USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=8 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+ 157:sc= -0.132 (180deg=-1.2) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.7 F(o=-4.9!,f=-2.7) USER MOD Single : A 447 LYS NZ :NH3+ 160:sc= -0.0157 (180deg=-0.36) USER MOD Single : A 454 CYS SG : rot 6:sc= 0.615 USER MOD Single : A 455 THR OG1 : rot -66:sc= -2.37! USER MOD Single : A 462 GLN : amide:sc= 0.968 K(o=0.97,f=-0.89) USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl -175:sc= -6.06! (180deg=-6.62!) USER MOD Single : A 487 ASN : amide:sc= -3.07! X(o=-3.1!,f=-2.8) USER MOD Single : A 489 CYS SG : rot 130:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.748 -11.922 5.181 1.00 0.00 N ATOM 35 CA LYS A 429 10.370 -13.040 4.417 1.00 0.00 C ATOM 36 C LYS A 429 9.272 -13.938 3.845 1.00 0.00 C ATOM 37 O LYS A 429 8.317 -14.270 4.517 1.00 0.00 O ATOM 38 CB LYS A 429 11.266 -13.859 5.348 1.00 0.00 C ATOM 39 CG LYS A 429 12.573 -14.201 4.629 1.00 0.00 C ATOM 40 CD LYS A 429 13.747 -14.029 5.596 1.00 0.00 C ATOM 41 CE LYS A 429 14.905 -14.929 5.160 1.00 0.00 C ATOM 42 NZ LYS A 429 14.959 -14.983 3.672 1.00 0.00 N ATOM 0 HA LYS A 429 10.969 -12.634 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.476 -13.295 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 429 10.755 -14.773 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 429 12.540 -15.226 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 429 12.704 -13.553 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 429 14.068 -12.988 5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 429 13.437 -14.283 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 429 15.846 -14.546 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 429 14.773 -15.932 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 15.919 -15.244 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 14.282 -15.692 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 14.714 -14.051 3.282 1.00 0.00 H new ATOM 56 N PRO A 430 9.418 -14.334 2.572 1.00 0.00 N ATOM 57 CA PRO A 430 8.441 -15.195 1.890 1.00 0.00 C ATOM 58 C PRO A 430 8.476 -16.632 2.420 1.00 0.00 C ATOM 59 O PRO A 430 9.519 -17.150 2.769 1.00 0.00 O ATOM 60 CB PRO A 430 8.895 -15.164 0.432 1.00 0.00 C ATOM 61 CG PRO A 430 10.352 -14.848 0.494 1.00 0.00 C ATOM 62 CD PRO A 430 10.548 -13.972 1.700 1.00 0.00 C ATOM 0 HA PRO A 430 7.418 -14.850 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.718 -16.122 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.350 -14.410 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.943 -15.760 0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.677 -14.338 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.506 -14.163 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.529 -12.915 1.436 1.00 0.00 H new ATOM 70 N ALA A 431 7.344 -17.281 2.483 1.00 0.00 N ATOM 71 CA ALA A 431 7.313 -18.682 2.990 1.00 0.00 C ATOM 72 C ALA A 431 7.833 -19.631 1.908 1.00 0.00 C ATOM 73 O ALA A 431 7.802 -19.326 0.732 1.00 0.00 O ATOM 74 CB ALA A 431 5.876 -19.062 3.354 1.00 0.00 C ATOM 0 H ALA A 431 6.439 -16.901 2.205 1.00 0.00 H new ATOM 0 HA ALA A 431 7.945 -18.760 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.853 -20.087 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.506 -18.388 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 431 5.243 -18.982 2.470 1.00 0.00 H new ATOM 80 N ASP A 432 8.314 -20.779 2.299 1.00 0.00 N ATOM 81 CA ASP A 432 8.841 -21.748 1.300 1.00 0.00 C ATOM 82 C ASP A 432 7.781 -22.021 0.230 1.00 0.00 C ATOM 83 O ASP A 432 8.097 -22.244 -0.922 1.00 0.00 O ATOM 84 CB ASP A 432 9.199 -23.057 2.005 1.00 0.00 C ATOM 85 CG ASP A 432 10.419 -22.836 2.901 1.00 0.00 C ATOM 86 OD1 ASP A 432 11.043 -21.795 2.772 1.00 0.00 O ATOM 87 OD2 ASP A 432 10.710 -23.711 3.700 1.00 0.00 O ATOM 0 H ASP A 432 8.364 -21.087 3.270 1.00 0.00 H new ATOM 0 HA ASP A 432 9.729 -21.329 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 432 8.355 -23.404 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.410 -23.833 1.269 1.00 0.00 H new ATOM 92 N ASP A 433 6.527 -22.010 0.593 1.00 0.00 N ATOM 93 CA ASP A 433 5.466 -22.277 -0.419 1.00 0.00 C ATOM 94 C ASP A 433 5.579 -21.252 -1.546 1.00 0.00 C ATOM 95 O ASP A 433 5.408 -21.564 -2.707 1.00 0.00 O ATOM 96 CB ASP A 433 4.087 -22.167 0.235 1.00 0.00 C ATOM 97 CG ASP A 433 3.957 -23.224 1.334 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.786 -24.119 1.368 1.00 0.00 O ATOM 99 OD2 ASP A 433 3.031 -23.122 2.122 1.00 0.00 O ATOM 0 H ASP A 433 6.193 -21.829 1.540 1.00 0.00 H new ATOM 0 HA ASP A 433 5.592 -23.282 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.951 -21.171 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 433 3.306 -22.306 -0.513 1.00 0.00 H new ATOM 104 N LEU A 434 5.874 -20.029 -1.208 1.00 0.00 N ATOM 105 CA LEU A 434 6.007 -18.976 -2.252 1.00 0.00 C ATOM 106 C LEU A 434 7.364 -19.115 -2.935 1.00 0.00 C ATOM 107 O LEU A 434 7.467 -19.149 -4.146 1.00 0.00 O ATOM 108 CB LEU A 434 5.915 -17.601 -1.591 1.00 0.00 C ATOM 109 CG LEU A 434 5.616 -16.541 -2.651 1.00 0.00 C ATOM 110 CD1 LEU A 434 4.103 -16.445 -2.860 1.00 0.00 C ATOM 111 CD2 LEU A 434 6.154 -15.188 -2.181 1.00 0.00 C ATOM 0 H LEU A 434 6.029 -19.712 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 434 5.212 -19.085 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 434 5.132 -17.603 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.850 -17.368 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 434 6.096 -16.817 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 434 3.887 -15.690 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 434 3.720 -17.410 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 434 3.623 -16.167 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 434 5.942 -14.430 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 434 5.673 -14.911 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.231 -15.258 -2.029 1.00 0.00 H new ATOM 123 N LEU A 435 8.406 -19.192 -2.161 1.00 0.00 N ATOM 124 CA LEU A 435 9.769 -19.325 -2.743 1.00 0.00 C ATOM 125 C LEU A 435 9.828 -20.551 -3.655 1.00 0.00 C ATOM 126 O LEU A 435 10.434 -20.527 -4.707 1.00 0.00 O ATOM 127 CB LEU A 435 10.785 -19.489 -1.613 1.00 0.00 C ATOM 128 CG LEU A 435 10.999 -18.143 -0.919 1.00 0.00 C ATOM 129 CD1 LEU A 435 10.991 -18.345 0.598 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.344 -17.555 -1.349 1.00 0.00 C ATOM 0 H LEU A 435 8.373 -19.168 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 435 10.001 -18.433 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 435 10.430 -20.228 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.730 -19.859 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 435 10.198 -17.458 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 435 11.143 -17.386 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 435 10.032 -18.763 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.792 -19.030 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 435 12.497 -16.596 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 435 13.146 -18.239 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 435 12.349 -17.411 -2.429 1.00 0.00 H new ATOM 142 N ASN A 436 9.213 -21.626 -3.253 1.00 0.00 N ATOM 143 CA ASN A 436 9.242 -22.859 -4.090 1.00 0.00 C ATOM 144 C ASN A 436 8.132 -22.803 -5.141 1.00 0.00 C ATOM 145 O ASN A 436 7.981 -23.704 -5.942 1.00 0.00 O ATOM 146 CB ASN A 436 9.039 -24.081 -3.195 1.00 0.00 C ATOM 147 CG ASN A 436 10.142 -24.121 -2.135 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.832 -23.924 -0.883 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 11.296 -24.334 -2.450 1.00 0.00 N flip ATOM 0 H ASN A 436 8.691 -21.706 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 436 10.205 -22.929 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 436 8.061 -24.037 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 436 9.061 -24.992 -3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.537 -24.488 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 436 12.023 -24.359 -1.735 1.00 0.00 H new ATOM 156 N LEU A 437 7.356 -21.753 -5.152 1.00 0.00 N ATOM 157 CA LEU A 437 6.264 -21.654 -6.162 1.00 0.00 C ATOM 158 C LEU A 437 6.876 -21.568 -7.561 1.00 0.00 C ATOM 159 O LEU A 437 7.799 -20.816 -7.803 1.00 0.00 O ATOM 160 CB LEU A 437 5.416 -20.407 -5.896 1.00 0.00 C ATOM 161 CG LEU A 437 4.094 -20.518 -6.660 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.264 -21.669 -6.089 1.00 0.00 C ATOM 163 CD2 LEU A 437 3.311 -19.211 -6.521 1.00 0.00 C ATOM 0 H LEU A 437 7.430 -20.964 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 437 5.628 -22.537 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 437 5.224 -20.306 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.956 -19.513 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 437 4.303 -20.709 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.324 -21.745 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.818 -22.602 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 437 3.058 -21.481 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.370 -19.291 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.106 -19.020 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.899 -18.390 -6.931 1.00 0.00 H new ATOM 175 N GLU A 438 6.372 -22.341 -8.480 1.00 0.00 N ATOM 176 CA GLU A 438 6.924 -22.319 -9.864 1.00 0.00 C ATOM 177 C GLU A 438 6.725 -20.933 -10.478 1.00 0.00 C ATOM 178 O GLU A 438 7.462 -20.520 -11.352 1.00 0.00 O ATOM 179 CB GLU A 438 6.202 -23.364 -10.712 1.00 0.00 C ATOM 180 CG GLU A 438 6.187 -24.691 -9.955 1.00 0.00 C ATOM 181 CD GLU A 438 5.550 -25.774 -10.829 1.00 0.00 C ATOM 182 OE1 GLU A 438 4.824 -25.420 -11.743 1.00 0.00 O ATOM 183 OE2 GLU A 438 5.800 -26.940 -10.569 1.00 0.00 O ATOM 0 H GLU A 438 5.599 -22.990 -8.333 1.00 0.00 H new ATOM 0 HA GLU A 438 7.990 -22.546 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 438 5.183 -23.039 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 438 6.705 -23.483 -11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 438 7.203 -24.979 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 438 5.628 -24.585 -9.025 1.00 0.00 H new ATOM 190 N GLY A 439 5.739 -20.209 -10.029 1.00 0.00 N ATOM 191 CA GLY A 439 5.502 -18.850 -10.587 1.00 0.00 C ATOM 192 C GLY A 439 6.229 -17.816 -9.726 1.00 0.00 C ATOM 193 O GLY A 439 6.248 -16.641 -10.033 1.00 0.00 O ATOM 0 H GLY A 439 5.087 -20.500 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 439 5.859 -18.799 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.434 -18.635 -10.610 1.00 0.00 H new ATOM 197 N VAL A 440 6.825 -18.242 -8.645 1.00 0.00 N ATOM 198 CA VAL A 440 7.545 -17.276 -7.766 1.00 0.00 C ATOM 199 C VAL A 440 8.992 -17.728 -7.568 1.00 0.00 C ATOM 200 O VAL A 440 9.255 -18.807 -7.074 1.00 0.00 O ATOM 201 CB VAL A 440 6.847 -17.201 -6.407 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.515 -16.124 -5.549 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.372 -16.850 -6.607 1.00 0.00 C ATOM 0 H VAL A 440 6.845 -19.213 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 440 7.537 -16.293 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 440 6.925 -18.166 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 440 7.018 -16.070 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.566 -16.374 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.438 -15.159 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.876 -16.797 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.292 -15.886 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.895 -17.617 -7.217 1.00 0.00 H new ATOM 213 N ASP A 441 9.932 -16.904 -7.938 1.00 0.00 N ATOM 214 CA ASP A 441 11.362 -17.275 -7.758 1.00 0.00 C ATOM 215 C ASP A 441 11.835 -16.760 -6.400 1.00 0.00 C ATOM 216 O ASP A 441 11.123 -16.053 -5.715 1.00 0.00 O ATOM 217 CB ASP A 441 12.202 -16.636 -8.867 1.00 0.00 C ATOM 218 CG ASP A 441 11.699 -17.115 -10.231 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.022 -18.128 -10.268 1.00 0.00 O ATOM 220 OD2 ASP A 441 12.002 -16.460 -11.215 1.00 0.00 O ATOM 0 H ASP A 441 9.771 -15.988 -8.358 1.00 0.00 H new ATOM 0 HA ASP A 441 11.473 -18.358 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.138 -15.550 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.252 -16.901 -8.741 1.00 0.00 H new ATOM 225 N ARG A 442 13.028 -17.098 -6.004 1.00 0.00 N ATOM 226 CA ARG A 442 13.530 -16.613 -4.692 1.00 0.00 C ATOM 227 C ARG A 442 13.449 -15.088 -4.674 1.00 0.00 C ATOM 228 O ARG A 442 13.058 -14.483 -3.696 1.00 0.00 O ATOM 229 CB ARG A 442 14.981 -17.057 -4.504 1.00 0.00 C ATOM 230 CG ARG A 442 15.554 -16.415 -3.239 1.00 0.00 C ATOM 231 CD ARG A 442 16.996 -16.885 -3.036 1.00 0.00 C ATOM 232 NE ARG A 442 17.490 -16.418 -1.710 1.00 0.00 N ATOM 233 CZ ARG A 442 17.292 -17.148 -0.646 1.00 0.00 C ATOM 234 NH1 ARG A 442 16.395 -18.095 -0.662 1.00 0.00 N ATOM 235 NH2 ARG A 442 17.991 -16.929 0.434 1.00 0.00 N ATOM 0 H ARG A 442 13.674 -17.686 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 442 12.927 -17.026 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 442 15.033 -18.143 -4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.575 -16.769 -5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.523 -15.329 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.947 -16.685 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 442 17.046 -17.972 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.632 -16.495 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 442 17.983 -15.528 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 442 15.848 -18.265 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 442 16.241 -18.665 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 442 18.692 -16.188 0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 442 17.837 -17.499 1.266 1.00 0.00 H new ATOM 249 N ASP A 443 13.823 -14.468 -5.756 1.00 0.00 N ATOM 250 CA ASP A 443 13.778 -12.981 -5.824 1.00 0.00 C ATOM 251 C ASP A 443 12.327 -12.498 -5.755 1.00 0.00 C ATOM 252 O ASP A 443 11.990 -11.636 -4.967 1.00 0.00 O ATOM 253 CB ASP A 443 14.406 -12.513 -7.138 1.00 0.00 C ATOM 254 CG ASP A 443 15.911 -12.784 -7.108 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.417 -13.096 -6.042 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.534 -12.676 -8.152 1.00 0.00 O ATOM 0 H ASP A 443 14.160 -14.929 -6.601 1.00 0.00 H new ATOM 0 HA ASP A 443 14.334 -12.568 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 443 13.948 -13.035 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.220 -11.449 -7.284 1.00 0.00 H new ATOM 261 N LEU A 444 11.463 -13.039 -6.572 1.00 0.00 N ATOM 262 CA LEU A 444 10.039 -12.595 -6.542 1.00 0.00 C ATOM 263 C LEU A 444 9.462 -12.846 -5.149 1.00 0.00 C ATOM 264 O LEU A 444 8.508 -12.215 -4.739 1.00 0.00 O ATOM 265 CB LEU A 444 9.233 -13.379 -7.580 1.00 0.00 C ATOM 266 CG LEU A 444 7.848 -12.745 -7.734 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.266 -13.120 -9.098 1.00 0.00 C ATOM 268 CD2 LEU A 444 6.923 -13.258 -6.628 1.00 0.00 C ATOM 0 H LEU A 444 11.680 -13.765 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 444 9.984 -11.531 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.754 -13.378 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 444 9.136 -14.420 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 444 7.935 -11.661 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.280 -12.669 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 444 7.923 -12.754 -9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.180 -14.204 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 444 5.937 -12.806 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.835 -14.342 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.337 -12.992 -5.655 1.00 0.00 H new ATOM 280 N ALA A 445 10.038 -13.758 -4.416 1.00 0.00 N ATOM 281 CA ALA A 445 9.526 -14.041 -3.048 1.00 0.00 C ATOM 282 C ALA A 445 9.817 -12.838 -2.150 1.00 0.00 C ATOM 283 O ALA A 445 9.109 -12.572 -1.199 1.00 0.00 O ATOM 284 CB ALA A 445 10.225 -15.282 -2.488 1.00 0.00 C ATOM 0 H ALA A 445 10.840 -14.318 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 445 8.452 -14.221 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.850 -15.490 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 445 10.024 -16.136 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.300 -15.106 -2.444 1.00 0.00 H new ATOM 290 N PHE A 446 10.854 -12.105 -2.451 1.00 0.00 N ATOM 291 CA PHE A 446 11.193 -10.915 -1.621 1.00 0.00 C ATOM 292 C PHE A 446 10.237 -9.770 -1.965 1.00 0.00 C ATOM 293 O PHE A 446 9.675 -9.137 -1.094 1.00 0.00 O ATOM 294 CB PHE A 446 12.632 -10.487 -1.913 1.00 0.00 C ATOM 295 CG PHE A 446 13.587 -11.466 -1.273 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.695 -11.531 0.122 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.368 -12.309 -2.074 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.581 -12.439 0.715 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.255 -13.217 -1.480 1.00 0.00 C ATOM 300 CZ PHE A 446 15.360 -13.281 -0.085 1.00 0.00 C ATOM 0 H PHE A 446 11.481 -12.279 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 446 11.096 -11.164 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.800 -10.449 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.810 -9.483 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.095 -10.880 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.287 -12.259 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.663 -12.489 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.857 -13.867 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 446 16.043 -13.981 0.373 1.00 0.00 H new ATOM 310 N LYS A 447 10.048 -9.501 -3.230 1.00 0.00 N ATOM 311 CA LYS A 447 9.127 -8.399 -3.627 1.00 0.00 C ATOM 312 C LYS A 447 7.714 -8.716 -3.135 1.00 0.00 C ATOM 313 O LYS A 447 6.973 -7.840 -2.736 1.00 0.00 O ATOM 314 CB LYS A 447 9.113 -8.266 -5.151 1.00 0.00 C ATOM 315 CG LYS A 447 8.439 -6.949 -5.539 1.00 0.00 C ATOM 316 CD LYS A 447 8.522 -6.758 -7.054 1.00 0.00 C ATOM 317 CE LYS A 447 7.967 -5.381 -7.424 1.00 0.00 C ATOM 318 NZ LYS A 447 8.910 -4.325 -6.963 1.00 0.00 N ATOM 0 H LYS A 447 10.491 -9.997 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 447 9.469 -7.464 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.131 -8.295 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.579 -9.106 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.397 -6.954 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 447 8.925 -6.116 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 447 9.556 -6.847 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 447 7.956 -7.539 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 447 7.826 -5.312 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 447 6.989 -5.236 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 8.729 -3.445 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 8.773 -4.157 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 9.888 -4.635 -7.134 1.00 0.00 H new ATOM 332 N LEU A 448 7.337 -9.964 -3.159 1.00 0.00 N ATOM 333 CA LEU A 448 5.975 -10.342 -2.693 1.00 0.00 C ATOM 334 C LEU A 448 5.969 -10.426 -1.166 1.00 0.00 C ATOM 335 O LEU A 448 5.018 -10.042 -0.514 1.00 0.00 O ATOM 336 CB LEU A 448 5.596 -11.703 -3.283 1.00 0.00 C ATOM 337 CG LEU A 448 4.118 -11.985 -3.012 1.00 0.00 C ATOM 338 CD1 LEU A 448 3.362 -12.066 -4.339 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.979 -13.315 -2.263 1.00 0.00 C ATOM 0 H LEU A 448 7.915 -10.740 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 448 5.254 -9.592 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.788 -11.712 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.213 -12.486 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 448 3.701 -11.181 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 448 2.308 -12.267 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.459 -11.120 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.779 -12.869 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.925 -13.515 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 448 4.396 -14.119 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 448 4.517 -13.257 -1.317 1.00 0.00 H new ATOM 351 N ALA A 449 7.028 -10.925 -0.589 1.00 0.00 N ATOM 352 CA ALA A 449 7.087 -11.037 0.896 1.00 0.00 C ATOM 353 C ALA A 449 7.229 -9.643 1.511 1.00 0.00 C ATOM 354 O ALA A 449 6.682 -9.358 2.557 1.00 0.00 O ATOM 355 CB ALA A 449 8.287 -11.897 1.294 1.00 0.00 C ATOM 0 H ALA A 449 7.855 -11.260 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 449 6.171 -11.500 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.331 -11.980 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.183 -12.891 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.204 -11.435 0.928 1.00 0.00 H new ATOM 361 N ALA A 450 7.956 -8.774 0.869 1.00 0.00 N ATOM 362 CA ALA A 450 8.130 -7.399 1.418 1.00 0.00 C ATOM 363 C ALA A 450 6.820 -6.622 1.268 1.00 0.00 C ATOM 364 O ALA A 450 6.677 -5.523 1.767 1.00 0.00 O ATOM 365 CB ALA A 450 9.238 -6.679 0.647 1.00 0.00 C ATOM 0 H ALA A 450 8.438 -8.955 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 450 8.400 -7.460 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.366 -5.673 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.172 -7.232 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.967 -6.618 -0.407 1.00 0.00 H new ATOM 371 N ARG A 451 5.866 -7.183 0.578 1.00 0.00 N ATOM 372 CA ARG A 451 4.570 -6.472 0.389 1.00 0.00 C ATOM 373 C ARG A 451 3.518 -7.039 1.345 1.00 0.00 C ATOM 374 O ARG A 451 2.334 -6.814 1.183 1.00 0.00 O ATOM 375 CB ARG A 451 4.108 -6.643 -1.058 1.00 0.00 C ATOM 376 CG ARG A 451 4.978 -5.767 -1.963 1.00 0.00 C ATOM 377 CD ARG A 451 4.495 -5.878 -3.410 1.00 0.00 C ATOM 378 NE ARG A 451 5.527 -5.303 -4.319 1.00 0.00 N ATOM 379 CZ ARG A 451 5.908 -4.063 -4.172 1.00 0.00 C ATOM 380 NH1 ARG A 451 5.354 -3.121 -4.885 1.00 0.00 N ATOM 381 NH2 ARG A 451 6.845 -3.766 -3.314 1.00 0.00 N ATOM 0 H ARG A 451 5.927 -8.101 0.138 1.00 0.00 H new ATOM 0 HA ARG A 451 4.703 -5.412 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.186 -7.688 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.060 -6.361 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 451 4.932 -4.729 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 451 6.020 -6.078 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.310 -6.922 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 451 3.550 -5.348 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 451 5.935 -5.878 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 451 4.623 -3.353 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 451 5.652 -2.152 -4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 451 7.280 -4.503 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 451 7.143 -2.797 -3.199 1.00 0.00 H new ATOM 395 N GLY A 452 3.936 -7.767 2.344 1.00 0.00 N ATOM 396 CA GLY A 452 2.955 -8.338 3.310 1.00 0.00 C ATOM 397 C GLY A 452 2.619 -9.775 2.908 1.00 0.00 C ATOM 398 O GLY A 452 2.164 -10.564 3.712 1.00 0.00 O ATOM 0 H GLY A 452 4.913 -7.991 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.368 -8.319 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.049 -7.732 3.325 1.00 0.00 H new ATOM 402 N VAL A 453 2.838 -10.121 1.670 1.00 0.00 N ATOM 403 CA VAL A 453 2.531 -11.506 1.219 1.00 0.00 C ATOM 404 C VAL A 453 3.727 -12.411 1.520 1.00 0.00 C ATOM 405 O VAL A 453 4.421 -12.856 0.628 1.00 0.00 O ATOM 406 CB VAL A 453 2.253 -11.504 -0.286 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.207 -12.569 -0.616 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.727 -10.130 -0.713 1.00 0.00 C ATOM 0 H VAL A 453 3.216 -9.504 0.951 1.00 0.00 H new ATOM 0 HA VAL A 453 1.652 -11.877 1.746 1.00 0.00 H new ATOM 0 HB VAL A 453 3.178 -11.722 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 453 1.010 -12.566 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.579 -13.549 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.285 -12.352 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.530 -10.133 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.805 -9.910 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.471 -9.368 -0.483 1.00 0.00 H new ATOM 418 N CYS A 454 3.973 -12.683 2.771 1.00 0.00 N ATOM 419 CA CYS A 454 5.126 -13.554 3.132 1.00 0.00 C ATOM 420 C CYS A 454 4.703 -15.021 3.062 1.00 0.00 C ATOM 421 O CYS A 454 5.497 -15.914 3.283 1.00 0.00 O ATOM 422 CB CYS A 454 5.581 -13.230 4.555 1.00 0.00 C ATOM 423 SG CYS A 454 6.297 -11.567 4.597 1.00 0.00 S ATOM 0 H CYS A 454 3.425 -12.340 3.560 1.00 0.00 H new ATOM 0 HA CYS A 454 5.944 -13.377 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.736 -13.291 5.241 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.316 -13.962 4.889 1.00 0.00 H new ATOM 0 HG CYS A 454 6.134 -10.995 3.441 1.00 0.00 H new ATOM 429 N THR A 455 3.460 -15.284 2.763 1.00 0.00 N ATOM 430 CA THR A 455 3.010 -16.700 2.691 1.00 0.00 C ATOM 431 C THR A 455 2.205 -16.923 1.412 1.00 0.00 C ATOM 432 O THR A 455 1.580 -16.020 0.892 1.00 0.00 O ATOM 433 CB THR A 455 2.134 -17.021 3.905 1.00 0.00 C ATOM 434 OG1 THR A 455 1.303 -15.905 4.194 1.00 0.00 O ATOM 435 CG2 THR A 455 3.021 -17.324 5.113 1.00 0.00 C ATOM 0 H THR A 455 2.743 -14.585 2.567 1.00 0.00 H new ATOM 0 HA THR A 455 3.883 -17.353 2.687 1.00 0.00 H new ATOM 0 HB THR A 455 1.515 -17.891 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.858 -15.150 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.395 -17.552 5.976 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.659 -18.180 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.642 -16.456 5.335 1.00 0.00 H new ATOM 443 N LEU A 456 2.215 -18.124 0.903 1.00 0.00 N ATOM 444 CA LEU A 456 1.449 -18.413 -0.338 1.00 0.00 C ATOM 445 C LEU A 456 -0.010 -18.008 -0.130 1.00 0.00 C ATOM 446 O LEU A 456 -0.645 -17.460 -1.010 1.00 0.00 O ATOM 447 CB LEU A 456 1.528 -19.909 -0.645 1.00 0.00 C ATOM 448 CG LEU A 456 0.689 -20.217 -1.884 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.466 -19.813 -3.140 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.385 -21.713 -1.935 1.00 0.00 C ATOM 0 H LEU A 456 2.722 -18.918 1.295 1.00 0.00 H new ATOM 0 HA LEU A 456 1.869 -17.851 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.564 -20.203 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.166 -20.486 0.206 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.245 -19.657 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 456 0.868 -20.033 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 456 1.684 -18.746 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.400 -20.373 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.214 -21.933 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 456 1.319 -22.273 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.168 -22.003 -1.041 1.00 0.00 H new ATOM 462 N GLU A 457 -0.545 -18.262 1.034 1.00 0.00 N ATOM 463 CA GLU A 457 -1.959 -17.881 1.306 1.00 0.00 C ATOM 464 C GLU A 457 -2.111 -16.373 1.129 1.00 0.00 C ATOM 465 O GLU A 457 -3.053 -15.896 0.527 1.00 0.00 O ATOM 466 CB GLU A 457 -2.323 -18.259 2.741 1.00 0.00 C ATOM 467 CG GLU A 457 -3.838 -18.444 2.852 1.00 0.00 C ATOM 468 CD GLU A 457 -4.225 -18.611 4.322 1.00 0.00 C ATOM 469 OE1 GLU A 457 -3.329 -18.775 5.135 1.00 0.00 O ATOM 470 OE2 GLU A 457 -5.410 -18.571 4.610 1.00 0.00 O ATOM 0 H GLU A 457 -0.062 -18.718 1.809 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.619 -18.405 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.812 -19.178 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -1.990 -17.482 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -4.352 -17.583 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -4.151 -19.318 2.281 1.00 0.00 H new ATOM 477 N ASP A 458 -1.181 -15.624 1.645 1.00 0.00 N ATOM 478 CA ASP A 458 -1.256 -14.145 1.504 1.00 0.00 C ATOM 479 C ASP A 458 -1.363 -13.800 0.018 1.00 0.00 C ATOM 480 O ASP A 458 -2.065 -12.888 -0.372 1.00 0.00 O ATOM 481 CB ASP A 458 0.005 -13.504 2.085 1.00 0.00 C ATOM 482 CG ASP A 458 0.058 -13.757 3.593 1.00 0.00 C ATOM 483 OD1 ASP A 458 -0.951 -14.165 4.142 1.00 0.00 O ATOM 484 OD2 ASP A 458 1.109 -13.535 4.172 1.00 0.00 O ATOM 0 H ASP A 458 -0.371 -15.971 2.159 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.126 -13.767 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.891 -13.919 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 458 0.006 -12.432 1.885 1.00 0.00 H new ATOM 489 N LEU A 459 -0.672 -14.533 -0.814 1.00 0.00 N ATOM 490 CA LEU A 459 -0.731 -14.263 -2.277 1.00 0.00 C ATOM 491 C LEU A 459 -2.114 -14.642 -2.806 1.00 0.00 C ATOM 492 O LEU A 459 -2.695 -13.946 -3.615 1.00 0.00 O ATOM 493 CB LEU A 459 0.334 -15.100 -2.990 1.00 0.00 C ATOM 494 CG LEU A 459 0.692 -14.447 -4.326 1.00 0.00 C ATOM 495 CD1 LEU A 459 1.610 -15.381 -5.118 1.00 0.00 C ATOM 496 CD2 LEU A 459 -0.584 -14.187 -5.126 1.00 0.00 C ATOM 0 H LEU A 459 -0.068 -15.309 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.547 -13.205 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.223 -15.184 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 459 -0.036 -16.112 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 459 1.203 -13.502 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 459 1.866 -14.917 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 459 2.520 -15.566 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 459 1.098 -16.326 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 459 -0.328 -13.722 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 459 -1.097 -15.131 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 459 -1.238 -13.523 -4.562 1.00 0.00 H new ATOM 508 N ALA A 460 -2.650 -15.744 -2.352 1.00 0.00 N ATOM 509 CA ALA A 460 -3.997 -16.164 -2.829 1.00 0.00 C ATOM 510 C ALA A 460 -5.002 -15.048 -2.547 1.00 0.00 C ATOM 511 O ALA A 460 -6.049 -14.969 -3.160 1.00 0.00 O ATOM 512 CB ALA A 460 -4.426 -17.434 -2.090 1.00 0.00 C ATOM 0 H ALA A 460 -2.214 -16.369 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 460 -3.961 -16.362 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.412 -17.742 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.707 -18.229 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.465 -17.236 -1.019 1.00 0.00 H new ATOM 518 N GLU A 461 -4.693 -14.186 -1.619 1.00 0.00 N ATOM 519 CA GLU A 461 -5.628 -13.076 -1.290 1.00 0.00 C ATOM 520 C GLU A 461 -5.319 -11.866 -2.175 1.00 0.00 C ATOM 521 O GLU A 461 -6.075 -10.916 -2.228 1.00 0.00 O ATOM 522 CB GLU A 461 -5.460 -12.690 0.179 1.00 0.00 C ATOM 523 CG GLU A 461 -6.506 -11.638 0.552 1.00 0.00 C ATOM 524 CD GLU A 461 -6.240 -11.137 1.973 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.287 -11.604 2.575 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.994 -10.296 2.436 1.00 0.00 O ATOM 0 H GLU A 461 -3.831 -14.203 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.654 -13.400 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -5.572 -13.570 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -4.457 -12.299 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.468 -10.806 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -7.507 -12.065 0.487 1.00 0.00 H new ATOM 533 N GLN A 462 -4.216 -11.892 -2.871 1.00 0.00 N ATOM 534 CA GLN A 462 -3.868 -10.740 -3.750 1.00 0.00 C ATOM 535 C GLN A 462 -4.639 -10.849 -5.064 1.00 0.00 C ATOM 536 O GLN A 462 -5.113 -11.905 -5.432 1.00 0.00 O ATOM 537 CB GLN A 462 -2.368 -10.751 -4.045 1.00 0.00 C ATOM 538 CG GLN A 462 -1.594 -11.025 -2.757 1.00 0.00 C ATOM 539 CD GLN A 462 -1.803 -9.867 -1.779 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.903 -8.725 -2.183 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.871 -10.114 -0.499 1.00 0.00 N ATOM 0 H GLN A 462 -3.543 -12.658 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.133 -9.811 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.139 -11.515 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.063 -9.794 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -1.932 -11.959 -2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.533 -11.143 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.787 -11.072 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -2.008 -9.349 0.161 1.00 0.00 H new ATOM 550 N GLY A 463 -4.765 -9.763 -5.773 1.00 0.00 N ATOM 551 CA GLY A 463 -5.506 -9.798 -7.065 1.00 0.00 C ATOM 552 C GLY A 463 -4.558 -9.424 -8.207 1.00 0.00 C ATOM 553 O GLY A 463 -3.561 -8.757 -8.005 1.00 0.00 O ATOM 0 H GLY A 463 -4.387 -8.852 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.920 -10.792 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.346 -9.104 -7.034 1.00 0.00 H new ATOM 557 N ILE A 464 -4.857 -9.849 -9.403 1.00 0.00 N ATOM 558 CA ILE A 464 -3.974 -9.521 -10.558 1.00 0.00 C ATOM 559 C ILE A 464 -3.657 -8.025 -10.562 1.00 0.00 C ATOM 560 O ILE A 464 -2.544 -7.615 -10.825 1.00 0.00 O ATOM 561 CB ILE A 464 -4.684 -9.888 -11.862 1.00 0.00 C ATOM 562 CG1 ILE A 464 -4.983 -11.388 -11.878 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.787 -9.534 -13.050 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.847 -11.722 -13.096 1.00 0.00 C ATOM 0 H ILE A 464 -5.677 -10.411 -9.631 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.047 -10.087 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.618 -9.331 -11.934 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.053 -11.955 -11.912 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.499 -11.677 -10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.293 -9.796 -13.979 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.576 -8.465 -13.041 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.852 -10.089 -12.978 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.061 -12.791 -13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.783 -11.165 -13.042 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.314 -11.448 -14.006 1.00 0.00 H new ATOM 576 N ASP A 465 -4.630 -7.206 -10.279 1.00 0.00 N ATOM 577 CA ASP A 465 -4.391 -5.733 -10.274 1.00 0.00 C ATOM 578 C ASP A 465 -3.472 -5.362 -9.110 1.00 0.00 C ATOM 579 O ASP A 465 -2.644 -4.479 -9.219 1.00 0.00 O ATOM 580 CB ASP A 465 -5.726 -5.003 -10.125 1.00 0.00 C ATOM 581 CG ASP A 465 -6.565 -5.214 -11.387 1.00 0.00 C ATOM 582 OD1 ASP A 465 -6.017 -5.689 -12.367 1.00 0.00 O ATOM 583 OD2 ASP A 465 -7.743 -4.898 -11.351 1.00 0.00 O ATOM 0 H ASP A 465 -5.582 -7.491 -10.050 1.00 0.00 H new ATOM 0 HA ASP A 465 -3.917 -5.441 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.262 -5.377 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -5.555 -3.939 -9.963 1.00 0.00 H new ATOM 588 N ASP A 466 -3.610 -6.025 -7.997 1.00 0.00 N ATOM 589 CA ASP A 466 -2.742 -5.704 -6.829 1.00 0.00 C ATOM 590 C ASP A 466 -1.311 -6.158 -7.118 1.00 0.00 C ATOM 591 O ASP A 466 -0.357 -5.477 -6.798 1.00 0.00 O ATOM 592 CB ASP A 466 -3.267 -6.428 -5.588 1.00 0.00 C ATOM 593 CG ASP A 466 -4.664 -5.904 -5.246 1.00 0.00 C ATOM 594 OD1 ASP A 466 -5.027 -4.863 -5.768 1.00 0.00 O ATOM 595 OD2 ASP A 466 -5.344 -6.551 -4.467 1.00 0.00 O ATOM 0 H ASP A 466 -4.285 -6.774 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.753 -4.628 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.304 -7.502 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.591 -6.269 -4.748 1.00 0.00 H new ATOM 600 N LEU A 467 -1.152 -7.303 -7.724 1.00 0.00 N ATOM 601 CA LEU A 467 0.219 -7.795 -8.033 1.00 0.00 C ATOM 602 C LEU A 467 0.726 -7.116 -9.308 1.00 0.00 C ATOM 603 O LEU A 467 1.909 -7.094 -9.582 1.00 0.00 O ATOM 604 CB LEU A 467 0.184 -9.310 -8.242 1.00 0.00 C ATOM 605 CG LEU A 467 -0.445 -9.980 -7.019 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.336 -11.500 -7.159 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.291 -9.531 -5.755 1.00 0.00 C ATOM 0 H LEU A 467 -1.911 -7.918 -8.018 1.00 0.00 H new ATOM 0 HA LEU A 467 0.886 -7.559 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.390 -9.551 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.194 -9.690 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 467 -1.495 -9.695 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.784 -11.979 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.860 -11.821 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 467 0.714 -11.785 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.157 -10.009 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 467 1.341 -9.816 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 467 0.215 -8.448 -5.655 1.00 0.00 H new ATOM 619 N ALA A 468 -0.161 -6.563 -10.090 1.00 0.00 N ATOM 620 CA ALA A 468 0.271 -5.887 -11.346 1.00 0.00 C ATOM 621 C ALA A 468 1.455 -4.968 -11.047 1.00 0.00 C ATOM 622 O ALA A 468 2.356 -4.818 -11.849 1.00 0.00 O ATOM 623 CB ALA A 468 -0.886 -5.058 -11.909 1.00 0.00 C ATOM 0 H ALA A 468 -1.166 -6.550 -9.913 1.00 0.00 H new ATOM 0 HA ALA A 468 0.567 -6.639 -12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.567 -4.565 -12.827 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.732 -5.712 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.184 -4.306 -11.178 1.00 0.00 H new ATOM 629 N ASP A 469 1.462 -4.354 -9.898 1.00 0.00 N ATOM 630 CA ASP A 469 2.589 -3.447 -9.546 1.00 0.00 C ATOM 631 C ASP A 469 3.870 -4.268 -9.396 1.00 0.00 C ATOM 632 O ASP A 469 4.964 -3.760 -9.539 1.00 0.00 O ATOM 633 CB ASP A 469 2.281 -2.737 -8.227 1.00 0.00 C ATOM 634 CG ASP A 469 3.369 -1.700 -7.941 1.00 0.00 C ATOM 635 OD1 ASP A 469 4.185 -1.470 -8.819 1.00 0.00 O ATOM 636 OD2 ASP A 469 3.366 -1.152 -6.851 1.00 0.00 O ATOM 0 H ASP A 469 0.736 -4.441 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 469 2.720 -2.705 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.306 -2.252 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.231 -3.462 -7.414 1.00 0.00 H new ATOM 641 N ILE A 470 3.742 -5.534 -9.109 1.00 0.00 N ATOM 642 CA ILE A 470 4.953 -6.385 -8.952 1.00 0.00 C ATOM 643 C ILE A 470 5.740 -6.395 -10.260 1.00 0.00 C ATOM 644 O ILE A 470 5.214 -6.103 -11.316 1.00 0.00 O ATOM 645 CB ILE A 470 4.533 -7.813 -8.599 1.00 0.00 C ATOM 646 CG1 ILE A 470 3.640 -7.787 -7.359 1.00 0.00 C ATOM 647 CG2 ILE A 470 5.777 -8.654 -8.310 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.333 -6.983 -6.259 1.00 0.00 C ATOM 0 H ILE A 470 2.852 -6.015 -8.977 1.00 0.00 H new ATOM 0 HA ILE A 470 5.578 -5.983 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 470 3.986 -8.248 -9.435 1.00 0.00 H new ATOM 0 HG12 ILE A 470 2.675 -7.340 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.444 -8.803 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 470 5.478 -9.672 -8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.417 -8.672 -9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.324 -8.219 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 470 3.701 -6.961 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.287 -7.450 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.506 -5.965 -6.607 1.00 0.00 H new ATOM 660 N GLU A 471 6.997 -6.727 -10.199 1.00 0.00 N ATOM 661 CA GLU A 471 7.821 -6.754 -11.441 1.00 0.00 C ATOM 662 C GLU A 471 8.043 -8.205 -11.875 1.00 0.00 C ATOM 663 O GLU A 471 8.284 -9.077 -11.064 1.00 0.00 O ATOM 664 CB GLU A 471 9.171 -6.084 -11.177 1.00 0.00 C ATOM 665 CG GLU A 471 9.959 -6.000 -12.486 1.00 0.00 C ATOM 666 CD GLU A 471 11.350 -5.426 -12.209 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.652 -5.190 -11.050 1.00 0.00 O ATOM 668 OE2 GLU A 471 12.090 -5.235 -13.159 1.00 0.00 O ATOM 0 H GLU A 471 7.491 -6.981 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 471 7.301 -6.215 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 471 9.020 -5.086 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.733 -6.653 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 471 10.045 -6.989 -12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 471 9.430 -5.370 -13.201 1.00 0.00 H new ATOM 675 N GLY A 472 7.964 -8.468 -13.151 1.00 0.00 N ATOM 676 CA GLY A 472 8.170 -9.859 -13.640 1.00 0.00 C ATOM 677 C GLY A 472 6.827 -10.593 -13.673 1.00 0.00 C ATOM 678 O GLY A 472 6.756 -11.761 -13.996 1.00 0.00 O ATOM 0 H GLY A 472 7.765 -7.778 -13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.613 -9.844 -14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.868 -10.385 -12.989 1.00 0.00 H new ATOM 682 N LEU A 473 5.762 -9.916 -13.342 1.00 0.00 N ATOM 683 CA LEU A 473 4.426 -10.579 -13.357 1.00 0.00 C ATOM 684 C LEU A 473 3.523 -9.881 -14.375 1.00 0.00 C ATOM 685 O LEU A 473 3.474 -8.668 -14.450 1.00 0.00 O ATOM 686 CB LEU A 473 3.798 -10.491 -11.966 1.00 0.00 C ATOM 687 CG LEU A 473 4.180 -11.734 -11.158 1.00 0.00 C ATOM 688 CD1 LEU A 473 3.789 -11.532 -9.692 1.00 0.00 C ATOM 689 CD2 LEU A 473 3.444 -12.953 -11.719 1.00 0.00 C ATOM 0 H LEU A 473 5.758 -8.935 -13.062 1.00 0.00 H new ATOM 0 HA LEU A 473 4.541 -11.627 -13.635 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.142 -9.592 -11.455 1.00 0.00 H new ATOM 0 HB3 LEU A 473 2.714 -10.416 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 473 5.256 -11.895 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 473 4.061 -12.417 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 473 4.313 -10.664 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 473 2.713 -11.370 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 473 3.716 -13.838 -11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 473 2.368 -12.792 -11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 473 3.723 -13.098 -12.763 1.00 0.00 H new ATOM 701 N THR A 474 2.807 -10.636 -15.162 1.00 0.00 N ATOM 702 CA THR A 474 1.910 -10.017 -16.177 1.00 0.00 C ATOM 703 C THR A 474 0.455 -10.126 -15.713 1.00 0.00 C ATOM 704 O THR A 474 0.151 -10.786 -14.740 1.00 0.00 O ATOM 705 CB THR A 474 2.072 -10.748 -17.511 1.00 0.00 C ATOM 706 OG1 THR A 474 2.921 -11.873 -17.333 1.00 0.00 O ATOM 707 CG2 THR A 474 2.687 -9.801 -18.542 1.00 0.00 C ATOM 0 H THR A 474 2.805 -11.656 -15.146 1.00 0.00 H new ATOM 0 HA THR A 474 2.174 -8.966 -16.300 1.00 0.00 H new ATOM 0 HB THR A 474 1.096 -11.081 -17.864 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.024 -12.343 -18.187 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.802 -10.323 -19.492 1.00 0.00 H new ATOM 0 HG22 THR A 474 2.035 -8.938 -18.678 1.00 0.00 H new ATOM 0 HG23 THR A 474 3.663 -9.466 -18.192 1.00 0.00 H new ATOM 715 N ASP A 475 -0.445 -9.484 -16.408 1.00 0.00 N ATOM 716 CA ASP A 475 -1.881 -9.550 -16.013 1.00 0.00 C ATOM 717 C ASP A 475 -2.381 -10.989 -16.150 1.00 0.00 C ATOM 718 O ASP A 475 -3.122 -11.480 -15.321 1.00 0.00 O ATOM 719 CB ASP A 475 -2.702 -8.635 -16.923 1.00 0.00 C ATOM 720 CG ASP A 475 -2.344 -7.175 -16.635 1.00 0.00 C ATOM 721 OD1 ASP A 475 -1.667 -6.937 -15.649 1.00 0.00 O ATOM 722 OD2 ASP A 475 -2.753 -6.322 -17.406 1.00 0.00 O ATOM 0 H ASP A 475 -0.248 -8.917 -17.232 1.00 0.00 H new ATOM 0 HA ASP A 475 -1.990 -9.225 -14.978 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.503 -8.870 -17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -3.767 -8.799 -16.757 1.00 0.00 H new ATOM 727 N GLU A 476 -1.979 -11.670 -17.187 1.00 0.00 N ATOM 728 CA GLU A 476 -2.430 -13.077 -17.373 1.00 0.00 C ATOM 729 C GLU A 476 -1.649 -13.987 -16.424 1.00 0.00 C ATOM 730 O GLU A 476 -2.207 -14.846 -15.771 1.00 0.00 O ATOM 731 CB GLU A 476 -2.179 -13.509 -18.818 1.00 0.00 C ATOM 732 CG GLU A 476 -2.712 -14.929 -19.026 1.00 0.00 C ATOM 733 CD GLU A 476 -4.240 -14.914 -18.955 1.00 0.00 C ATOM 734 OE1 GLU A 476 -4.816 -13.869 -19.215 1.00 0.00 O ATOM 735 OE2 GLU A 476 -4.809 -15.946 -18.642 1.00 0.00 O ATOM 0 H GLU A 476 -1.358 -11.313 -17.913 1.00 0.00 H new ATOM 0 HA GLU A 476 -3.496 -13.150 -17.155 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -2.670 -12.820 -19.505 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -1.112 -13.473 -19.039 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -2.386 -15.314 -19.992 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.308 -15.596 -18.264 1.00 0.00 H new ATOM 742 N LYS A 477 -0.359 -13.802 -16.338 1.00 0.00 N ATOM 743 CA LYS A 477 0.456 -14.654 -15.426 1.00 0.00 C ATOM 744 C LYS A 477 -0.005 -14.434 -13.986 1.00 0.00 C ATOM 745 O LYS A 477 -0.055 -15.352 -13.191 1.00 0.00 O ATOM 746 CB LYS A 477 1.933 -14.275 -15.556 1.00 0.00 C ATOM 747 CG LYS A 477 2.787 -15.269 -14.767 1.00 0.00 C ATOM 748 CD LYS A 477 4.253 -14.835 -14.819 1.00 0.00 C ATOM 749 CE LYS A 477 5.131 -15.923 -14.195 1.00 0.00 C ATOM 750 NZ LYS A 477 5.700 -16.780 -15.273 1.00 0.00 N ATOM 0 H LYS A 477 0.165 -13.099 -16.859 1.00 0.00 H new ATOM 0 HA LYS A 477 0.329 -15.703 -15.694 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.229 -14.278 -16.605 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.094 -13.264 -15.182 1.00 0.00 H new ATOM 0 HG2 LYS A 477 2.447 -15.316 -13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 477 2.678 -16.270 -15.184 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.554 -14.658 -15.851 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.384 -13.895 -14.283 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.934 -15.469 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.543 -16.529 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.297 -17.519 -14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 4.927 -17.223 -15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.274 -16.196 -15.914 1.00 0.00 H new ATOM 764 N ALA A 478 -0.345 -13.222 -13.645 1.00 0.00 N ATOM 765 CA ALA A 478 -0.809 -12.939 -12.257 1.00 0.00 C ATOM 766 C ALA A 478 -2.099 -13.715 -11.993 1.00 0.00 C ATOM 767 O ALA A 478 -2.291 -14.280 -10.935 1.00 0.00 O ATOM 768 CB ALA A 478 -1.070 -11.440 -12.099 1.00 0.00 C ATOM 0 H ALA A 478 -0.322 -12.414 -14.268 1.00 0.00 H new ATOM 0 HA ALA A 478 -0.044 -13.246 -11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.409 -11.235 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.150 -10.888 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.837 -11.128 -12.808 1.00 0.00 H new ATOM 774 N GLY A 479 -2.985 -13.755 -12.951 1.00 0.00 N ATOM 775 CA GLY A 479 -4.257 -14.503 -12.754 1.00 0.00 C ATOM 776 C GLY A 479 -3.936 -15.981 -12.543 1.00 0.00 C ATOM 777 O GLY A 479 -4.586 -16.668 -11.780 1.00 0.00 O ATOM 0 H GLY A 479 -2.882 -13.303 -13.859 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.797 -14.108 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.905 -14.378 -13.621 1.00 0.00 H new ATOM 781 N ALA A 480 -2.923 -16.471 -13.203 1.00 0.00 N ATOM 782 CA ALA A 480 -2.543 -17.901 -13.034 1.00 0.00 C ATOM 783 C ALA A 480 -1.736 -18.048 -11.745 1.00 0.00 C ATOM 784 O ALA A 480 -2.081 -18.815 -10.867 1.00 0.00 O ATOM 785 CB ALA A 480 -1.692 -18.347 -14.224 1.00 0.00 C ATOM 0 H ALA A 480 -2.342 -15.942 -13.853 1.00 0.00 H new ATOM 0 HA ALA A 480 -3.439 -18.519 -12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -1.414 -19.394 -14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -2.264 -18.230 -15.145 1.00 0.00 H new ATOM 0 HB3 ALA A 480 -0.791 -17.736 -14.276 1.00 0.00 H new ATOM 791 N LEU A 481 -0.668 -17.309 -11.619 1.00 0.00 N ATOM 792 CA LEU A 481 0.156 -17.394 -10.382 1.00 0.00 C ATOM 793 C LEU A 481 -0.759 -17.267 -9.165 1.00 0.00 C ATOM 794 O LEU A 481 -0.819 -18.143 -8.323 1.00 0.00 O ATOM 795 CB LEU A 481 1.170 -16.249 -10.371 1.00 0.00 C ATOM 796 CG LEU A 481 2.187 -16.470 -9.247 1.00 0.00 C ATOM 797 CD1 LEU A 481 2.653 -17.927 -9.256 1.00 0.00 C ATOM 798 CD2 LEU A 481 3.391 -15.553 -9.462 1.00 0.00 C ATOM 0 H LEU A 481 -0.331 -16.650 -12.320 1.00 0.00 H new ATOM 0 HA LEU A 481 0.682 -18.348 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.682 -16.195 -11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 481 0.657 -15.298 -10.229 1.00 0.00 H new ATOM 0 HG LEU A 481 1.721 -16.243 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 481 3.377 -18.083 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.797 -18.584 -9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.118 -18.154 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 481 4.115 -15.710 -8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 481 3.855 -15.781 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 481 3.063 -14.514 -9.455 1.00 0.00 H new ATOM 810 N ILE A 482 -1.480 -16.184 -9.072 1.00 0.00 N ATOM 811 CA ILE A 482 -2.399 -15.997 -7.916 1.00 0.00 C ATOM 812 C ILE A 482 -3.359 -17.183 -7.845 1.00 0.00 C ATOM 813 O ILE A 482 -3.715 -17.646 -6.778 1.00 0.00 O ATOM 814 CB ILE A 482 -3.197 -14.705 -8.095 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.238 -13.515 -8.157 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.148 -14.529 -6.909 1.00 0.00 C ATOM 817 CD1 ILE A 482 -3.042 -12.227 -8.336 1.00 0.00 C ATOM 0 H ILE A 482 -1.472 -15.420 -9.748 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.819 -15.935 -6.995 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.770 -14.757 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.645 -13.463 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.539 -13.639 -8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.718 -13.609 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.832 -15.376 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.572 -14.476 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.362 -11.377 -8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.616 -12.282 -9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.723 -12.103 -7.494 1.00 0.00 H new ATOM 829 N MET A 483 -3.778 -17.684 -8.974 1.00 0.00 N ATOM 830 CA MET A 483 -4.708 -18.846 -8.972 1.00 0.00 C ATOM 831 C MET A 483 -3.925 -20.109 -8.617 1.00 0.00 C ATOM 832 O MET A 483 -4.459 -21.048 -8.062 1.00 0.00 O ATOM 833 CB MET A 483 -5.333 -19.002 -10.358 1.00 0.00 C ATOM 834 CG MET A 483 -6.683 -18.283 -10.389 1.00 0.00 C ATOM 835 SD MET A 483 -7.575 -18.740 -11.896 1.00 0.00 S ATOM 836 CE MET A 483 -6.350 -18.121 -13.075 1.00 0.00 C ATOM 0 H MET A 483 -3.516 -17.339 -9.897 1.00 0.00 H new ATOM 0 HA MET A 483 -5.498 -18.685 -8.239 1.00 0.00 H new ATOM 0 HB2 MET A 483 -4.670 -18.587 -11.117 1.00 0.00 H new ATOM 0 HB3 MET A 483 -5.465 -20.058 -10.593 1.00 0.00 H new ATOM 0 HG2 MET A 483 -7.270 -18.551 -9.511 1.00 0.00 H new ATOM 0 HG3 MET A 483 -6.533 -17.204 -10.355 1.00 0.00 H new ATOM 0 HE1 MET A 483 -6.738 -18.220 -14.089 1.00 0.00 H new ATOM 0 HE2 MET A 483 -6.143 -17.071 -12.867 1.00 0.00 H new ATOM 0 HE3 MET A 483 -5.430 -18.698 -12.981 1.00 0.00 H new ATOM 846 N ALA A 484 -2.656 -20.133 -8.920 1.00 0.00 N ATOM 847 CA ALA A 484 -1.836 -21.330 -8.587 1.00 0.00 C ATOM 848 C ALA A 484 -1.735 -21.441 -7.068 1.00 0.00 C ATOM 849 O ALA A 484 -1.866 -22.508 -6.500 1.00 0.00 O ATOM 850 CB ALA A 484 -0.437 -21.174 -9.188 1.00 0.00 C ATOM 0 H ALA A 484 -2.153 -19.376 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 484 -2.299 -22.228 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.164 -22.050 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 484 -0.515 -21.077 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.038 -20.283 -8.777 1.00 0.00 H new ATOM 856 N ALA A 485 -1.522 -20.339 -6.407 1.00 0.00 N ATOM 857 CA ALA A 485 -1.434 -20.365 -4.923 1.00 0.00 C ATOM 858 C ALA A 485 -2.837 -20.580 -4.360 1.00 0.00 C ATOM 859 O ALA A 485 -3.038 -21.324 -3.423 1.00 0.00 O ATOM 860 CB ALA A 485 -0.880 -19.033 -4.417 1.00 0.00 C ATOM 0 H ALA A 485 -1.405 -19.419 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.772 -21.169 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.817 -19.055 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.113 -18.870 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.541 -18.223 -4.726 1.00 0.00 H new ATOM 866 N ARG A 486 -3.809 -19.939 -4.945 1.00 0.00 N ATOM 867 CA ARG A 486 -5.208 -20.107 -4.471 1.00 0.00 C ATOM 868 C ARG A 486 -5.616 -21.565 -4.671 1.00 0.00 C ATOM 869 O ARG A 486 -6.257 -22.167 -3.833 1.00 0.00 O ATOM 870 CB ARG A 486 -6.131 -19.206 -5.292 1.00 0.00 C ATOM 871 CG ARG A 486 -5.870 -17.746 -4.926 1.00 0.00 C ATOM 872 CD ARG A 486 -6.497 -16.833 -5.982 1.00 0.00 C ATOM 873 NE ARG A 486 -6.416 -15.417 -5.524 1.00 0.00 N ATOM 874 CZ ARG A 486 -7.453 -14.633 -5.643 1.00 0.00 C ATOM 875 NH1 ARG A 486 -8.015 -14.467 -6.809 1.00 0.00 N ATOM 876 NH2 ARG A 486 -7.926 -14.014 -4.596 1.00 0.00 N ATOM 0 H ARG A 486 -3.693 -19.303 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.283 -19.838 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.957 -19.362 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -7.173 -19.461 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -6.290 -17.526 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.797 -17.562 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -5.978 -16.949 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.537 -17.113 -6.150 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.551 -15.061 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.644 -14.950 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -8.825 -13.854 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -7.485 -14.143 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -8.736 -13.401 -4.689 1.00 0.00 H new ATOM 890 N ASN A 487 -5.238 -22.133 -5.780 1.00 0.00 N ATOM 891 CA ASN A 487 -5.586 -23.556 -6.051 1.00 0.00 C ATOM 892 C ASN A 487 -4.918 -24.448 -5.002 1.00 0.00 C ATOM 893 O ASN A 487 -5.449 -25.466 -4.608 1.00 0.00 O ATOM 894 CB ASN A 487 -5.083 -23.947 -7.443 1.00 0.00 C ATOM 895 CG ASN A 487 -5.960 -23.287 -8.509 1.00 0.00 C ATOM 896 OD1 ASN A 487 -7.169 -23.267 -8.390 1.00 0.00 O ATOM 897 ND2 ASN A 487 -5.398 -22.744 -9.557 1.00 0.00 N ATOM 0 H ASN A 487 -4.701 -21.672 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.668 -23.683 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -4.046 -23.635 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -5.106 -25.031 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.974 -22.304 -10.274 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -4.383 -22.760 -9.657 1.00 0.00 H new ATOM 904 N ILE A 488 -3.752 -24.072 -4.552 1.00 0.00 N ATOM 905 CA ILE A 488 -3.045 -24.898 -3.533 1.00 0.00 C ATOM 906 C ILE A 488 -3.550 -24.537 -2.136 1.00 0.00 C ATOM 907 O ILE A 488 -3.773 -25.395 -1.305 1.00 0.00 O ATOM 908 CB ILE A 488 -1.539 -24.637 -3.621 1.00 0.00 C ATOM 909 CG1 ILE A 488 -1.036 -25.018 -5.016 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.812 -25.479 -2.569 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.455 -24.697 -5.129 1.00 0.00 C ATOM 0 H ILE A 488 -3.259 -23.229 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.241 -25.953 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.342 -23.580 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -1.205 -26.080 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.594 -24.472 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.260 -25.293 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.170 -25.208 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -1.008 -26.536 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 488 0.811 -24.969 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.611 -23.630 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.007 -25.263 -4.378 1.00 0.00 H new ATOM 923 N CYS A 489 -3.729 -23.275 -1.869 1.00 0.00 N ATOM 924 CA CYS A 489 -4.216 -22.859 -0.522 1.00 0.00 C ATOM 925 C CYS A 489 -5.735 -23.025 -0.447 1.00 0.00 C ATOM 926 O CYS A 489 -6.285 -23.335 0.592 1.00 0.00 O ATOM 927 CB CYS A 489 -3.855 -21.393 -0.279 1.00 0.00 C ATOM 928 SG CYS A 489 -2.194 -21.289 0.433 1.00 0.00 S ATOM 0 H CYS A 489 -3.560 -22.512 -2.524 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.746 -23.483 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.896 -20.837 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.580 -20.936 0.394 1.00 0.00 H new ATOM 0 HG CYS A 489 -1.488 -20.428 -0.237 1.00 0.00 H new ATOM 934 N TRP A 490 -6.419 -22.820 -1.537 1.00 0.00 N ATOM 935 CA TRP A 490 -7.904 -22.964 -1.526 1.00 0.00 C ATOM 936 C TRP A 490 -8.311 -24.171 -2.372 1.00 0.00 C ATOM 937 O TRP A 490 -8.582 -25.238 -1.858 1.00 0.00 O ATOM 938 CB TRP A 490 -8.546 -21.698 -2.101 1.00 0.00 C ATOM 939 CG TRP A 490 -8.128 -20.512 -1.294 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.514 -20.569 -0.090 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.283 -19.098 -1.609 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.280 -19.279 0.353 1.00 0.00 N ATOM 943 CE2 TRP A 490 -7.736 -18.338 -0.549 1.00 0.00 C ATOM 944 CE3 TRP A 490 -8.838 -18.408 -2.702 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -7.741 -16.942 -0.572 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -8.844 -17.004 -2.728 1.00 0.00 C ATOM 947 CH2 TRP A 490 -8.297 -16.273 -1.666 1.00 0.00 C ATOM 0 H TRP A 490 -6.015 -22.559 -2.437 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.244 -23.111 -0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.247 -21.567 -3.141 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.632 -21.792 -2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.250 -21.473 0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -6.826 -19.051 1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.262 -18.962 -3.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -7.318 -16.383 0.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -9.273 -16.485 -3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -8.305 -15.193 -1.692 1.00 0.00 H new