USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=5 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= -2.9! C(o=-4.8!,f=-2.9!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 CYS SG : rot 180:sc= 0.0553 USER MOD Single : A 455 THR OG1 : rot -62:sc= -1.79! USER MOD Single : A 462 GLN : amide:sc= -0.769! K(o=-0.77!,f=-1.9) USER MOD Single : A 474 THR OG1 : rot 180:sc= -2.46! 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= -4.02! C(o=-4!,f=-4.5!) USER MOD Single : A 489 CYS SG : rot -40:sc= -10.1! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.977 -12.254 5.232 1.00 0.00 N ATOM 35 CA LYS A 429 10.503 -13.201 4.210 1.00 0.00 C ATOM 36 C LYS A 429 9.356 -14.061 3.676 1.00 0.00 C ATOM 37 O LYS A 429 8.395 -14.327 4.368 1.00 0.00 O ATOM 38 CB LYS A 429 11.569 -14.096 4.843 1.00 0.00 C ATOM 39 CG LYS A 429 12.958 -13.581 4.459 1.00 0.00 C ATOM 40 CD LYS A 429 13.997 -14.134 5.435 1.00 0.00 C ATOM 41 CE LYS A 429 15.401 -13.906 4.870 1.00 0.00 C ATOM 42 NZ LYS A 429 15.898 -15.166 4.247 1.00 0.00 N ATOM 0 HA LYS A 429 10.947 -12.641 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.458 -14.101 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 429 11.444 -15.125 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 429 13.202 -13.886 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 429 12.971 -12.491 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.899 -13.643 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 429 13.828 -15.198 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 429 15.381 -13.106 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 429 16.077 -13.589 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 16.852 -15.011 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 15.932 -15.918 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 15.257 -15.449 3.478 1.00 0.00 H new ATOM 56 N PRO A 430 9.466 -14.501 2.415 1.00 0.00 N ATOM 57 CA PRO A 430 8.440 -15.331 1.771 1.00 0.00 C ATOM 58 C PRO A 430 8.406 -16.751 2.346 1.00 0.00 C ATOM 59 O PRO A 430 9.420 -17.305 2.720 1.00 0.00 O ATOM 60 CB PRO A 430 8.876 -15.369 0.308 1.00 0.00 C ATOM 61 CG PRO A 430 10.347 -15.125 0.343 1.00 0.00 C ATOM 62 CD PRO A 430 10.602 -14.223 1.518 1.00 0.00 C ATOM 0 HA PRO A 430 7.438 -14.929 1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.645 -16.331 -0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.362 -14.607 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.893 -16.062 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.685 -14.661 -0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.556 -14.446 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.632 -13.175 1.221 1.00 0.00 H new ATOM 70 N ALA A 431 7.243 -17.342 2.422 1.00 0.00 N ATOM 71 CA ALA A 431 7.142 -18.721 2.977 1.00 0.00 C ATOM 72 C ALA A 431 7.619 -19.733 1.935 1.00 0.00 C ATOM 73 O ALA A 431 7.569 -19.489 0.745 1.00 0.00 O ATOM 74 CB ALA A 431 5.686 -19.017 3.345 1.00 0.00 C ATOM 0 H ALA A 431 6.360 -16.929 2.124 1.00 0.00 H new ATOM 0 HA ALA A 431 7.767 -18.798 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.611 -20.026 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.346 -18.299 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 431 5.062 -18.937 2.455 1.00 0.00 H new ATOM 80 N ASP A 432 8.091 -20.867 2.376 1.00 0.00 N ATOM 81 CA ASP A 432 8.581 -21.900 1.422 1.00 0.00 C ATOM 82 C ASP A 432 7.480 -22.256 0.419 1.00 0.00 C ATOM 83 O ASP A 432 7.752 -22.608 -0.711 1.00 0.00 O ATOM 84 CB ASP A 432 8.980 -23.157 2.198 1.00 0.00 C ATOM 85 CG ASP A 432 7.886 -23.506 3.210 1.00 0.00 C ATOM 86 OD1 ASP A 432 6.934 -22.750 3.311 1.00 0.00 O ATOM 87 OD2 ASP A 432 8.017 -24.527 3.865 1.00 0.00 O ATOM 0 H ASP A 432 8.158 -21.123 3.361 1.00 0.00 H new ATOM 0 HA ASP A 432 9.442 -21.506 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 432 9.131 -23.989 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.927 -22.993 2.713 1.00 0.00 H new ATOM 92 N ASP A 433 6.239 -22.172 0.815 1.00 0.00 N ATOM 93 CA ASP A 433 5.140 -22.514 -0.130 1.00 0.00 C ATOM 94 C ASP A 433 5.223 -21.602 -1.352 1.00 0.00 C ATOM 95 O ASP A 433 5.040 -22.029 -2.475 1.00 0.00 O ATOM 96 CB ASP A 433 3.787 -22.323 0.561 1.00 0.00 C ATOM 97 CG ASP A 433 3.686 -23.265 1.761 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.500 -24.168 1.851 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.795 -23.068 2.571 1.00 0.00 O ATOM 0 H ASP A 433 5.940 -21.883 1.747 1.00 0.00 H new ATOM 0 HA ASP A 433 5.240 -23.554 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.677 -21.289 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 433 2.977 -22.524 -0.141 1.00 0.00 H new ATOM 104 N LEU A 434 5.501 -20.348 -1.139 1.00 0.00 N ATOM 105 CA LEU A 434 5.602 -19.399 -2.283 1.00 0.00 C ATOM 106 C LEU A 434 6.936 -19.608 -2.992 1.00 0.00 C ATOM 107 O LEU A 434 7.002 -19.759 -4.196 1.00 0.00 O ATOM 108 CB LEU A 434 5.525 -17.967 -1.752 1.00 0.00 C ATOM 109 CG LEU A 434 5.322 -16.993 -2.916 1.00 0.00 C ATOM 110 CD1 LEU A 434 4.266 -17.547 -3.876 1.00 0.00 C ATOM 111 CD2 LEU A 434 4.852 -15.641 -2.374 1.00 0.00 C ATOM 0 H LEU A 434 5.663 -19.937 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 434 4.786 -19.574 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.703 -17.876 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.440 -17.719 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 434 6.265 -16.868 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 434 4.125 -16.851 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 434 4.597 -18.510 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 434 3.323 -17.675 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 434 4.707 -14.947 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 434 3.910 -15.770 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 434 5.603 -15.241 -1.693 1.00 0.00 H new ATOM 123 N LEU A 435 7.999 -19.613 -2.246 1.00 0.00 N ATOM 124 CA LEU A 435 9.346 -19.809 -2.852 1.00 0.00 C ATOM 125 C LEU A 435 9.364 -21.096 -3.678 1.00 0.00 C ATOM 126 O LEU A 435 9.894 -21.139 -4.771 1.00 0.00 O ATOM 127 CB LEU A 435 10.389 -19.915 -1.738 1.00 0.00 C ATOM 128 CG LEU A 435 10.633 -18.534 -1.131 1.00 0.00 C ATOM 129 CD1 LEU A 435 10.877 -18.675 0.372 1.00 0.00 C ATOM 130 CD2 LEU A 435 11.859 -17.900 -1.789 1.00 0.00 C ATOM 0 H LEU A 435 7.996 -19.489 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 435 9.575 -18.962 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 435 10.045 -20.606 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.320 -20.318 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 435 9.761 -17.902 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 435 11.051 -17.691 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 435 10.004 -19.129 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.750 -19.306 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 435 12.035 -16.915 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.731 -18.532 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 435 11.686 -17.801 -2.861 1.00 0.00 H new ATOM 142 N ASN A 436 8.801 -22.149 -3.157 1.00 0.00 N ATOM 143 CA ASN A 436 8.796 -23.441 -3.901 1.00 0.00 C ATOM 144 C ASN A 436 7.619 -23.482 -4.877 1.00 0.00 C ATOM 145 O ASN A 436 7.421 -24.452 -5.581 1.00 0.00 O ATOM 146 CB ASN A 436 8.668 -24.595 -2.908 1.00 0.00 C ATOM 147 CG ASN A 436 9.793 -24.504 -1.875 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.499 -24.241 -0.633 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 10.951 -24.671 -2.204 1.00 0.00 N flip ATOM 0 H ASN A 436 8.343 -22.172 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 436 9.727 -23.533 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.699 -24.556 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.718 -25.549 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.180 -24.877 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 436 11.694 -24.605 -1.508 1.00 0.00 H new ATOM 156 N LEU A 437 6.838 -22.441 -4.931 1.00 0.00 N ATOM 157 CA LEU A 437 5.681 -22.434 -5.871 1.00 0.00 C ATOM 158 C LEU A 437 6.176 -22.096 -7.279 1.00 0.00 C ATOM 159 O LEU A 437 6.824 -21.091 -7.496 1.00 0.00 O ATOM 160 CB LEU A 437 4.652 -21.393 -5.432 1.00 0.00 C ATOM 161 CG LEU A 437 3.443 -21.459 -6.370 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.010 -22.917 -6.543 1.00 0.00 C ATOM 163 CD2 LEU A 437 2.287 -20.653 -5.778 1.00 0.00 C ATOM 0 H LEU A 437 6.949 -21.597 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 437 5.213 -23.419 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.342 -21.581 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.092 -20.396 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 437 3.716 -21.041 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.150 -22.964 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.832 -23.493 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.740 -23.334 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.429 -20.702 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.014 -21.067 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 437 2.593 -19.614 -5.656 1.00 0.00 H new ATOM 175 N GLU A 438 5.878 -22.930 -8.234 1.00 0.00 N ATOM 176 CA GLU A 438 6.332 -22.662 -9.626 1.00 0.00 C ATOM 177 C GLU A 438 5.797 -21.309 -10.091 1.00 0.00 C ATOM 178 O GLU A 438 4.660 -20.960 -9.841 1.00 0.00 O ATOM 179 CB GLU A 438 5.819 -23.765 -10.548 1.00 0.00 C ATOM 180 CG GLU A 438 6.565 -25.057 -10.228 1.00 0.00 C ATOM 181 CD GLU A 438 6.123 -26.160 -11.192 1.00 0.00 C ATOM 182 OE1 GLU A 438 5.247 -25.897 -12.000 1.00 0.00 O ATOM 183 OE2 GLU A 438 6.666 -27.248 -11.105 1.00 0.00 O ATOM 0 H GLU A 438 5.339 -23.787 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 438 7.421 -22.643 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 438 4.747 -23.904 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 438 5.973 -23.488 -11.591 1.00 0.00 H new ATOM 0 HG2 GLU A 438 7.640 -24.898 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 438 6.366 -25.358 -9.200 1.00 0.00 H new ATOM 190 N GLY A 439 6.614 -20.541 -10.756 1.00 0.00 N ATOM 191 CA GLY A 439 6.161 -19.204 -11.227 1.00 0.00 C ATOM 192 C GLY A 439 6.681 -18.143 -10.257 1.00 0.00 C ATOM 193 O GLY A 439 6.700 -16.966 -10.557 1.00 0.00 O ATOM 0 H GLY A 439 7.576 -20.782 -10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 439 6.533 -19.011 -12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 439 5.073 -19.169 -11.278 1.00 0.00 H new ATOM 197 N VAL A 440 7.103 -18.557 -9.093 1.00 0.00 N ATOM 198 CA VAL A 440 7.625 -17.579 -8.096 1.00 0.00 C ATOM 199 C VAL A 440 9.047 -17.975 -7.695 1.00 0.00 C ATOM 200 O VAL A 440 9.264 -18.977 -7.042 1.00 0.00 O ATOM 201 CB VAL A 440 6.723 -17.580 -6.858 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.310 -16.647 -5.798 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.324 -17.094 -7.245 1.00 0.00 C ATOM 0 H VAL A 440 7.109 -19.531 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 440 7.635 -16.581 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 440 6.659 -18.592 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 440 6.668 -16.648 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.306 -16.992 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.375 -15.636 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.682 -17.095 -6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.388 -16.083 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.904 -17.758 -8.000 1.00 0.00 H new ATOM 213 N ASP A 441 10.020 -17.196 -8.084 1.00 0.00 N ATOM 214 CA ASP A 441 11.429 -17.529 -7.728 1.00 0.00 C ATOM 215 C ASP A 441 11.777 -16.893 -6.380 1.00 0.00 C ATOM 216 O ASP A 441 11.025 -16.108 -5.840 1.00 0.00 O ATOM 217 CB ASP A 441 12.372 -16.985 -8.804 1.00 0.00 C ATOM 218 CG ASP A 441 11.975 -17.549 -10.170 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.303 -18.567 -10.197 1.00 0.00 O ATOM 220 OD2 ASP A 441 12.352 -16.954 -11.166 1.00 0.00 O ATOM 0 H ASP A 441 9.900 -16.344 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 441 11.540 -18.611 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.328 -15.896 -8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.401 -17.259 -8.572 1.00 0.00 H new ATOM 225 N ARG A 442 12.916 -17.225 -5.837 1.00 0.00 N ATOM 226 CA ARG A 442 13.316 -16.637 -4.530 1.00 0.00 C ATOM 227 C ARG A 442 13.302 -15.114 -4.641 1.00 0.00 C ATOM 228 O ARG A 442 12.948 -14.413 -3.715 1.00 0.00 O ATOM 229 CB ARG A 442 14.726 -17.113 -4.170 1.00 0.00 C ATOM 230 CG ARG A 442 15.192 -16.422 -2.888 1.00 0.00 C ATOM 231 CD ARG A 442 16.636 -16.834 -2.587 1.00 0.00 C ATOM 232 NE ARG A 442 16.998 -16.414 -1.202 1.00 0.00 N ATOM 233 CZ ARG A 442 16.474 -17.028 -0.176 1.00 0.00 C ATOM 234 NH1 ARG A 442 15.820 -18.145 -0.345 1.00 0.00 N ATOM 235 NH2 ARG A 442 16.606 -16.525 1.022 1.00 0.00 N ATOM 0 H ARG A 442 13.586 -17.878 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 442 12.619 -16.953 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 442 14.731 -18.194 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.414 -16.891 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.126 -15.340 -3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.543 -16.696 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 442 16.746 -17.913 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.314 -16.374 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 442 17.655 -15.647 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 442 15.718 -18.540 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 442 15.411 -18.623 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 442 17.118 -15.653 1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 442 16.197 -17.004 1.824 1.00 0.00 H new ATOM 249 N ASP A 443 13.690 -14.599 -5.774 1.00 0.00 N ATOM 250 CA ASP A 443 13.708 -13.121 -5.958 1.00 0.00 C ATOM 251 C ASP A 443 12.275 -12.582 -5.933 1.00 0.00 C ATOM 252 O ASP A 443 11.953 -11.694 -5.169 1.00 0.00 O ATOM 253 CB ASP A 443 14.355 -12.780 -7.298 1.00 0.00 C ATOM 254 CG ASP A 443 15.865 -13.013 -7.209 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.346 -13.231 -6.109 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.514 -12.970 -8.241 1.00 0.00 O ATOM 0 H ASP A 443 13.996 -15.140 -6.583 1.00 0.00 H new ATOM 0 HA ASP A 443 14.281 -12.665 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 443 13.927 -13.397 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.151 -11.741 -7.559 1.00 0.00 H new ATOM 261 N LEU A 444 11.408 -13.110 -6.757 1.00 0.00 N ATOM 262 CA LEU A 444 10.001 -12.619 -6.764 1.00 0.00 C ATOM 263 C LEU A 444 9.400 -12.827 -5.376 1.00 0.00 C ATOM 264 O LEU A 444 8.520 -12.104 -4.952 1.00 0.00 O ATOM 265 CB LEU A 444 9.192 -13.408 -7.797 1.00 0.00 C ATOM 266 CG LEU A 444 7.919 -12.640 -8.156 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.373 -13.157 -9.489 1.00 0.00 C ATOM 268 CD2 LEU A 444 6.870 -12.849 -7.061 1.00 0.00 C ATOM 0 H LEU A 444 11.613 -13.856 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 444 9.977 -11.560 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.792 -13.574 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 444 8.935 -14.389 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 444 8.147 -11.578 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.466 -12.611 -9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.119 -13.010 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.145 -14.219 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 444 5.963 -12.302 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.641 -13.911 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.258 -12.483 -6.110 1.00 0.00 H new ATOM 280 N ALA A 445 9.880 -13.805 -4.661 1.00 0.00 N ATOM 281 CA ALA A 445 9.350 -14.059 -3.296 1.00 0.00 C ATOM 282 C ALA A 445 9.679 -12.860 -2.406 1.00 0.00 C ATOM 283 O ALA A 445 8.959 -12.544 -1.480 1.00 0.00 O ATOM 284 CB ALA A 445 9.998 -15.320 -2.723 1.00 0.00 C ATOM 0 H ALA A 445 10.618 -14.440 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 445 8.270 -14.200 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.609 -15.506 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.769 -16.171 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.078 -15.183 -2.673 1.00 0.00 H new ATOM 290 N PHE A 446 10.760 -12.182 -2.688 1.00 0.00 N ATOM 291 CA PHE A 446 11.129 -10.998 -1.865 1.00 0.00 C ATOM 292 C PHE A 446 10.191 -9.842 -2.214 1.00 0.00 C ATOM 293 O PHE A 446 9.648 -9.185 -1.347 1.00 0.00 O ATOM 294 CB PHE A 446 12.577 -10.599 -2.164 1.00 0.00 C ATOM 295 CG PHE A 446 13.509 -11.690 -1.688 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.227 -12.386 -0.507 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.655 -12.005 -2.429 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.091 -13.396 -0.065 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.519 -13.015 -1.988 1.00 0.00 C ATOM 300 CZ PHE A 446 15.236 -13.711 -0.806 1.00 0.00 C ATOM 0 H PHE A 446 11.401 -12.398 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 446 11.038 -11.238 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.707 -10.436 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.816 -9.659 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 446 12.343 -12.144 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.872 -11.469 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 446 13.874 -13.932 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 446 16.403 -13.257 -2.559 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.901 -14.491 -0.466 1.00 0.00 H new ATOM 310 N LYS A 447 9.983 -9.599 -3.480 1.00 0.00 N ATOM 311 CA LYS A 447 9.066 -8.497 -3.888 1.00 0.00 C ATOM 312 C LYS A 447 7.656 -8.820 -3.395 1.00 0.00 C ATOM 313 O LYS A 447 6.870 -7.942 -3.097 1.00 0.00 O ATOM 314 CB LYS A 447 9.051 -8.384 -5.414 1.00 0.00 C ATOM 315 CG LYS A 447 8.188 -7.190 -5.830 1.00 0.00 C ATOM 316 CD LYS A 447 8.987 -5.896 -5.659 1.00 0.00 C ATOM 317 CE LYS A 447 8.099 -4.699 -6.008 1.00 0.00 C ATOM 318 NZ LYS A 447 8.769 -3.441 -5.574 1.00 0.00 N ATOM 0 H LYS A 447 10.409 -10.116 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 447 9.407 -7.555 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.067 -8.261 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.658 -9.301 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.872 -7.300 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 447 7.283 -7.154 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 447 9.345 -5.810 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 447 9.866 -5.911 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 447 7.912 -4.672 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 447 7.130 -4.796 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 8.166 -2.627 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 8.926 -3.468 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 9.683 -3.348 -6.062 1.00 0.00 H new ATOM 332 N LEU A 448 7.334 -10.080 -3.311 1.00 0.00 N ATOM 333 CA LEU A 448 5.981 -10.482 -2.841 1.00 0.00 C ATOM 334 C LEU A 448 5.975 -10.533 -1.310 1.00 0.00 C ATOM 335 O LEU A 448 5.043 -10.094 -0.669 1.00 0.00 O ATOM 336 CB LEU A 448 5.645 -11.865 -3.416 1.00 0.00 C ATOM 337 CG LEU A 448 4.313 -12.372 -2.853 1.00 0.00 C ATOM 338 CD1 LEU A 448 4.549 -12.995 -1.476 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.318 -11.214 -2.734 1.00 0.00 C ATOM 0 H LEU A 448 7.955 -10.853 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 448 5.235 -9.761 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.589 -11.809 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.441 -12.569 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 448 3.900 -13.123 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.603 -13.356 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.246 -13.828 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.966 -12.245 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.375 -11.585 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 448 3.723 -10.454 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 448 3.148 -10.778 -3.718 1.00 0.00 H new ATOM 351 N ALA A 449 7.011 -11.061 -0.719 1.00 0.00 N ATOM 352 CA ALA A 449 7.060 -11.134 0.770 1.00 0.00 C ATOM 353 C ALA A 449 7.234 -9.728 1.346 1.00 0.00 C ATOM 354 O ALA A 449 6.759 -9.425 2.422 1.00 0.00 O ATOM 355 CB ALA A 449 8.236 -12.013 1.204 1.00 0.00 C ATOM 0 H ALA A 449 7.824 -11.444 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 449 6.130 -11.566 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.269 -12.065 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.110 -13.016 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.167 -11.585 0.832 1.00 0.00 H new ATOM 361 N ALA A 450 7.911 -8.866 0.638 1.00 0.00 N ATOM 362 CA ALA A 450 8.112 -7.479 1.146 1.00 0.00 C ATOM 363 C ALA A 450 6.780 -6.725 1.109 1.00 0.00 C ATOM 364 O ALA A 450 6.678 -5.599 1.553 1.00 0.00 O ATOM 365 CB ALA A 450 9.133 -6.757 0.266 1.00 0.00 C ATOM 0 H ALA A 450 8.333 -9.062 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 450 8.480 -7.516 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.280 -5.743 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.081 -7.294 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.767 -6.718 -0.760 1.00 0.00 H new ATOM 371 N ARG A 451 5.758 -7.341 0.580 1.00 0.00 N ATOM 372 CA ARG A 451 4.431 -6.668 0.510 1.00 0.00 C ATOM 373 C ARG A 451 3.530 -7.198 1.626 1.00 0.00 C ATOM 374 O ARG A 451 2.326 -7.034 1.596 1.00 0.00 O ATOM 375 CB ARG A 451 3.789 -6.958 -0.848 1.00 0.00 C ATOM 376 CG ARG A 451 4.558 -6.218 -1.942 1.00 0.00 C ATOM 377 CD ARG A 451 3.904 -6.492 -3.298 1.00 0.00 C ATOM 378 NE ARG A 451 2.893 -5.435 -3.585 1.00 0.00 N ATOM 379 CZ ARG A 451 2.204 -4.907 -2.608 1.00 0.00 C ATOM 380 NH1 ARG A 451 1.036 -5.397 -2.294 1.00 0.00 N ATOM 381 NH2 ARG A 451 2.686 -3.892 -1.945 1.00 0.00 N ATOM 0 H ARG A 451 5.786 -8.284 0.192 1.00 0.00 H new ATOM 0 HA ARG A 451 4.559 -5.592 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 451 3.797 -8.030 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 451 2.746 -6.642 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 451 4.562 -5.147 -1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 451 5.598 -6.544 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.661 -6.509 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 451 3.429 -7.473 -3.293 1.00 0.00 H new ATOM 0 HE ARG A 451 2.739 -5.124 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 451 0.661 -6.192 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 451 0.498 -4.985 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 451 3.600 -3.511 -2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 451 2.149 -3.479 -1.182 1.00 0.00 H new ATOM 395 N GLY A 452 4.101 -7.839 2.609 1.00 0.00 N ATOM 396 CA GLY A 452 3.273 -8.387 3.719 1.00 0.00 C ATOM 397 C GLY A 452 2.836 -9.808 3.360 1.00 0.00 C ATOM 398 O GLY A 452 2.454 -10.588 4.210 1.00 0.00 O ATOM 0 H GLY A 452 5.104 -8.006 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.844 -8.392 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.400 -7.755 3.885 1.00 0.00 H new ATOM 402 N VAL A 453 2.900 -10.149 2.103 1.00 0.00 N ATOM 403 CA VAL A 453 2.500 -11.517 1.672 1.00 0.00 C ATOM 404 C VAL A 453 3.658 -12.481 1.947 1.00 0.00 C ATOM 405 O VAL A 453 4.288 -12.988 1.041 1.00 0.00 O ATOM 406 CB VAL A 453 2.186 -11.497 0.172 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.344 -12.717 -0.198 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.403 -10.226 -0.169 1.00 0.00 C ATOM 0 H VAL A 453 3.214 -9.535 1.352 1.00 0.00 H new ATOM 0 HA VAL A 453 1.617 -11.843 2.221 1.00 0.00 H new ATOM 0 HB VAL A 453 3.121 -11.517 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 453 1.124 -12.697 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.895 -13.626 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.411 -12.699 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.180 -10.211 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.472 -10.210 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.000 -9.351 0.089 1.00 0.00 H new ATOM 418 N CYS A 454 3.956 -12.729 3.193 1.00 0.00 N ATOM 419 CA CYS A 454 5.086 -13.645 3.521 1.00 0.00 C ATOM 420 C CYS A 454 4.645 -15.102 3.386 1.00 0.00 C ATOM 421 O CYS A 454 5.451 -16.008 3.464 1.00 0.00 O ATOM 422 CB CYS A 454 5.546 -13.388 4.957 1.00 0.00 C ATOM 423 SG CYS A 454 5.463 -11.616 5.312 1.00 0.00 S ATOM 0 H CYS A 454 3.467 -12.338 3.998 1.00 0.00 H new ATOM 0 HA CYS A 454 5.906 -13.457 2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.916 -13.939 5.656 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.565 -13.749 5.093 1.00 0.00 H new ATOM 0 HG CYS A 454 5.852 -11.399 6.533 1.00 0.00 H new ATOM 429 N THR A 455 3.380 -15.350 3.188 1.00 0.00 N ATOM 430 CA THR A 455 2.926 -16.762 3.058 1.00 0.00 C ATOM 431 C THR A 455 2.136 -16.937 1.763 1.00 0.00 C ATOM 432 O THR A 455 1.516 -16.014 1.271 1.00 0.00 O ATOM 433 CB THR A 455 2.040 -17.128 4.251 1.00 0.00 C ATOM 434 OG1 THR A 455 1.210 -16.021 4.578 1.00 0.00 O ATOM 435 CG2 THR A 455 2.915 -17.486 5.454 1.00 0.00 C ATOM 0 H THR A 455 2.648 -14.644 3.111 1.00 0.00 H new ATOM 0 HA THR A 455 3.797 -17.417 3.037 1.00 0.00 H new ATOM 0 HB THR A 455 1.419 -17.986 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.768 -15.261 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.280 -17.746 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.550 -18.335 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.539 -16.632 5.717 1.00 0.00 H new ATOM 443 N LEU A 456 2.152 -18.118 1.209 1.00 0.00 N ATOM 444 CA LEU A 456 1.400 -18.356 -0.052 1.00 0.00 C ATOM 445 C LEU A 456 -0.068 -17.993 0.170 1.00 0.00 C ATOM 446 O LEU A 456 -0.720 -17.440 -0.693 1.00 0.00 O ATOM 447 CB LEU A 456 1.511 -19.829 -0.447 1.00 0.00 C ATOM 448 CG LEU A 456 0.687 -20.077 -1.711 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.557 -19.833 -2.946 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.187 -21.521 -1.718 1.00 0.00 C ATOM 0 H LEU A 456 2.653 -18.927 1.576 1.00 0.00 H new ATOM 0 HA LEU A 456 1.815 -17.741 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.554 -20.093 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.153 -20.463 0.364 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.165 -19.397 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 456 0.969 -20.010 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 456 1.913 -18.803 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.410 -20.512 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.400 -21.698 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 456 1.039 -22.201 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.434 -21.695 -0.840 1.00 0.00 H new ATOM 462 N GLU A 457 -0.589 -18.288 1.330 1.00 0.00 N ATOM 463 CA GLU A 457 -2.009 -17.948 1.617 1.00 0.00 C ATOM 464 C GLU A 457 -2.184 -16.437 1.485 1.00 0.00 C ATOM 465 O GLU A 457 -3.171 -15.954 0.968 1.00 0.00 O ATOM 466 CB GLU A 457 -2.363 -18.381 3.042 1.00 0.00 C ATOM 467 CG GLU A 457 -2.571 -19.895 3.080 1.00 0.00 C ATOM 468 CD GLU A 457 -2.850 -20.333 4.519 1.00 0.00 C ATOM 469 OE1 GLU A 457 -2.889 -19.471 5.381 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.020 -21.522 4.733 1.00 0.00 O ATOM 0 H GLU A 457 -0.091 -18.750 2.091 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.665 -18.463 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.566 -18.096 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.267 -17.871 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.404 -20.175 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.686 -20.405 2.698 1.00 0.00 H new ATOM 477 N ASP A 458 -1.219 -15.690 1.941 1.00 0.00 N ATOM 478 CA ASP A 458 -1.311 -14.210 1.837 1.00 0.00 C ATOM 479 C ASP A 458 -1.368 -13.822 0.358 1.00 0.00 C ATOM 480 O ASP A 458 -2.020 -12.869 -0.021 1.00 0.00 O ATOM 481 CB ASP A 458 -0.083 -13.572 2.488 1.00 0.00 C ATOM 482 CG ASP A 458 -0.132 -13.797 4.001 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.177 -14.196 4.488 1.00 0.00 O ATOM 484 OD2 ASP A 458 0.878 -13.567 4.646 1.00 0.00 O ATOM 0 H ASP A 458 -0.369 -16.042 2.382 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.208 -13.858 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.828 -14.006 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -0.056 -12.505 2.269 1.00 0.00 H new ATOM 489 N LEU A 459 -0.693 -14.561 -0.481 1.00 0.00 N ATOM 490 CA LEU A 459 -0.710 -14.245 -1.937 1.00 0.00 C ATOM 491 C LEU A 459 -2.070 -14.634 -2.517 1.00 0.00 C ATOM 492 O LEU A 459 -2.589 -13.983 -3.400 1.00 0.00 O ATOM 493 CB LEU A 459 0.398 -15.033 -2.642 1.00 0.00 C ATOM 494 CG LEU A 459 0.408 -14.693 -4.136 1.00 0.00 C ATOM 495 CD1 LEU A 459 -0.720 -15.449 -4.839 1.00 0.00 C ATOM 496 CD2 LEU A 459 0.209 -13.186 -4.324 1.00 0.00 C ATOM 0 H LEU A 459 -0.130 -15.371 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.542 -13.178 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.365 -14.794 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.240 -16.103 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 459 1.366 -14.986 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 459 -0.713 -15.207 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 459 -0.575 -16.522 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 459 -1.677 -15.158 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 459 0.217 -12.948 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 459 -0.747 -12.889 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 459 1.015 -12.648 -3.826 1.00 0.00 H new ATOM 508 N ALA A 460 -2.654 -15.689 -2.016 1.00 0.00 N ATOM 509 CA ALA A 460 -3.986 -16.116 -2.529 1.00 0.00 C ATOM 510 C ALA A 460 -4.986 -14.976 -2.321 1.00 0.00 C ATOM 511 O ALA A 460 -5.963 -14.853 -3.033 1.00 0.00 O ATOM 512 CB ALA A 460 -4.455 -17.352 -1.760 1.00 0.00 C ATOM 0 H ALA A 460 -2.266 -16.273 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 460 -3.915 -16.357 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.430 -17.665 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.737 -18.160 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.534 -17.113 -0.700 1.00 0.00 H new ATOM 518 N GLU A 461 -4.746 -14.144 -1.344 1.00 0.00 N ATOM 519 CA GLU A 461 -5.677 -13.011 -1.080 1.00 0.00 C ATOM 520 C GLU A 461 -5.334 -11.838 -2.000 1.00 0.00 C ATOM 521 O GLU A 461 -6.063 -10.870 -2.081 1.00 0.00 O ATOM 522 CB GLU A 461 -5.536 -12.568 0.376 1.00 0.00 C ATOM 523 CG GLU A 461 -5.982 -13.702 1.299 1.00 0.00 C ATOM 524 CD GLU A 461 -5.907 -13.236 2.754 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.386 -12.157 2.983 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.374 -13.965 3.614 1.00 0.00 O ATOM 0 H GLU A 461 -3.944 -14.201 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.701 -13.333 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -4.501 -12.299 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -6.140 -11.679 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -7.000 -14.004 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -5.346 -14.575 1.153 1.00 0.00 H new ATOM 533 N GLN A 462 -4.232 -11.912 -2.698 1.00 0.00 N ATOM 534 CA GLN A 462 -3.859 -10.794 -3.608 1.00 0.00 C ATOM 535 C GLN A 462 -4.657 -10.903 -4.903 1.00 0.00 C ATOM 536 O GLN A 462 -5.177 -11.949 -5.238 1.00 0.00 O ATOM 537 CB GLN A 462 -2.368 -10.864 -3.937 1.00 0.00 C ATOM 538 CG GLN A 462 -1.574 -11.150 -2.665 1.00 0.00 C ATOM 539 CD GLN A 462 -1.667 -9.950 -1.723 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.758 -8.821 -2.163 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.647 -10.148 -0.434 1.00 0.00 N ATOM 0 H GLN A 462 -3.578 -12.695 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.079 -9.848 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.185 -11.645 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.039 -9.924 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -1.963 -12.042 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.532 -11.351 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.571 -11.096 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.708 -9.355 0.205 1.00 0.00 H new ATOM 550 N GLY A 463 -4.758 -9.831 -5.634 1.00 0.00 N ATOM 551 CA GLY A 463 -5.523 -9.868 -6.910 1.00 0.00 C ATOM 552 C GLY A 463 -4.593 -9.505 -8.070 1.00 0.00 C ATOM 553 O GLY A 463 -3.562 -8.891 -7.882 1.00 0.00 O ATOM 0 H GLY A 463 -4.343 -8.928 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.946 -10.861 -7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.358 -9.169 -6.867 1.00 0.00 H new ATOM 557 N ILE A 464 -4.949 -9.880 -9.266 1.00 0.00 N ATOM 558 CA ILE A 464 -4.087 -9.557 -10.436 1.00 0.00 C ATOM 559 C ILE A 464 -3.803 -8.054 -10.469 1.00 0.00 C ATOM 560 O ILE A 464 -2.720 -7.622 -10.811 1.00 0.00 O ATOM 561 CB ILE A 464 -4.804 -9.964 -11.724 1.00 0.00 C ATOM 562 CG1 ILE A 464 -5.051 -11.473 -11.715 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.936 -9.599 -12.928 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.899 -11.859 -12.927 1.00 0.00 C ATOM 0 H ILE A 464 -5.801 -10.397 -9.484 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.147 -10.102 -10.351 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.757 -9.439 -11.790 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.101 -12.008 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.559 -11.763 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.447 -9.889 -13.846 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.758 -8.524 -12.936 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.983 -10.124 -12.862 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.075 -12.935 -12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.854 -11.335 -12.885 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.374 -11.583 -13.841 1.00 0.00 H new ATOM 576 N ASP A 465 -4.770 -7.255 -10.118 1.00 0.00 N ATOM 577 CA ASP A 465 -4.564 -5.778 -10.131 1.00 0.00 C ATOM 578 C ASP A 465 -3.555 -5.388 -9.050 1.00 0.00 C ATOM 579 O ASP A 465 -2.744 -4.503 -9.236 1.00 0.00 O ATOM 580 CB ASP A 465 -5.896 -5.076 -9.861 1.00 0.00 C ATOM 581 CG ASP A 465 -6.848 -5.319 -11.034 1.00 0.00 C ATOM 582 OD1 ASP A 465 -6.384 -5.785 -12.061 1.00 0.00 O ATOM 583 OD2 ASP A 465 -8.025 -5.036 -10.883 1.00 0.00 O ATOM 0 H ASP A 465 -5.697 -7.560 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 465 -4.182 -5.476 -11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.337 -5.452 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -5.735 -4.007 -9.725 1.00 0.00 H new ATOM 588 N ASP A 466 -3.598 -6.039 -7.923 1.00 0.00 N ATOM 589 CA ASP A 466 -2.641 -5.703 -6.832 1.00 0.00 C ATOM 590 C ASP A 466 -1.226 -6.116 -7.247 1.00 0.00 C ATOM 591 O ASP A 466 -0.280 -5.369 -7.093 1.00 0.00 O ATOM 592 CB ASP A 466 -3.037 -6.449 -5.557 1.00 0.00 C ATOM 593 CG ASP A 466 -4.370 -5.904 -5.043 1.00 0.00 C ATOM 594 OD1 ASP A 466 -4.786 -4.863 -5.525 1.00 0.00 O ATOM 595 OD2 ASP A 466 -4.952 -6.535 -4.177 1.00 0.00 O ATOM 0 H ASP A 466 -4.254 -6.790 -7.709 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.666 -4.629 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.122 -7.517 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.265 -6.328 -4.797 1.00 0.00 H new ATOM 600 N LEU A 467 -1.076 -7.302 -7.771 1.00 0.00 N ATOM 601 CA LEU A 467 0.276 -7.765 -8.195 1.00 0.00 C ATOM 602 C LEU A 467 0.697 -7.023 -9.465 1.00 0.00 C ATOM 603 O LEU A 467 1.869 -6.857 -9.739 1.00 0.00 O ATOM 604 CB LEU A 467 0.231 -9.269 -8.473 1.00 0.00 C ATOM 605 CG LEU A 467 0.397 -10.041 -7.162 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.439 -9.377 -6.063 1.00 0.00 C ATOM 607 CD2 LEU A 467 -0.074 -11.482 -7.359 1.00 0.00 C ATOM 0 H LEU A 467 -1.831 -7.970 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 467 0.996 -7.561 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.716 -9.533 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.022 -9.544 -9.171 1.00 0.00 H new ATOM 0 HG LEU A 467 1.447 -10.036 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.319 -9.929 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.104 -8.349 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -1.490 -9.380 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 467 0.043 -12.034 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.124 -11.485 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 467 0.522 -11.956 -8.139 1.00 0.00 H new ATOM 619 N ALA A 468 -0.250 -6.578 -10.242 1.00 0.00 N ATOM 620 CA ALA A 468 0.092 -5.848 -11.495 1.00 0.00 C ATOM 621 C ALA A 468 1.087 -4.729 -11.181 1.00 0.00 C ATOM 622 O ALA A 468 1.928 -4.387 -11.989 1.00 0.00 O ATOM 623 CB ALA A 468 -1.179 -5.245 -12.098 1.00 0.00 C ATOM 0 H ALA A 468 -1.248 -6.688 -10.063 1.00 0.00 H new ATOM 0 HA ALA A 468 0.539 -6.542 -12.207 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.929 -4.711 -13.015 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.888 -6.042 -12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.627 -4.552 -11.385 1.00 0.00 H new ATOM 629 N ASP A 469 0.998 -4.159 -10.011 1.00 0.00 N ATOM 630 CA ASP A 469 1.938 -3.063 -9.642 1.00 0.00 C ATOM 631 C ASP A 469 3.369 -3.605 -9.613 1.00 0.00 C ATOM 632 O ASP A 469 4.322 -2.873 -9.789 1.00 0.00 O ATOM 633 CB ASP A 469 1.571 -2.523 -8.258 1.00 0.00 C ATOM 634 CG ASP A 469 0.202 -1.844 -8.319 1.00 0.00 C ATOM 635 OD1 ASP A 469 -0.260 -1.584 -9.418 1.00 0.00 O ATOM 636 OD2 ASP A 469 -0.362 -1.594 -7.267 1.00 0.00 O ATOM 0 H ASP A 469 0.315 -4.405 -9.294 1.00 0.00 H new ATOM 0 HA ASP A 469 1.868 -2.261 -10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.553 -3.336 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.326 -1.812 -7.922 1.00 0.00 H new ATOM 641 N ILE A 470 3.525 -4.881 -9.392 1.00 0.00 N ATOM 642 CA ILE A 470 4.895 -5.466 -9.352 1.00 0.00 C ATOM 643 C ILE A 470 5.541 -5.351 -10.731 1.00 0.00 C ATOM 644 O ILE A 470 4.877 -5.128 -11.725 1.00 0.00 O ATOM 645 CB ILE A 470 4.812 -6.940 -8.949 1.00 0.00 C ATOM 646 CG1 ILE A 470 4.058 -7.066 -7.626 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.224 -7.503 -8.785 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.655 -6.092 -6.609 1.00 0.00 C ATOM 0 H ILE A 470 2.765 -5.543 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 470 5.497 -4.924 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 470 4.284 -7.498 -9.722 1.00 0.00 H new ATOM 0 HG12 ILE A 470 3.000 -6.851 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 470 4.126 -8.087 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 470 6.166 -8.553 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.763 -7.414 -9.728 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.751 -6.944 -8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 470 4.119 -6.179 -5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.707 -6.329 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.564 -5.073 -6.985 1.00 0.00 H new ATOM 660 N GLU A 471 6.834 -5.504 -10.800 1.00 0.00 N ATOM 661 CA GLU A 471 7.527 -5.405 -12.114 1.00 0.00 C ATOM 662 C GLU A 471 7.891 -6.808 -12.606 1.00 0.00 C ATOM 663 O GLU A 471 8.310 -7.656 -11.844 1.00 0.00 O ATOM 664 CB GLU A 471 8.801 -4.571 -11.959 1.00 0.00 C ATOM 665 CG GLU A 471 9.418 -4.324 -13.337 1.00 0.00 C ATOM 666 CD GLU A 471 10.729 -3.553 -13.177 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.088 -3.263 -12.048 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.351 -3.266 -14.186 1.00 0.00 O ATOM 0 H GLU A 471 7.441 -5.693 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 471 6.867 -4.927 -12.837 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.571 -3.621 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.513 -5.090 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.601 -5.273 -13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.726 -3.760 -13.962 1.00 0.00 H new ATOM 675 N GLY A 472 7.734 -7.058 -13.878 1.00 0.00 N ATOM 676 CA GLY A 472 8.071 -8.405 -14.421 1.00 0.00 C ATOM 677 C GLY A 472 6.839 -9.311 -14.353 1.00 0.00 C ATOM 678 O GLY A 472 6.872 -10.450 -14.772 1.00 0.00 O ATOM 0 H GLY A 472 7.387 -6.388 -14.564 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.413 -8.317 -15.452 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.889 -8.844 -13.850 1.00 0.00 H new ATOM 682 N LEU A 473 5.751 -8.815 -13.829 1.00 0.00 N ATOM 683 CA LEU A 473 4.522 -9.651 -13.736 1.00 0.00 C ATOM 684 C LEU A 473 3.508 -9.186 -14.782 1.00 0.00 C ATOM 685 O LEU A 473 3.278 -8.006 -14.955 1.00 0.00 O ATOM 686 CB LEU A 473 3.915 -9.512 -12.337 1.00 0.00 C ATOM 687 CG LEU A 473 2.825 -10.570 -12.143 1.00 0.00 C ATOM 688 CD1 LEU A 473 3.344 -11.934 -12.601 1.00 0.00 C ATOM 689 CD2 LEU A 473 2.444 -10.642 -10.663 1.00 0.00 C ATOM 0 H LEU A 473 5.661 -7.868 -13.462 1.00 0.00 H new ATOM 0 HA LEU A 473 4.778 -10.695 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.690 -9.631 -11.580 1.00 0.00 H new ATOM 0 HB3 LEU A 473 3.495 -8.514 -12.209 1.00 0.00 H new ATOM 0 HG LEU A 473 1.950 -10.299 -12.734 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.566 -12.685 -12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 473 3.616 -11.885 -13.655 1.00 0.00 H new ATOM 0 HD13 LEU A 473 4.220 -12.206 -12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.668 -11.395 -10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 473 3.321 -10.911 -10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 473 2.071 -9.671 -10.336 1.00 0.00 H new ATOM 701 N THR A 474 2.901 -10.103 -15.482 1.00 0.00 N ATOM 702 CA THR A 474 1.903 -9.713 -16.517 1.00 0.00 C ATOM 703 C THR A 474 0.501 -10.094 -16.042 1.00 0.00 C ATOM 704 O THR A 474 0.335 -10.770 -15.045 1.00 0.00 O ATOM 705 CB THR A 474 2.214 -10.444 -17.825 1.00 0.00 C ATOM 706 OG1 THR A 474 3.266 -11.374 -17.608 1.00 0.00 O ATOM 707 CG2 THR A 474 2.638 -9.433 -18.891 1.00 0.00 C ATOM 0 H THR A 474 3.053 -11.107 -15.382 1.00 0.00 H new ATOM 0 HA THR A 474 1.951 -8.637 -16.681 1.00 0.00 H new ATOM 0 HB THR A 474 1.324 -10.973 -18.164 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.465 -11.844 -18.445 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.859 -9.956 -19.821 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.830 -8.720 -19.058 1.00 0.00 H new ATOM 0 HG23 THR A 474 3.528 -8.901 -18.554 1.00 0.00 H new ATOM 715 N ASP A 475 -0.511 -9.667 -16.748 1.00 0.00 N ATOM 716 CA ASP A 475 -1.902 -10.009 -16.339 1.00 0.00 C ATOM 717 C ASP A 475 -2.087 -11.526 -16.387 1.00 0.00 C ATOM 718 O ASP A 475 -2.651 -12.123 -15.491 1.00 0.00 O ATOM 719 CB ASP A 475 -2.893 -9.342 -17.296 1.00 0.00 C ATOM 720 CG ASP A 475 -2.836 -7.824 -17.111 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.242 -7.387 -16.139 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.388 -7.124 -17.944 1.00 0.00 O ATOM 0 H ASP A 475 -0.434 -9.096 -17.590 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.082 -9.653 -15.325 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.652 -9.603 -18.326 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -3.902 -9.705 -17.103 1.00 0.00 H new ATOM 727 N GLU A 476 -1.614 -12.156 -17.428 1.00 0.00 N ATOM 728 CA GLU A 476 -1.760 -13.634 -17.534 1.00 0.00 C ATOM 729 C GLU A 476 -0.939 -14.307 -16.431 1.00 0.00 C ATOM 730 O GLU A 476 -1.391 -15.231 -15.784 1.00 0.00 O ATOM 731 CB GLU A 476 -1.257 -14.100 -18.902 1.00 0.00 C ATOM 732 CG GLU A 476 -2.150 -13.518 -20.001 1.00 0.00 C ATOM 733 CD GLU A 476 -1.701 -14.056 -21.362 1.00 0.00 C ATOM 734 OE1 GLU A 476 -0.657 -14.686 -21.413 1.00 0.00 O ATOM 735 OE2 GLU A 476 -2.411 -13.832 -22.329 1.00 0.00 O ATOM 0 H GLU A 476 -1.133 -11.710 -18.209 1.00 0.00 H new ATOM 0 HA GLU A 476 -2.810 -13.905 -17.422 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -0.225 -13.781 -19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -1.264 -15.189 -18.952 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -3.191 -13.785 -19.818 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.094 -12.429 -19.992 1.00 0.00 H new ATOM 742 N LYS A 477 0.265 -13.849 -16.209 1.00 0.00 N ATOM 743 CA LYS A 477 1.111 -14.462 -15.146 1.00 0.00 C ATOM 744 C LYS A 477 0.438 -14.263 -13.789 1.00 0.00 C ATOM 745 O LYS A 477 0.343 -15.174 -12.990 1.00 0.00 O ATOM 746 CB LYS A 477 2.487 -13.793 -15.134 1.00 0.00 C ATOM 747 CG LYS A 477 3.238 -14.146 -16.421 1.00 0.00 C ATOM 748 CD LYS A 477 4.612 -13.468 -16.413 1.00 0.00 C ATOM 749 CE LYS A 477 5.483 -14.092 -15.320 1.00 0.00 C ATOM 750 NZ LYS A 477 6.854 -14.333 -15.854 1.00 0.00 N ATOM 0 H LYS A 477 0.698 -13.078 -16.718 1.00 0.00 H new ATOM 0 HA LYS A 477 1.229 -15.527 -15.345 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.377 -12.712 -15.050 1.00 0.00 H new ATOM 0 HB3 LYS A 477 3.057 -14.124 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 477 3.354 -15.227 -16.502 1.00 0.00 H new ATOM 0 HG3 LYS A 477 2.665 -13.821 -17.290 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.092 -13.583 -17.385 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.500 -12.398 -16.237 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.529 -13.430 -14.455 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.043 -15.030 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.446 -14.757 -15.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 6.801 -14.980 -16.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.272 -13.430 -16.157 1.00 0.00 H new ATOM 764 N ALA A 478 -0.030 -13.078 -13.525 1.00 0.00 N ATOM 765 CA ALA A 478 -0.701 -12.811 -12.220 1.00 0.00 C ATOM 766 C ALA A 478 -1.912 -13.733 -12.074 1.00 0.00 C ATOM 767 O ALA A 478 -2.206 -14.224 -11.002 1.00 0.00 O ATOM 768 CB ALA A 478 -1.159 -11.353 -12.172 1.00 0.00 C ATOM 0 H ALA A 478 0.022 -12.279 -14.157 1.00 0.00 H new ATOM 0 HA ALA A 478 -0.002 -12.998 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.650 -11.157 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.295 -10.697 -12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.859 -11.165 -12.986 1.00 0.00 H new ATOM 774 N GLY A 479 -2.618 -13.973 -13.144 1.00 0.00 N ATOM 775 CA GLY A 479 -3.810 -14.863 -13.066 1.00 0.00 C ATOM 776 C GLY A 479 -3.371 -16.275 -12.680 1.00 0.00 C ATOM 777 O GLY A 479 -4.004 -16.931 -11.882 1.00 0.00 O ATOM 0 H GLY A 479 -2.421 -13.591 -14.069 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.517 -14.477 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.326 -14.881 -14.026 1.00 0.00 H new ATOM 781 N ALA A 480 -2.288 -16.742 -13.232 1.00 0.00 N ATOM 782 CA ALA A 480 -1.811 -18.112 -12.888 1.00 0.00 C ATOM 783 C ALA A 480 -1.050 -18.072 -11.563 1.00 0.00 C ATOM 784 O ALA A 480 -1.325 -18.831 -10.657 1.00 0.00 O ATOM 785 CB ALA A 480 -0.887 -18.624 -13.994 1.00 0.00 C ATOM 0 H ALA A 480 -1.712 -16.237 -13.905 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.667 -18.780 -12.793 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -0.538 -19.626 -13.742 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.432 -18.656 -14.938 1.00 0.00 H new ATOM 0 HB3 ALA A 480 -0.031 -17.956 -14.092 1.00 0.00 H new ATOM 791 N LEU A 481 -0.095 -17.192 -11.443 1.00 0.00 N ATOM 792 CA LEU A 481 0.679 -17.105 -10.173 1.00 0.00 C ATOM 793 C LEU A 481 -0.293 -17.014 -8.996 1.00 0.00 C ATOM 794 O LEU A 481 -0.255 -17.814 -8.081 1.00 0.00 O ATOM 795 CB LEU A 481 1.563 -15.856 -10.203 1.00 0.00 C ATOM 796 CG LEU A 481 2.917 -16.206 -10.818 1.00 0.00 C ATOM 797 CD1 LEU A 481 3.619 -17.250 -9.946 1.00 0.00 C ATOM 798 CD2 LEU A 481 2.705 -16.771 -12.224 1.00 0.00 C ATOM 0 H LEU A 481 0.183 -16.530 -12.168 1.00 0.00 H new ATOM 0 HA LEU A 481 1.305 -17.991 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.080 -15.069 -10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.699 -15.469 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 481 3.534 -15.310 -10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 481 4.585 -17.500 -10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 481 3.768 -16.846 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.004 -18.148 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 481 3.670 -17.021 -12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 481 2.089 -17.668 -12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 481 2.205 -16.027 -12.844 1.00 0.00 H new ATOM 810 N ILE A 482 -1.165 -16.045 -9.016 1.00 0.00 N ATOM 811 CA ILE A 482 -2.144 -15.892 -7.904 1.00 0.00 C ATOM 812 C ILE A 482 -3.085 -17.097 -7.878 1.00 0.00 C ATOM 813 O ILE A 482 -3.489 -17.559 -6.830 1.00 0.00 O ATOM 814 CB ILE A 482 -2.961 -14.618 -8.123 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.032 -13.404 -8.094 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.004 -14.487 -7.012 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.849 -12.136 -8.346 1.00 0.00 C ATOM 0 H ILE A 482 -1.242 -15.349 -9.758 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.609 -15.829 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.462 -14.669 -9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.528 -13.340 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.256 -13.507 -8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.588 -13.579 -7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.667 -15.352 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.502 -14.436 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.190 -11.268 -8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.332 -12.202 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.608 -12.032 -7.571 1.00 0.00 H new ATOM 829 N MET A 483 -3.440 -17.605 -9.023 1.00 0.00 N ATOM 830 CA MET A 483 -4.359 -18.776 -9.068 1.00 0.00 C ATOM 831 C MET A 483 -3.610 -20.032 -8.619 1.00 0.00 C ATOM 832 O MET A 483 -4.181 -20.929 -8.031 1.00 0.00 O ATOM 833 CB MET A 483 -4.870 -18.963 -10.497 1.00 0.00 C ATOM 834 CG MET A 483 -6.031 -17.995 -10.746 1.00 0.00 C ATOM 835 SD MET A 483 -6.368 -17.894 -12.520 1.00 0.00 S ATOM 836 CE MET A 483 -7.637 -19.178 -12.573 1.00 0.00 C ATOM 0 H MET A 483 -3.133 -17.260 -9.932 1.00 0.00 H new ATOM 0 HA MET A 483 -5.203 -18.604 -8.400 1.00 0.00 H new ATOM 0 HB2 MET A 483 -4.067 -18.778 -11.210 1.00 0.00 H new ATOM 0 HB3 MET A 483 -5.199 -19.991 -10.647 1.00 0.00 H new ATOM 0 HG2 MET A 483 -6.921 -18.334 -10.215 1.00 0.00 H new ATOM 0 HG3 MET A 483 -5.784 -17.008 -10.356 1.00 0.00 H new ATOM 0 HE1 MET A 483 -7.998 -19.291 -13.595 1.00 0.00 H new ATOM 0 HE2 MET A 483 -7.213 -20.123 -12.232 1.00 0.00 H new ATOM 0 HE3 MET A 483 -8.466 -18.897 -11.924 1.00 0.00 H new ATOM 846 N ALA A 484 -2.335 -20.102 -8.886 1.00 0.00 N ATOM 847 CA ALA A 484 -1.549 -21.298 -8.471 1.00 0.00 C ATOM 848 C ALA A 484 -1.479 -21.347 -6.945 1.00 0.00 C ATOM 849 O ALA A 484 -1.597 -22.394 -6.339 1.00 0.00 O ATOM 850 CB ALA A 484 -0.134 -21.206 -9.046 1.00 0.00 C ATOM 0 H ALA A 484 -1.803 -19.382 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 484 -2.031 -22.201 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.440 -22.081 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 484 -0.185 -21.166 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.353 -20.305 -8.672 1.00 0.00 H new ATOM 856 N ALA A 485 -1.292 -20.218 -6.322 1.00 0.00 N ATOM 857 CA ALA A 485 -1.220 -20.189 -4.836 1.00 0.00 C ATOM 858 C ALA A 485 -2.625 -20.373 -4.264 1.00 0.00 C ATOM 859 O ALA A 485 -2.828 -21.086 -3.302 1.00 0.00 O ATOM 860 CB ALA A 485 -0.653 -18.846 -4.376 1.00 0.00 C ATOM 0 H ALA A 485 -1.186 -19.312 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.571 -20.992 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.601 -18.827 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.347 -18.712 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.300 -18.040 -4.723 1.00 0.00 H new ATOM 866 N ARG A 486 -3.597 -19.742 -4.860 1.00 0.00 N ATOM 867 CA ARG A 486 -4.995 -19.884 -4.364 1.00 0.00 C ATOM 868 C ARG A 486 -5.446 -21.332 -4.555 1.00 0.00 C ATOM 869 O ARG A 486 -6.049 -21.928 -3.685 1.00 0.00 O ATOM 870 CB ARG A 486 -5.916 -18.963 -5.165 1.00 0.00 C ATOM 871 CG ARG A 486 -5.597 -17.504 -4.838 1.00 0.00 C ATOM 872 CD ARG A 486 -6.482 -16.590 -5.689 1.00 0.00 C ATOM 873 NE ARG A 486 -7.517 -15.958 -4.823 1.00 0.00 N ATOM 874 CZ ARG A 486 -8.641 -15.547 -5.343 1.00 0.00 C ATOM 875 NH1 ARG A 486 -9.302 -16.317 -6.163 1.00 0.00 N ATOM 876 NH2 ARG A 486 -9.106 -14.366 -5.039 1.00 0.00 N ATOM 0 H ARG A 486 -3.484 -19.133 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.039 -19.616 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.787 -19.143 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -6.958 -19.179 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -5.767 -17.311 -3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.545 -17.297 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -5.875 -15.822 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -6.958 -17.164 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 486 -7.347 -15.847 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -8.940 -17.241 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -10.181 -15.995 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -8.591 -13.765 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -9.985 -14.044 -5.445 1.00 0.00 H new ATOM 890 N ASN A 487 -5.154 -21.901 -5.693 1.00 0.00 N ATOM 891 CA ASN A 487 -5.560 -23.311 -5.953 1.00 0.00 C ATOM 892 C ASN A 487 -4.923 -24.224 -4.905 1.00 0.00 C ATOM 893 O ASN A 487 -5.533 -25.159 -4.428 1.00 0.00 O ATOM 894 CB ASN A 487 -5.084 -23.729 -7.346 1.00 0.00 C ATOM 895 CG ASN A 487 -5.806 -22.894 -8.406 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.950 -22.524 -8.229 1.00 0.00 O ATOM 897 ND2 ASN A 487 -5.183 -22.580 -9.509 1.00 0.00 N ATOM 0 H ASN A 487 -4.650 -21.448 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.646 -23.393 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -4.006 -23.589 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -5.282 -24.789 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.656 -22.024 -10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -4.223 -22.890 -9.658 1.00 0.00 H new ATOM 904 N ILE A 488 -3.697 -23.963 -4.553 1.00 0.00 N ATOM 905 CA ILE A 488 -3.012 -24.819 -3.543 1.00 0.00 C ATOM 906 C ILE A 488 -3.504 -24.461 -2.140 1.00 0.00 C ATOM 907 O ILE A 488 -3.678 -25.318 -1.297 1.00 0.00 O ATOM 908 CB ILE A 488 -1.503 -24.594 -3.626 1.00 0.00 C ATOM 909 CG1 ILE A 488 -1.011 -24.958 -5.028 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.801 -25.476 -2.591 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.464 -24.581 -5.163 1.00 0.00 C ATOM 0 H ILE A 488 -3.138 -23.193 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.238 -25.866 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.277 -23.547 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -1.142 -26.025 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.602 -24.435 -5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.276 -25.317 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.154 -25.216 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -1.025 -26.523 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 488 0.816 -24.840 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.582 -23.509 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.048 -25.125 -4.420 1.00 0.00 H new ATOM 923 N CYS A 489 -3.720 -23.204 -1.882 1.00 0.00 N ATOM 924 CA CYS A 489 -4.191 -22.790 -0.530 1.00 0.00 C ATOM 925 C CYS A 489 -5.698 -23.033 -0.411 1.00 0.00 C ATOM 926 O CYS A 489 -6.210 -23.301 0.658 1.00 0.00 O ATOM 927 CB CYS A 489 -3.900 -21.303 -0.327 1.00 0.00 C ATOM 928 SG CYS A 489 -2.250 -21.104 0.389 1.00 0.00 S ATOM 0 H CYS A 489 -3.591 -22.443 -2.549 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.670 -23.374 0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.961 -20.776 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.649 -20.861 0.330 1.00 0.00 H new ATOM 0 HG CYS A 489 -2.052 -22.025 1.285 1.00 0.00 H new ATOM 934 N TRP A 490 -6.410 -22.938 -1.498 1.00 0.00 N ATOM 935 CA TRP A 490 -7.882 -23.160 -1.449 1.00 0.00 C ATOM 936 C TRP A 490 -8.210 -24.551 -1.995 1.00 0.00 C ATOM 937 O TRP A 490 -8.362 -25.501 -1.253 1.00 0.00 O ATOM 938 CB TRP A 490 -8.584 -22.102 -2.302 1.00 0.00 C ATOM 939 CG TRP A 490 -8.384 -20.750 -1.692 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.740 -20.506 -0.527 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.820 -19.458 -2.198 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.753 -19.143 -0.287 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.407 -18.454 -1.289 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.526 -19.063 -3.347 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.687 -17.105 -1.514 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.809 -17.707 -3.577 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.391 -16.730 -2.662 1.00 0.00 C ATOM 0 H TRP A 490 -6.036 -22.716 -2.420 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.225 -23.085 -0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.186 -22.116 -3.317 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.648 -22.326 -2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.290 -21.252 0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.331 -18.702 0.530 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.853 -19.807 -4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.362 -16.357 -0.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.352 -17.415 -4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.613 -15.689 -2.844 1.00 0.00 H new