.00 0.00 C ATOM 251 C ASP A 443 12.583 -13.141 -5.476 1.00 0.00 C ATOM 252 O ASP A 443 12.260 -12.220 -4.751 1.00 0.00 O ATOM 253 CB ASP A 443 14.763 -13.276 -6.682 1.00 0.00 C ATOM 254 CG ASP A 443 16.236 -13.667 -6.547 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.635 -14.028 -5.452 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.940 -13.601 -7.541 1.00 0.00 O ATOM 0 H ASP A 443 14.292 -15.677 -6.231 1.00 0.00 H new ATOM 0 HA ASP A 443 14.509 -13.359 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 443 14.332 -13.741 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.673 -12.198 -6.812 1.00 0.00 H new ATOM 261 N LEU A 444 11.732 -13.666 -6.316 1.00 0.00 N ATOM 262 CA LEU A 444 10.345 -13.132 -6.394 1.00 0.00 C ATOM 263 C LEU A 444 9.697 -13.217 -5.013 1.00 0.00 C ATOM 264 O LEU A 444 8.919 -12.368 -4.623 1.00 0.00 O ATOM 265 CB LEU A 444 9.535 -13.958 -7.396 1.00 0.00 C ATOM 266 CG LEU A 444 8.420 -13.094 -7.987 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.902 -13.745 -9.272 1.00 0.00 C ATOM 268 CD2 LEU A 444 7.279 -12.980 -6.975 1.00 0.00 C ATOM 0 H LEU A 444 11.938 -14.439 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 444 10.368 -12.093 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 444 10.185 -14.325 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 444 9.110 -14.832 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 444 8.806 -12.100 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 444 7.107 -13.131 -9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.717 -13.830 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.513 -14.738 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 444 6.482 -12.365 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.891 -13.974 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.650 -12.520 -6.059 1.00 0.00 H new ATOM 280 N ALA A 445 10.018 -14.235 -4.267 1.00 0.00 N ATOM 281 CA ALA A 445 9.431 -14.382 -2.908 1.00 0.00 C ATOM 282 C ALA A 445 9.725 -13.122 -2.094 1.00 0.00 C ATOM 283 O ALA A 445 8.948 -12.719 -1.252 1.00 0.00 O ATOM 284 CB ALA A 445 10.052 -15.595 -2.212 1.00 0.00 C ATOM 0 H ALA A 445 10.664 -14.975 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 445 8.353 -14.524 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.622 -15.703 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.847 -16.493 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.130 -15.454 -2.129 1.00 0.00 H new ATOM 290 N PHE A 446 10.837 -12.489 -2.346 1.00 0.00 N ATOM 291 CA PHE A 446 11.175 -11.251 -1.592 1.00 0.00 C ATOM 292 C PHE A 446 10.316 -10.100 -2.117 1.00 0.00 C ATOM 293 O PHE A 446 9.739 -9.345 -1.360 1.00 0.00 O ATOM 294 CB PHE A 446 12.655 -10.918 -1.787 1.00 0.00 C ATOM 295 CG PHE A 446 13.498 -11.938 -1.059 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.746 -11.792 0.311 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.032 -13.031 -1.754 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.526 -12.739 0.986 1.00 0.00 C ATOM 299 CE2 PHE A 446 14.812 -13.977 -1.079 1.00 0.00 C ATOM 300 CZ PHE A 446 15.059 -13.831 0.291 1.00 0.00 C ATOM 0 H PHE A 446 11.526 -12.776 -3.041 1.00 0.00 H new ATOM 0 HA PHE A 446 10.981 -11.402 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.902 -10.917 -2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.867 -9.918 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.336 -10.949 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 446 13.842 -13.144 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.716 -12.627 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.223 -14.820 -1.615 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.661 -14.561 0.812 1.00 0.00 H new ATOM 310 N LYS A 447 10.220 -9.968 -3.413 1.00 0.00 N ATOM 311 CA LYS A 447 9.390 -8.875 -3.992 1.00 0.00 C ATOM 312 C LYS A 447 7.948 -9.033 -3.510 1.00 0.00 C ATOM 313 O LYS A 447 7.231 -8.068 -3.332 1.00 0.00 O ATOM 314 CB LYS A 447 9.431 -8.964 -5.519 1.00 0.00 C ATOM 315 CG LYS A 447 8.945 -7.646 -6.124 1.00 0.00 C ATOM 316 CD LYS A 447 9.104 -7.701 -7.645 1.00 0.00 C ATOM 317 CE LYS A 447 8.889 -6.306 -8.234 1.00 0.00 C ATOM 318 NZ LYS A 447 10.111 -5.483 -8.018 1.00 0.00 N ATOM 0 H LYS A 447 10.681 -10.570 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 447 9.778 -7.907 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.446 -9.177 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.803 -9.786 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.901 -7.475 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 447 9.517 -6.812 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 447 10.098 -8.067 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.385 -8.401 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 447 8.670 -6.379 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 447 8.029 -5.830 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 10.057 -4.623 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 10.179 -5.219 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 10.952 -6.032 -8.289 1.00 0.00 H new ATOM 332 N LEU A 448 7.519 -10.247 -3.293 1.00 0.00 N ATOM 333 CA LEU A 448 6.129 -10.476 -2.817 1.00 0.00 C ATOM 334 C LEU A 448 6.097 -10.352 -1.292 1.00 0.00 C ATOM 335 O LEU A 448 5.189 -9.780 -0.722 1.00 0.00 O ATOM 336 CB LEU A 448 5.674 -11.880 -3.226 1.00 0.00 C ATOM 337 CG LEU A 448 4.220 -12.091 -2.801 1.00 0.00 C ATOM 338 CD1 LEU A 448 3.351 -12.304 -4.041 1.00 0.00 C ATOM 339 CD2 LEU A 448 4.124 -13.322 -1.893 1.00 0.00 C ATOM 0 H LEU A 448 8.075 -11.092 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 448 5.461 -9.738 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.770 -12.005 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.312 -12.631 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 448 3.871 -11.212 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 448 2.315 -12.454 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.417 -11.428 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.701 -13.182 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 448 3.087 -13.471 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 448 4.475 -14.201 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 448 4.742 -13.170 -1.008 1.00 0.00 H new ATOM 351 N ALA A 449 7.089 -10.881 -0.630 1.00 0.00 N ATOM 352 CA ALA A 449 7.126 -10.793 0.858 1.00 0.00 C ATOM 353 C ALA A 449 7.308 -9.334 1.275 1.00 0.00 C ATOM 354 O ALA A 449 6.778 -8.892 2.275 1.00 0.00 O ATOM 355 CB ALA A 449 8.294 -11.626 1.390 1.00 0.00 C ATOM 0 H ALA A 449 7.876 -11.371 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 449 6.192 -11.176 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.321 -11.562 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.165 -12.666 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.229 -11.244 0.981 1.00 0.00 H new ATOM 361 N ALA A 450 8.051 -8.581 0.513 1.00 0.00 N ATOM 362 CA ALA A 450 8.263 -7.148 0.862 1.00 0.00 C ATOM 363 C ALA A 450 6.937 -6.397 0.733 1.00 0.00 C ATOM 364 O ALA A 450 6.812 -5.260 1.140 1.00 0.00 O ATOM 365 CB ALA A 450 9.292 -6.535 -0.091 1.00 0.00 C ATOM 0 H ALA A 450 8.521 -8.895 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 450 8.630 -7.072 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.446 -5.487 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.236 -7.073 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.928 -6.608 -1.116 1.00 0.00 H new ATOM 371 N ARG A 451 5.947 -7.027 0.164 1.00 0.00 N ATOM 372 CA ARG A 451 4.629 -6.352 0.001 1.00 0.00 C ATOM 373 C ARG A 451 3.654 -6.860 1.066 1.00 0.00 C ATOM 374 O ARG A 451 2.458 -6.673 0.965 1.00 0.00 O ATOM 375 CB ARG A 451 4.072 -6.658 -1.391 1.00 0.00 C ATOM 376 CG ARG A 451 4.865 -5.872 -2.437 1.00 0.00 C ATOM 377 CD ARG A 451 4.164 -5.981 -3.792 1.00 0.00 C ATOM 378 NE ARG A 451 2.889 -5.212 -3.754 1.00 0.00 N ATOM 379 CZ ARG A 451 2.659 -4.282 -4.639 1.00 0.00 C ATOM 380 NH1 ARG A 451 3.634 -3.514 -5.046 1.00 0.00 N ATOM 381 NH2 ARG A 451 1.456 -4.120 -5.119 1.00 0.00 N ATOM 0 H ARG A 451 5.994 -7.980 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 451 4.756 -5.275 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.138 -7.727 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.017 -6.389 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 451 4.945 -4.826 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 451 5.881 -6.261 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.811 -5.595 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 451 3.964 -7.026 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 451 2.194 -5.413 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 451 4.574 -3.642 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 451 3.455 -2.786 -5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 451 0.695 -4.721 -4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 451 1.277 -3.392 -5.811 1.00 0.00 H new ATOM 395 N GLY A 452 4.153 -7.501 2.087 1.00 0.00 N ATOM 396 CA GLY A 452 3.253 -8.019 3.156 1.00 0.00 C ATOM 397 C GLY A 452 2.820 -9.445 2.810 1.00 0.00 C ATOM 398 O GLY A 452 2.423 -10.209 3.666 1.00 0.00 O ATOM 0 H GLY A 452 5.146 -7.689 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.767 -8.007 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.379 -7.375 3.254 1.00 0.00 H new ATOM 402 N VAL A 453 2.899 -9.811 1.560 1.00 0.00 N ATOM 403 CA VAL A 453 2.498 -11.188 1.158 1.00 0.00 C ATOM 404 C VAL A 453 3.726 -12.095 1.201 1.00 0.00 C ATOM 405 O VAL A 453 4.566 -12.061 0.325 1.00 0.00 O ATOM 406 CB VAL A 453 1.930 -11.160 -0.262 1.00 0.00 C ATOM 407 CG1 VAL A 453 0.926 -12.301 -0.435 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.231 -9.822 -0.506 1.00 0.00 C ATOM 0 H VAL A 453 3.224 -9.215 0.799 1.00 0.00 H new ATOM 0 HA VAL A 453 1.737 -11.566 1.841 1.00 0.00 H new ATOM 0 HB VAL A 453 2.742 -11.281 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 453 0.522 -12.280 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.426 -13.254 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.114 -12.183 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.826 -9.802 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.420 -9.699 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 453 1.948 -9.010 -0.386 1.00 0.00 H new ATOM 418 N CYS A 454 3.839 -12.903 2.216 1.00 0.00 N ATOM 419 CA CYS A 454 5.019 -13.805 2.316 1.00 0.00 C ATOM 420 C CYS A 454 4.558 -15.260 2.286 1.00 0.00 C ATOM 421 O CYS A 454 5.250 -16.131 1.797 1.00 0.00 O ATOM 422 CB CYS A 454 5.769 -13.540 3.626 1.00 0.00 C ATOM 423 SG CYS A 454 4.666 -12.754 4.829 1.00 0.00 S ATOM 0 H CYS A 454 3.167 -12.978 2.980 1.00 0.00 H new ATOM 0 HA CYS A 454 5.683 -13.614 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 454 6.152 -14.477 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.630 -12.899 3.438 1.00 0.00 H new ATOM 0 HG CYS A 454 5.314 -12.537 5.935 1.00 0.00 H new ATOM 429 N THR A 455 3.397 -15.536 2.808 1.00 0.00 N ATOM 430 CA THR A 455 2.905 -16.940 2.811 1.00 0.00 C ATOM 431 C THR A 455 2.008 -17.175 1.597 1.00 0.00 C ATOM 432 O THR A 455 1.278 -16.304 1.172 1.00 0.00 O ATOM 433 CB THR A 455 2.109 -17.199 4.091 1.00 0.00 C ATOM 434 OG1 THR A 455 1.400 -16.020 4.450 1.00 0.00 O ATOM 435 CG2 THR A 455 3.066 -17.587 5.219 1.00 0.00 C ATOM 0 H THR A 455 2.769 -14.853 3.231 1.00 0.00 H new ATOM 0 HA THR A 455 3.756 -17.620 2.767 1.00 0.00 H new ATOM 0 HB THR A 455 1.402 -18.012 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 455 0.888 -16.183 5.269 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.498 -17.771 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.609 -18.490 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.774 -16.776 5.390 1.00 0.00 H new ATOM 443 N LEU A 456 2.057 -18.353 1.038 1.00 0.00 N ATOM 444 CA LEU A 456 1.205 -18.648 -0.144 1.00 0.00 C ATOM 445 C LEU A 456 -0.214 -18.149 0.125 1.00 0.00 C ATOM 446 O LEU A 456 -0.864 -17.596 -0.739 1.00 0.00 O ATOM 447 CB LEU A 456 1.180 -20.155 -0.391 1.00 0.00 C ATOM 448 CG LEU A 456 0.573 -20.433 -1.766 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.452 -19.806 -2.849 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.492 -21.939 -1.991 1.00 0.00 C ATOM 0 H LEU A 456 2.650 -19.122 1.350 1.00 0.00 H new ATOM 0 HA LEU A 456 1.609 -18.146 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.191 -20.560 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 456 0.596 -20.652 0.384 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.427 -20.002 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.019 -20.005 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 456 1.513 -18.729 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.452 -20.237 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 456 0.059 -22.138 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 456 1.493 -22.368 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.134 -22.389 -1.220 1.00 0.00 H new ATOM 462 N GLU A 457 -0.695 -18.337 1.324 1.00 0.00 N ATOM 463 CA GLU A 457 -2.068 -17.869 1.657 1.00 0.00 C ATOM 464 C GLU A 457 -2.145 -16.357 1.453 1.00 0.00 C ATOM 465 O GLU A 457 -3.092 -15.841 0.894 1.00 0.00 O ATOM 466 CB GLU A 457 -2.380 -18.206 3.116 1.00 0.00 C ATOM 467 CG GLU A 457 -2.619 -19.712 3.253 1.00 0.00 C ATOM 468 CD GLU A 457 -2.950 -20.044 4.709 1.00 0.00 C ATOM 469 OE1 GLU A 457 -2.921 -19.138 5.524 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.225 -21.201 4.984 1.00 0.00 O ATOM 0 H GLU A 457 -0.195 -18.795 2.086 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.793 -18.363 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.553 -17.899 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.261 -17.656 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.437 -20.022 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.733 -20.262 2.935 1.00 0.00 H new ATOM 477 N ASP A 458 -1.149 -15.643 1.897 1.00 0.00 N ATOM 478 CA ASP A 458 -1.158 -14.165 1.724 1.00 0.00 C ATOM 479 C ASP A 458 -1.339 -13.835 0.243 1.00 0.00 C ATOM 480 O ASP A 458 -2.048 -12.917 -0.118 1.00 0.00 O ATOM 481 CB ASP A 458 0.166 -13.582 2.217 1.00 0.00 C ATOM 482 CG ASP A 458 0.256 -13.725 3.738 1.00 0.00 C ATOM 483 OD1 ASP A 458 -0.752 -14.048 4.344 1.00 0.00 O ATOM 484 OD2 ASP A 458 1.332 -13.509 4.271 1.00 0.00 O ATOM 0 H ASP A 458 -0.329 -16.020 2.372 1.00 0.00 H new ATOM 0 HA ASP A 458 -1.977 -13.735 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 458 1.001 -14.098 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 458 0.240 -12.532 1.936 1.00 0.00 H new ATOM 489 N LEU A 459 -0.701 -14.580 -0.620 1.00 0.00 N ATOM 490 CA LEU A 459 -0.830 -14.314 -2.081 1.00 0.00 C ATOM 491 C LEU A 459 -2.229 -14.715 -2.556 1.00 0.00 C ATOM 492 O LEU A 459 -2.832 -14.045 -3.371 1.00 0.00 O ATOM 493 CB LEU A 459 0.221 -15.130 -2.839 1.00 0.00 C ATOM 494 CG LEU A 459 0.104 -14.851 -4.339 1.00 0.00 C ATOM 495 CD1 LEU A 459 0.690 -13.473 -4.646 1.00 0.00 C ATOM 496 CD2 LEU A 459 0.873 -15.919 -5.119 1.00 0.00 C ATOM 0 H LEU A 459 -0.095 -15.363 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.676 -13.252 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.220 -14.871 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.080 -16.193 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 459 -0.945 -14.874 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 459 0.608 -13.272 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 459 0.141 -12.712 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 459 1.739 -13.450 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 459 0.789 -15.720 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 459 1.923 -15.898 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 459 0.455 -16.901 -4.899 1.00 0.00 H new ATOM 508 N ALA A 460 -2.749 -15.802 -2.055 1.00 0.00 N ATOM 509 CA ALA A 460 -4.109 -16.244 -2.481 1.00 0.00 C ATOM 510 C ALA A 460 -5.112 -15.115 -2.235 1.00 0.00 C ATOM 511 O ALA A 460 -6.109 -14.998 -2.920 1.00 0.00 O ATOM 512 CB ALA A 460 -4.522 -17.476 -1.669 1.00 0.00 C ATOM 0 H ALA A 460 -2.292 -16.403 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 460 -4.094 -16.494 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.515 -17.800 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.808 -18.281 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.537 -17.224 -0.609 1.00 0.00 H new ATOM 518 N GLU A 461 -4.858 -14.289 -1.260 1.00 0.00 N ATOM 519 CA GLU A 461 -5.798 -13.172 -0.964 1.00 0.00 C ATOM 520 C GLU A 461 -5.473 -11.969 -1.855 1.00 0.00 C ATOM 521 O GLU A 461 -6.203 -11.000 -1.892 1.00 0.00 O ATOM 522 CB GLU A 461 -5.662 -12.770 0.505 1.00 0.00 C ATOM 523 CG GLU A 461 -6.747 -11.749 0.855 1.00 0.00 C ATOM 524 CD GLU A 461 -6.510 -11.224 2.272 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.556 -11.662 2.893 1.00 0.00 O ATOM 526 OE2 GLU A 461 -7.288 -10.393 2.714 1.00 0.00 O ATOM 0 H GLU A 461 -4.039 -14.339 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.819 -13.499 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -5.754 -13.648 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -4.675 -12.345 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.730 -10.925 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -7.732 -12.210 0.786 1.00 0.00 H new ATOM 533 N GLN A 462 -4.384 -12.020 -2.572 1.00 0.00 N ATOM 534 CA GLN A 462 -4.023 -10.872 -3.452 1.00 0.00 C ATOM 535 C GLN A 462 -4.788 -10.973 -4.771 1.00 0.00 C ATOM 536 O GLN A 462 -5.295 -12.018 -5.130 1.00 0.00 O ATOM 537 CB GLN A 462 -2.523 -10.893 -3.742 1.00 0.00 C ATOM 538 CG GLN A 462 -1.759 -11.128 -2.442 1.00 0.00 C ATOM 539 CD GLN A 462 -1.824 -9.868 -1.577 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.730 -8.767 -2.080 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.985 -9.985 -0.288 1.00 0.00 N ATOM 0 H GLN A 462 -3.731 -12.803 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.284 -9.943 -2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.291 -11.679 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.215 -9.949 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -2.187 -11.974 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.721 -11.380 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -2.064 -10.910 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -2.032 -9.151 0.298 1.00 0.00 H new ATOM 550 N GLY A 463 -4.874 -9.891 -5.495 1.00 0.00 N ATOM 551 CA GLY A 463 -5.605 -9.917 -6.794 1.00 0.00 C ATOM 552 C GLY A 463 -4.644 -9.536 -7.924 1.00 0.00 C ATOM 553 O GLY A 463 -3.643 -8.883 -7.706 1.00 0.00 O ATOM 0 H GLY A 463 -4.469 -8.989 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -6.018 -10.910 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.445 -9.223 -6.766 1.00 0.00 H new ATOM 557 N ILE A 464 -4.942 -9.940 -9.128 1.00 0.00 N ATOM 558 CA ILE A 464 -4.048 -9.605 -10.272 1.00 0.00 C ATOM 559 C ILE A 464 -3.711 -8.113 -10.244 1.00 0.00 C ATOM 560 O ILE A 464 -2.603 -7.711 -10.537 1.00 0.00 O ATOM 561 CB ILE A 464 -4.757 -9.940 -11.585 1.00 0.00 C ATOM 562 CG1 ILE A 464 -5.019 -11.444 -11.653 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.873 -9.522 -12.761 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.863 -11.761 -12.889 1.00 0.00 C ATOM 0 H ILE A 464 -5.767 -10.489 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.128 -10.185 -10.193 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.705 -9.404 -11.634 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.075 -11.987 -11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.536 -11.775 -10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.377 -9.760 -13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.686 -8.449 -12.712 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.925 -10.058 -12.712 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.049 -12.834 -12.937 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.813 -11.230 -12.827 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.329 -11.445 -13.785 1.00 0.00 H new ATOM 576 N ASP A 465 -4.660 -7.291 -9.900 1.00 0.00 N ATOM 577 CA ASP A 465 -4.399 -5.825 -9.856 1.00 0.00 C ATOM 578 C ASP A 465 -3.394 -5.514 -8.747 1.00 0.00 C ATOM 579 O ASP A 465 -2.536 -4.667 -8.893 1.00 0.00 O ATOM 580 CB ASP A 465 -5.709 -5.082 -9.582 1.00 0.00 C ATOM 581 CG ASP A 465 -5.476 -3.576 -9.716 1.00 0.00 C ATOM 582 OD1 ASP A 465 -4.400 -3.199 -10.150 1.00 0.00 O ATOM 583 OD2 ASP A 465 -6.378 -2.826 -9.382 1.00 0.00 O ATOM 0 H ASP A 465 -5.608 -7.570 -9.647 1.00 0.00 H new ATOM 0 HA ASP A 465 -3.990 -5.502 -10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.478 -5.406 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -6.071 -5.318 -8.581 1.00 0.00 H new ATOM 588 N ASP A 466 -3.496 -6.192 -7.639 1.00 0.00 N ATOM 589 CA ASP A 466 -2.547 -5.937 -6.519 1.00 0.00 C ATOM 590 C ASP A 466 -1.130 -6.311 -6.956 1.00 0.00 C ATOM 591 O ASP A 466 -0.196 -5.549 -6.788 1.00 0.00 O ATOM 592 CB ASP A 466 -2.949 -6.782 -5.309 1.00 0.00 C ATOM 593 CG ASP A 466 -4.257 -6.243 -4.724 1.00 0.00 C ATOM 594 OD1 ASP A 466 -4.664 -5.167 -5.128 1.00 0.00 O ATOM 595 OD2 ASP A 466 -4.828 -6.917 -3.884 1.00 0.00 O ATOM 0 H ASP A 466 -4.196 -6.912 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.576 -4.881 -6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.072 -7.824 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.162 -6.755 -4.555 1.00 0.00 H new ATOM 600 N LEU A 467 -0.960 -7.477 -7.515 1.00 0.00 N ATOM 601 CA LEU A 467 0.396 -7.901 -7.962 1.00 0.00 C ATOM 602 C LEU A 467 0.737 -7.206 -9.282 1.00 0.00 C ATOM 603 O LEU A 467 1.889 -7.054 -9.636 1.00 0.00 O ATOM 604 CB LEU A 467 0.415 -9.415 -8.168 1.00 0.00 C ATOM 605 CG LEU A 467 0.622 -10.112 -6.823 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.475 -9.680 -5.848 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.559 -11.626 -7.025 1.00 0.00 C ATOM 0 H LEU A 467 -1.703 -8.156 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 467 1.130 -7.627 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.522 -9.743 -8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.213 -9.689 -8.858 1.00 0.00 H new ATOM 0 HG LEU A 467 1.595 -9.838 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.326 -10.177 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.432 -8.600 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -1.450 -9.954 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 467 0.706 -12.127 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -0.415 -11.899 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 467 1.341 -11.933 -7.720 1.00 0.00 H new ATOM 619 N ALA A 468 -0.258 -6.788 -10.015 1.00 0.00 N ATOM 620 CA ALA A 468 0.003 -6.107 -11.315 1.00 0.00 C ATOM 621 C ALA A 468 1.015 -4.979 -11.110 1.00 0.00 C ATOM 622 O ALA A 468 1.799 -4.668 -11.987 1.00 0.00 O ATOM 623 CB ALA A 468 -1.305 -5.528 -11.858 1.00 0.00 C ATOM 0 H ALA A 468 -1.243 -6.889 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 468 0.406 -6.828 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -1.115 -5.030 -12.809 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -2.025 -6.333 -12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.708 -4.808 -11.145 1.00 0.00 H new ATOM 629 N ASP A 469 1.007 -4.363 -9.962 1.00 0.00 N ATOM 630 CA ASP A 469 1.968 -3.255 -9.704 1.00 0.00 C ATOM 631 C ASP A 469 3.398 -3.794 -9.771 1.00 0.00 C ATOM 632 O ASP A 469 4.329 -3.075 -10.077 1.00 0.00 O ATOM 633 CB ASP A 469 1.709 -2.667 -8.316 1.00 0.00 C ATOM 634 CG ASP A 469 2.575 -1.422 -8.119 1.00 0.00 C ATOM 635 OD1 ASP A 469 3.205 -1.005 -9.077 1.00 0.00 O ATOM 636 OD2 ASP A 469 2.594 -0.906 -7.014 1.00 0.00 O ATOM 0 H ASP A 469 0.376 -4.579 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 469 1.837 -2.478 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 469 0.655 -2.410 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 469 1.936 -3.406 -7.548 1.00 0.00 H new ATOM 641 N ILE A 470 3.581 -5.053 -9.485 1.00 0.00 N ATOM 642 CA ILE A 470 4.952 -5.633 -9.531 1.00 0.00 C ATOM 643 C ILE A 470 5.514 -5.502 -10.946 1.00 0.00 C ATOM 644 O ILE A 470 4.783 -5.391 -11.910 1.00 0.00 O ATOM 645 CB ILE A 470 4.896 -7.112 -9.143 1.00 0.00 C ATOM 646 CG1 ILE A 470 4.158 -7.262 -7.813 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.319 -7.658 -8.999 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.838 -6.398 -6.750 1.00 0.00 C ATOM 0 H ILE A 470 2.842 -5.704 -9.222 1.00 0.00 H new ATOM 0 HA ILE A 470 5.594 -5.097 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 470 4.369 -7.670 -9.917 1.00 0.00 H new ATOM 0 HG12 ILE A 470 3.116 -6.963 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 470 4.157 -8.307 -7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 470 6.278 -8.712 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.847 -7.552 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.846 -7.100 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 470 4.311 -6.506 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.873 -6.718 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.816 -5.354 -7.061 1.00 0.00 H new ATOM 660 N GLU A 471 6.811 -5.519 -11.076 1.00 0.00 N ATOM 661 CA GLU A 471 7.428 -5.401 -12.426 1.00 0.00 C ATOM 662 C GLU A 471 7.716 -6.800 -12.975 1.00 0.00 C ATOM 663 O GLU A 471 8.171 -7.674 -12.265 1.00 0.00 O ATOM 664 CB GLU A 471 8.736 -4.613 -12.322 1.00 0.00 C ATOM 665 CG GLU A 471 9.290 -4.357 -13.725 1.00 0.00 C ATOM 666 CD GLU A 471 10.642 -3.649 -13.619 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.079 -3.414 -12.505 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.218 -3.354 -14.654 1.00 0.00 O ATOM 0 H GLU A 471 7.471 -5.610 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 471 6.744 -4.880 -13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.563 -3.667 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.462 -5.169 -11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.402 -5.300 -14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.592 -3.746 -14.297 1.00 0.00 H new ATOM 675 N GLY A 472 7.452 -7.020 -14.234 1.00 0.00 N ATOM 676 CA GLY A 472 7.709 -8.365 -14.824 1.00 0.00 C ATOM 677 C GLY A 472 6.456 -9.233 -14.682 1.00 0.00 C ATOM 678 O GLY A 472 6.446 -10.389 -15.053 1.00 0.00 O ATOM 0 H GLY A 472 7.070 -6.328 -14.879 1.00 0.00 H new ATOM 0 HA2 GLY A 472 7.979 -8.267 -15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.552 -8.839 -14.321 1.00 0.00 H new ATOM 682 N LEU A 473 5.399 -8.684 -14.147 1.00 0.00 N ATOM 683 CA LEU A 473 4.150 -9.480 -13.983 1.00 0.00 C ATOM 684 C LEU A 473 3.081 -8.951 -14.942 1.00 0.00 C ATOM 685 O LEU A 473 2.811 -7.768 -14.994 1.00 0.00 O ATOM 686 CB LEU A 473 3.652 -9.353 -12.541 1.00 0.00 C ATOM 687 CG LEU A 473 2.473 -10.303 -12.320 1.00 0.00 C ATOM 688 CD1 LEU A 473 2.823 -11.687 -12.872 1.00 0.00 C ATOM 689 CD2 LEU A 473 2.181 -10.411 -10.823 1.00 0.00 C ATOM 0 H LEU A 473 5.347 -7.720 -13.817 1.00 0.00 H new ATOM 0 HA LEU A 473 4.352 -10.528 -14.206 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.457 -9.589 -11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 473 3.347 -8.326 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 473 1.593 -9.918 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.984 -12.364 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 473 3.033 -11.611 -13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 473 3.702 -12.073 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.341 -11.087 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 473 3.061 -10.797 -10.308 1.00 0.00 H new ATOM 0 HD23 LEU A 473 1.933 -9.426 -10.429 1.00 0.00 H new ATOM 701 N THR A 474 2.473 -9.818 -15.706 1.00 0.00 N ATOM 702 CA THR A 474 1.427 -9.361 -16.663 1.00 0.00 C ATOM 703 C THR A 474 0.042 -9.688 -16.103 1.00 0.00 C ATOM 704 O THR A 474 -0.091 -10.365 -15.102 1.00 0.00 O ATOM 705 CB THR A 474 1.613 -10.075 -18.004 1.00 0.00 C ATOM 706 OG1 THR A 474 2.665 -11.024 -17.891 1.00 0.00 O ATOM 707 CG2 THR A 474 1.959 -9.051 -19.087 1.00 0.00 C ATOM 0 H THR A 474 2.656 -10.822 -15.708 1.00 0.00 H new ATOM 0 HA THR A 474 1.516 -8.284 -16.808 1.00 0.00 H new ATOM 0 HB THR A 474 0.689 -10.587 -18.275 1.00 0.00 H new ATOM 0 HG1 THR A 474 2.785 -11.484 -18.748 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.091 -9.561 -20.041 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.151 -8.325 -19.173 1.00 0.00 H new ATOM 0 HG23 THR A 474 2.882 -8.537 -18.820 1.00 0.00 H new ATOM 715 N ASP A 475 -0.993 -9.214 -16.743 1.00 0.00 N ATOM 716 CA ASP A 475 -2.370 -9.499 -16.251 1.00 0.00 C ATOM 717 C ASP A 475 -2.638 -11.002 -16.341 1.00 0.00 C ATOM 718 O ASP A 475 -3.221 -11.594 -15.456 1.00 0.00 O ATOM 719 CB ASP A 475 -3.384 -8.745 -17.114 1.00 0.00 C ATOM 720 CG ASP A 475 -3.222 -7.240 -16.889 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.547 -6.872 -15.943 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.775 -6.482 -17.669 1.00 0.00 O ATOM 0 H ASP A 475 -0.943 -8.641 -17.586 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.464 -9.174 -15.215 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -3.232 -8.985 -18.166 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.397 -9.055 -16.859 1.00 0.00 H new ATOM 727 N GLU A 476 -2.211 -11.625 -17.407 1.00 0.00 N ATOM 728 CA GLU A 476 -2.434 -13.090 -17.553 1.00 0.00 C ATOM 729 C GLU A 476 -1.514 -13.837 -16.587 1.00 0.00 C ATOM 730 O GLU A 476 -1.922 -14.764 -15.916 1.00 0.00 O ATOM 731 CB GLU A 476 -2.123 -13.513 -18.991 1.00 0.00 C ATOM 732 CG GLU A 476 -3.108 -12.836 -19.947 1.00 0.00 C ATOM 733 CD GLU A 476 -2.846 -13.316 -21.377 1.00 0.00 C ATOM 734 OE1 GLU A 476 -1.854 -13.995 -21.581 1.00 0.00 O ATOM 735 OE2 GLU A 476 -3.643 -12.993 -22.243 1.00 0.00 O ATOM 0 H GLU A 476 -1.718 -11.182 -18.182 1.00 0.00 H new ATOM 0 HA GLU A 476 -3.473 -13.328 -17.325 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -1.101 -13.237 -19.250 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -2.194 -14.597 -19.086 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -4.132 -13.070 -19.656 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -3.000 -11.753 -19.890 1.00 0.00 H new ATOM 742 N LYS A 477 -0.273 -13.437 -16.508 1.00 0.00 N ATOM 743 CA LYS A 477 0.674 -14.120 -15.582 1.00 0.00 C ATOM 744 C LYS A 477 0.170 -13.972 -14.146 1.00 0.00 C ATOM 745 O LYS A 477 0.207 -14.901 -13.364 1.00 0.00 O ATOM 746 CB LYS A 477 2.059 -13.482 -15.708 1.00 0.00 C ATOM 747 CG LYS A 477 3.050 -14.231 -14.814 1.00 0.00 C ATOM 748 CD LYS A 477 4.423 -13.561 -14.902 1.00 0.00 C ATOM 749 CE LYS A 477 5.459 -14.427 -14.184 1.00 0.00 C ATOM 750 NZ LYS A 477 6.746 -14.387 -14.936 1.00 0.00 N ATOM 0 H LYS A 477 0.125 -12.667 -17.045 1.00 0.00 H new ATOM 0 HA LYS A 477 0.739 -15.177 -15.838 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.393 -13.514 -16.745 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.015 -12.432 -15.420 1.00 0.00 H new ATOM 0 HG2 LYS A 477 2.698 -14.230 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 477 3.121 -15.273 -15.125 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.707 -13.425 -15.946 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.386 -12.570 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.608 -14.066 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.101 -15.454 -14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.451 -14.976 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 6.597 -14.751 -15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.089 -13.406 -14.986 1.00 0.00 H new ATOM 764 N ALA A 478 -0.304 -12.809 -13.798 1.00 0.00 N ATOM 765 CA ALA A 478 -0.817 -12.594 -12.416 1.00 0.00 C ATOM 766 C ALA A 478 -2.021 -13.507 -12.178 1.00 0.00 C ATOM 767 O ALA A 478 -2.223 -14.017 -11.094 1.00 0.00 O ATOM 768 CB ALA A 478 -1.244 -11.134 -12.253 1.00 0.00 C ATOM 0 H ALA A 478 -0.359 -11.996 -14.412 1.00 0.00 H new ATOM 0 HA ALA A 478 -0.034 -12.825 -11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.620 -10.975 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.388 -10.483 -12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -2.029 -10.902 -12.972 1.00 0.00 H new ATOM 774 N GLY A 479 -2.820 -13.719 -13.187 1.00 0.00 N ATOM 775 CA GLY A 479 -4.010 -14.601 -13.024 1.00 0.00 C ATOM 776 C GLY A 479 -3.551 -16.022 -12.709 1.00 0.00 C ATOM 777 O GLY A 479 -4.165 -16.720 -11.933 1.00 0.00 O ATOM 0 H GLY A 479 -2.700 -13.319 -14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.646 -14.227 -12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.608 -14.594 -13.935 1.00 0.00 H new ATOM 781 N ALA A 480 -2.469 -16.452 -13.294 1.00 0.00 N ATOM 782 CA ALA A 480 -1.974 -17.831 -13.018 1.00 0.00 C ATOM 783 C ALA A 480 -1.202 -17.842 -11.700 1.00 0.00 C ATOM 784 O ALA A 480 -1.477 -18.629 -10.817 1.00 0.00 O ATOM 785 CB ALA A 480 -1.054 -18.279 -14.155 1.00 0.00 C ATOM 0 H ALA A 480 -1.906 -15.911 -13.950 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.821 -18.514 -12.946 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -0.692 -19.287 -13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.607 -18.273 -15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 480 -0.207 -17.597 -14.228 1.00 0.00 H new ATOM 791 N LEU A 481 -0.235 -16.979 -11.559 1.00 0.00 N ATOM 792 CA LEU A 481 0.552 -16.944 -10.295 1.00 0.00 C ATOM 793 C LEU A 481 -0.408 -16.892 -9.104 1.00 0.00 C ATOM 794 O LEU A 481 -0.397 -17.751 -8.245 1.00 0.00 O ATOM 795 CB LEU A 481 1.443 -15.701 -10.284 1.00 0.00 C ATOM 796 CG LEU A 481 2.766 -16.015 -10.984 1.00 0.00 C ATOM 797 CD1 LEU A 481 3.592 -16.964 -10.112 1.00 0.00 C ATOM 798 CD2 LEU A 481 2.484 -16.675 -12.336 1.00 0.00 C ATOM 0 H LEU A 481 0.044 -16.297 -12.264 1.00 0.00 H new ATOM 0 HA LEU A 481 1.173 -17.837 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 481 0.940 -14.876 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.629 -15.383 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 481 3.323 -15.091 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 481 4.535 -17.188 -10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 481 3.793 -16.492 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.037 -17.888 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 481 3.427 -16.899 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 481 1.927 -17.599 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 481 1.897 -15.998 -12.956 1.00 0.00 H new ATOM 810 N ILE A 482 -1.237 -15.887 -9.050 1.00 0.00 N ATOM 811 CA ILE A 482 -2.200 -15.768 -7.920 1.00 0.00 C ATOM 812 C ILE A 482 -3.148 -16.967 -7.920 1.00 0.00 C ATOM 813 O ILE A 482 -3.574 -17.435 -6.883 1.00 0.00 O ATOM 814 CB ILE A 482 -3.011 -14.483 -8.081 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.079 -13.275 -7.985 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.063 -14.402 -6.973 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.887 -11.993 -8.191 1.00 0.00 C ATOM 0 H ILE A 482 -1.289 -15.140 -9.743 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.651 -15.743 -6.979 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.504 -14.485 -9.053 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.589 -13.257 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.293 -13.347 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.642 -13.486 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.729 -15.262 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.569 -14.400 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.224 -11.130 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.357 -12.013 -9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.657 -11.921 -7.423 1.00 0.00 H new ATOM 829 N MET A 483 -3.485 -17.466 -9.075 1.00 0.00 N ATOM 830 CA MET A 483 -4.409 -18.632 -9.141 1.00 0.00 C ATOM 831 C MET A 483 -3.650 -19.909 -8.778 1.00 0.00 C ATOM 832 O MET A 483 -4.212 -20.845 -8.245 1.00 0.00 O ATOM 833 CB MET A 483 -4.978 -18.748 -10.557 1.00 0.00 C ATOM 834 CG MET A 483 -6.162 -17.787 -10.701 1.00 0.00 C ATOM 835 SD MET A 483 -6.573 -17.577 -12.450 1.00 0.00 S ATOM 836 CE MET A 483 -7.696 -18.984 -12.584 1.00 0.00 C ATOM 0 H MET A 483 -3.161 -17.117 -9.977 1.00 0.00 H new ATOM 0 HA MET A 483 -5.227 -18.492 -8.434 1.00 0.00 H new ATOM 0 HB2 MET A 483 -4.209 -18.510 -11.292 1.00 0.00 H new ATOM 0 HB3 MET A 483 -5.299 -19.772 -10.751 1.00 0.00 H new ATOM 0 HG2 MET A 483 -7.025 -18.175 -10.159 1.00 0.00 H new ATOM 0 HG3 MET A 483 -5.915 -16.822 -10.258 1.00 0.00 H new ATOM 0 HE1 MET A 483 -8.079 -19.048 -13.603 1.00 0.00 H new ATOM 0 HE2 MET A 483 -7.161 -19.901 -12.339 1.00 0.00 H new ATOM 0 HE3 MET A 483 -8.528 -18.853 -11.892 1.00 0.00 H new ATOM 846 N ALA A 484 -2.376 -19.955 -9.052 1.00 0.00 N ATOM 847 CA ALA A 484 -1.585 -21.170 -8.712 1.00 0.00 C ATOM 848 C ALA A 484 -1.545 -21.331 -7.193 1.00 0.00 C ATOM 849 O ALA A 484 -1.731 -22.409 -6.664 1.00 0.00 O ATOM 850 CB ALA A 484 -0.160 -21.020 -9.249 1.00 0.00 C ATOM 0 H ALA A 484 -1.849 -19.204 -9.497 1.00 0.00 H new ATOM 0 HA ALA A 484 -2.048 -22.048 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.418 -21.910 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 484 -0.190 -20.898 -10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.308 -20.145 -8.799 1.00 0.00 H new ATOM 856 N ALA A 485 -1.312 -20.259 -6.488 1.00 0.00 N ATOM 857 CA ALA A 485 -1.267 -20.339 -5.003 1.00 0.00 C ATOM 858 C ALA A 485 -2.688 -20.515 -4.473 1.00 0.00 C ATOM 859 O ALA A 485 -2.942 -21.312 -3.592 1.00 0.00 O ATOM 860 CB ALA A 485 -0.668 -19.053 -4.435 1.00 0.00 C ATOM 0 H ALA A 485 -1.151 -19.330 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.650 -21.185 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.637 -19.116 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.343 -18.922 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.283 -18.203 -4.732 1.00 0.00 H new ATOM 866 N ARG A 486 -3.619 -19.782 -5.016 1.00 0.00 N ATOM 867 CA ARG A 486 -5.028 -19.915 -4.559 1.00 0.00 C ATOM 868 C ARG A 486 -5.483 -21.353 -4.801 1.00 0.00 C ATOM 869 O ARG A 486 -6.149 -21.954 -3.982 1.00 0.00 O ATOM 870 CB ARG A 486 -5.916 -18.958 -5.357 1.00 0.00 C ATOM 871 CG ARG A 486 -5.664 -17.522 -4.893 1.00 0.00 C ATOM 872 CD ARG A 486 -6.574 -16.569 -5.669 1.00 0.00 C ATOM 873 NE ARG A 486 -6.146 -15.163 -5.426 1.00 0.00 N ATOM 874 CZ ARG A 486 -6.912 -14.173 -5.796 1.00 0.00 C ATOM 875 NH1 ARG A 486 -7.367 -13.331 -4.909 1.00 0.00 N ATOM 876 NH2 ARG A 486 -7.227 -14.025 -7.055 1.00 0.00 N ATOM 0 H ARG A 486 -3.464 -19.097 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.102 -19.672 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.703 -19.050 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -6.966 -19.218 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -5.856 -17.435 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.619 -17.255 -5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -6.530 -16.794 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.610 -16.704 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.253 -14.974 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.124 -13.446 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -7.965 -12.558 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -6.874 -14.683 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -7.826 -13.251 -7.343 1.00 0.00 H new ATOM 890 N ASN A 487 -5.116 -21.910 -5.923 1.00 0.00 N ATOM 891 CA ASN A 487 -5.514 -23.313 -6.226 1.00 0.00 C ATOM 892 C ASN A 487 -4.825 -24.258 -5.239 1.00 0.00 C ATOM 893 O ASN A 487 -5.336 -25.310 -4.914 1.00 0.00 O ATOM 894 CB ASN A 487 -5.087 -23.670 -7.652 1.00 0.00 C ATOM 895 CG ASN A 487 -5.825 -22.775 -8.648 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.949 -22.379 -8.410 1.00 0.00 O ATOM 897 ND2 ASN A 487 -5.237 -22.435 -9.763 1.00 0.00 N ATOM 0 H ASN A 487 -4.557 -21.453 -6.643 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.596 -23.412 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -4.010 -23.543 -7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -5.307 -24.718 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.721 -21.838 -10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -4.294 -22.767 -9.964 1.00 0.00 H new ATOM 904 N ILE A 488 -3.664 -23.892 -4.765 1.00 0.00 N ATOM 905 CA ILE A 488 -2.943 -24.776 -3.807 1.00 0.00 C ATOM 906 C ILE A 488 -3.527 -24.607 -2.403 1.00 0.00 C ATOM 907 O ILE A 488 -3.535 -25.527 -1.609 1.00 0.00 O ATOM 908 CB ILE A 488 -1.459 -24.409 -3.793 1.00 0.00 C ATOM 909 CG1 ILE A 488 -0.839 -24.757 -5.148 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.751 -25.197 -2.689 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.553 -24.133 -5.251 1.00 0.00 C ATOM 0 H ILE A 488 -3.186 -23.022 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.058 -25.814 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.347 -23.341 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -0.773 -25.839 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.474 -24.390 -5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.307 -24.937 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.196 -24.952 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -0.860 -26.265 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 488 0.993 -24.382 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.474 -23.050 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.186 -24.522 -4.453 1.00 0.00 H new ATOM 923 N CYS A 489 -4.012 -23.439 -2.087 1.00 0.00 N ATOM 924 CA CYS A 489 -4.590 -23.215 -0.732 1.00 0.00 C ATOM 925 C CYS A 489 -6.111 -23.380 -0.786 1.00 0.00 C ATOM 926 O CYS A 489 -6.755 -23.614 0.218 1.00 0.00 O ATOM 927 CB CYS A 489 -4.247 -21.800 -0.264 1.00 0.00 C ATOM 928 SG CYS A 489 -2.979 -21.883 1.025 1.00 0.00 S ATOM 0 H CYS A 489 -4.033 -22.630 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 489 -4.174 -23.943 -0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.889 -21.204 -1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -5.139 -21.306 0.120 1.00 0.00 H new ATOM 0 HG CYS A 489 -2.120 -20.922 0.852 1.00 0.00 H new ATOM 934 N TRP A 490 -6.692 -23.257 -1.948 1.00 0.00 N ATOM 935 CA TRP A 490 -8.171 -23.405 -2.061 1.00 0.00 C ATOM 936 C TRP A 490 -8.508 -24.779 -2.645 1.00 0.00 C ATOM 937 O TRP A 490 -8.678 -25.745 -1.928 1.00 0.00 O ATOM 938 CB TRP A 490 -8.721 -22.312 -2.980 1.00 0.00 C ATOM 939 CG TRP A 490 -8.528 -20.976 -2.340 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.983 -20.768 -1.120 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.868 -19.660 -2.865 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.967 -19.409 -0.862 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.502 -18.684 -1.908 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.453 -19.224 -4.067 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.710 -17.322 -2.136 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.663 -17.855 -4.301 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.291 -16.907 -3.337 1.00 0.00 C ATOM 0 H TRP A 490 -6.207 -23.061 -2.824 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.621 -23.313 -1.072 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.212 -22.342 -3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.780 -22.484 -3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.619 -21.538 -0.455 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.604 -18.993 -0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.743 -19.947 -4.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.424 -16.595 -1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.113 -17.531 -5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.454 -15.856 -3.523 1.00 0.00 H new