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+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.07 F(o=-3.5!,f=-2.1) USER MOD Single : A 447 LYS NZ :NH3+ -154:sc= -2.14 (180deg=-2.88) USER MOD Single : A 454 CYS SG : rot -39:sc= 0.0478 USER MOD Single : A 455 THR OG1 : rot -66:sc= -1.37! USER MOD Single : A 462 GLN : amide:sc= -1.64! K(o=-1.6!,f=-2.6) USER MOD Single : A 474 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 477 LYS NZ :NH3+ 155:sc= -0.134 (180deg=-0.719) USER MOD Single : A 483 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 487 ASN :FLIP amide:sc= -4.68! C(o=-5.6!,f=-4.7!) USER MOD Single : A 489 CYS SG : rot 150:sc= -3.32 USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 10.026 -11.999 5.052 1.00 0.00 N ATOM 35 CA LYS A 429 10.564 -13.073 4.169 1.00 0.00 C ATOM 36 C LYS A 429 9.418 -13.952 3.667 1.00 0.00 C ATOM 37 O LYS A 429 8.431 -14.151 4.345 1.00 0.00 O ATOM 38 CB LYS A 429 11.556 -13.932 4.955 1.00 0.00 C ATOM 39 CG LYS A 429 12.684 -13.052 5.493 1.00 0.00 C ATOM 40 CD LYS A 429 13.871 -13.932 5.891 1.00 0.00 C ATOM 41 CE LYS A 429 13.639 -14.501 7.293 1.00 0.00 C ATOM 42 NZ LYS A 429 13.706 -15.989 7.244 1.00 0.00 N ATOM 0 HA LYS A 429 11.070 -12.618 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.047 -14.431 5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 429 11.965 -14.712 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 429 12.990 -12.331 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 429 12.336 -12.481 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.992 -14.743 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 429 14.792 -13.349 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 429 14.390 -14.115 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 429 12.667 -14.183 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 13.548 -16.375 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 12.974 -16.348 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 14.643 -16.283 6.902 1.00 0.00 H new ATOM 56 N PRO A 430 9.560 -14.484 2.445 1.00 0.00 N ATOM 57 CA PRO A 430 8.543 -15.345 1.827 1.00 0.00 C ATOM 58 C PRO A 430 8.463 -16.723 2.499 1.00 0.00 C ATOM 59 O PRO A 430 9.460 -17.291 2.896 1.00 0.00 O ATOM 60 CB PRO A 430 9.028 -15.491 0.385 1.00 0.00 C ATOM 61 CG PRO A 430 10.501 -15.261 0.453 1.00 0.00 C ATOM 62 CD PRO A 430 10.729 -14.284 1.570 1.00 0.00 C ATOM 0 HA PRO A 430 7.543 -14.920 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.800 -16.481 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.544 -14.767 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 430 11.031 -16.195 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.876 -14.865 -0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.663 -14.485 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.785 -13.259 1.202 1.00 0.00 H new ATOM 70 N ALA A 431 7.276 -17.255 2.633 1.00 0.00 N ATOM 71 CA ALA A 431 7.117 -18.587 3.283 1.00 0.00 C ATOM 72 C ALA A 431 7.475 -19.694 2.290 1.00 0.00 C ATOM 73 O ALA A 431 7.481 -19.491 1.092 1.00 0.00 O ATOM 74 CB ALA A 431 5.667 -18.760 3.737 1.00 0.00 C ATOM 0 H ALA A 431 6.408 -16.822 2.319 1.00 0.00 H new ATOM 0 HA ALA A 431 7.781 -18.649 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.548 -19.734 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.413 -17.975 4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 431 5.005 -18.695 2.873 1.00 0.00 H new ATOM 80 N ASP A 432 7.771 -20.866 2.781 1.00 0.00 N ATOM 81 CA ASP A 432 8.130 -21.990 1.874 1.00 0.00 C ATOM 82 C ASP A 432 7.063 -22.146 0.789 1.00 0.00 C ATOM 83 O ASP A 432 7.368 -22.428 -0.353 1.00 0.00 O ATOM 84 CB ASP A 432 8.224 -23.285 2.682 1.00 0.00 C ATOM 85 CG ASP A 432 9.421 -23.209 3.632 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.210 -22.290 3.486 1.00 0.00 O ATOM 87 OD2 ASP A 432 9.528 -24.070 4.488 1.00 0.00 O ATOM 0 H ASP A 432 7.779 -21.093 3.775 1.00 0.00 H new ATOM 0 HA ASP A 432 9.091 -21.778 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 432 7.306 -23.440 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 432 8.332 -24.137 2.011 1.00 0.00 H new ATOM 92 N ASP A 433 5.815 -21.970 1.127 1.00 0.00 N ATOM 93 CA ASP A 433 4.749 -22.117 0.098 1.00 0.00 C ATOM 94 C ASP A 433 4.985 -21.103 -1.020 1.00 0.00 C ATOM 95 O ASP A 433 4.710 -21.361 -2.173 1.00 0.00 O ATOM 96 CB ASP A 433 3.377 -21.872 0.731 1.00 0.00 C ATOM 97 CG ASP A 433 3.201 -22.794 1.940 1.00 0.00 C ATOM 98 OD1 ASP A 433 3.945 -23.756 2.039 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.327 -22.522 2.746 1.00 0.00 O ATOM 0 H ASP A 433 5.490 -21.733 2.064 1.00 0.00 H new ATOM 0 HA ASP A 433 4.777 -23.127 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.287 -20.830 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 433 2.589 -22.058 0.001 1.00 0.00 H new ATOM 104 N LEU A 434 5.499 -19.952 -0.685 1.00 0.00 N ATOM 105 CA LEU A 434 5.760 -18.920 -1.725 1.00 0.00 C ATOM 106 C LEU A 434 7.089 -19.225 -2.417 1.00 0.00 C ATOM 107 O LEU A 434 7.261 -18.983 -3.595 1.00 0.00 O ATOM 108 CB LEU A 434 5.830 -17.545 -1.063 1.00 0.00 C ATOM 109 CG LEU A 434 4.412 -17.009 -0.854 1.00 0.00 C ATOM 110 CD1 LEU A 434 4.482 -15.606 -0.253 1.00 0.00 C ATOM 111 CD2 LEU A 434 3.679 -16.954 -2.197 1.00 0.00 C ATOM 0 H LEU A 434 5.750 -19.682 0.266 1.00 0.00 H new ATOM 0 HA LEU A 434 4.957 -18.928 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 434 6.349 -17.615 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.402 -16.858 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 434 3.872 -17.669 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 434 3.472 -15.223 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 434 5.000 -15.646 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 434 5.023 -14.946 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 434 2.669 -16.572 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 434 4.217 -16.296 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 434 3.627 -17.955 -2.625 1.00 0.00 H new ATOM 123 N LEU A 435 8.032 -19.755 -1.689 1.00 0.00 N ATOM 124 CA LEU A 435 9.355 -20.079 -2.293 1.00 0.00 C ATOM 125 C LEU A 435 9.231 -21.324 -3.175 1.00 0.00 C ATOM 126 O LEU A 435 9.828 -21.412 -4.229 1.00 0.00 O ATOM 127 CB LEU A 435 10.372 -20.356 -1.180 1.00 0.00 C ATOM 128 CG LEU A 435 10.819 -19.041 -0.532 1.00 0.00 C ATOM 129 CD1 LEU A 435 11.038 -17.978 -1.611 1.00 0.00 C ATOM 130 CD2 LEU A 435 9.743 -18.564 0.445 1.00 0.00 C ATOM 0 H LEU A 435 7.943 -19.979 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 435 9.687 -19.235 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 435 9.930 -21.009 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.236 -20.880 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 435 11.754 -19.204 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 435 11.356 -17.046 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 435 11.807 -18.317 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 435 10.107 -17.813 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 435 10.060 -17.629 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 435 8.808 -18.405 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 435 9.593 -19.318 1.218 1.00 0.00 H new ATOM 142 N ASN A 436 8.470 -22.290 -2.745 1.00 0.00 N ATOM 143 CA ASN A 436 8.318 -23.535 -3.549 1.00 0.00 C ATOM 144 C ASN A 436 7.165 -23.385 -4.546 1.00 0.00 C ATOM 145 O ASN A 436 6.943 -24.241 -5.379 1.00 0.00 O ATOM 146 CB ASN A 436 8.032 -24.709 -2.610 1.00 0.00 C ATOM 147 CG ASN A 436 9.073 -24.731 -1.488 1.00 0.00 C ATOM 148 OD1 ASN A 436 8.712 -24.419 -0.274 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 10.226 -25.034 -1.719 1.00 0.00 N flip ATOM 0 H ASN A 436 7.946 -22.272 -1.870 1.00 0.00 H new ATOM 0 HA ASN A 436 9.240 -23.718 -4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.031 -24.617 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.060 -25.647 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 436 10.509 -25.278 -2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 436 10.912 -25.044 -0.964 1.00 0.00 H new ATOM 156 N LEU A 437 6.429 -22.309 -4.475 1.00 0.00 N ATOM 157 CA LEU A 437 5.297 -22.127 -5.431 1.00 0.00 C ATOM 158 C LEU A 437 5.843 -21.988 -6.853 1.00 0.00 C ATOM 159 O LEU A 437 6.677 -21.147 -7.129 1.00 0.00 O ATOM 160 CB LEU A 437 4.510 -20.866 -5.071 1.00 0.00 C ATOM 161 CG LEU A 437 3.318 -20.730 -6.020 1.00 0.00 C ATOM 162 CD1 LEU A 437 2.414 -21.957 -5.884 1.00 0.00 C ATOM 163 CD2 LEU A 437 2.524 -19.471 -5.667 1.00 0.00 C ATOM 0 H LEU A 437 6.560 -21.553 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 437 4.640 -22.995 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.164 -20.921 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.152 -19.988 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 437 3.679 -20.656 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 437 1.565 -21.860 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 437 2.978 -22.855 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.054 -22.032 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.675 -19.375 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.164 -19.544 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.167 -18.596 -5.765 1.00 0.00 H new ATOM 175 N GLU A 438 5.378 -22.803 -7.759 1.00 0.00 N ATOM 176 CA GLU A 438 5.868 -22.713 -9.164 1.00 0.00 C ATOM 177 C GLU A 438 5.461 -21.362 -9.759 1.00 0.00 C ATOM 178 O GLU A 438 4.335 -20.929 -9.623 1.00 0.00 O ATOM 179 CB GLU A 438 5.251 -23.842 -9.993 1.00 0.00 C ATOM 180 CG GLU A 438 5.843 -23.820 -11.402 1.00 0.00 C ATOM 181 CD GLU A 438 5.164 -24.891 -12.259 1.00 0.00 C ATOM 182 OE1 GLU A 438 4.269 -25.547 -11.753 1.00 0.00 O ATOM 183 OE2 GLU A 438 5.551 -25.036 -13.406 1.00 0.00 O ATOM 0 H GLU A 438 4.680 -23.527 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 438 6.954 -22.805 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 438 5.447 -24.804 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 438 4.168 -23.724 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 438 5.703 -22.837 -11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 438 6.917 -24.001 -11.359 1.00 0.00 H new ATOM 190 N GLY A 439 6.369 -20.694 -10.417 1.00 0.00 N ATOM 191 CA GLY A 439 6.030 -19.373 -11.019 1.00 0.00 C ATOM 192 C GLY A 439 6.696 -18.254 -10.211 1.00 0.00 C ATOM 193 O GLY A 439 6.902 -17.162 -10.702 1.00 0.00 O ATOM 0 H GLY A 439 7.329 -21.005 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 439 6.367 -19.337 -12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.949 -19.234 -11.030 1.00 0.00 H new ATOM 197 N VAL A 440 7.034 -18.515 -8.978 1.00 0.00 N ATOM 198 CA VAL A 440 7.684 -17.464 -8.145 1.00 0.00 C ATOM 199 C VAL A 440 9.060 -17.953 -7.690 1.00 0.00 C ATOM 200 O VAL A 440 9.177 -18.852 -6.883 1.00 0.00 O ATOM 201 CB VAL A 440 6.812 -17.173 -6.922 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.514 -16.156 -6.020 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.469 -16.604 -7.380 1.00 0.00 C ATOM 0 H VAL A 440 6.888 -19.410 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 440 7.800 -16.553 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 440 6.648 -18.096 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 440 6.891 -15.950 -5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.472 -16.560 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.680 -15.232 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.846 -16.396 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.635 -15.681 -7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.967 -17.328 -8.021 1.00 0.00 H new ATOM 213 N ASP A 441 10.106 -17.365 -8.204 1.00 0.00 N ATOM 214 CA ASP A 441 11.476 -17.793 -7.805 1.00 0.00 C ATOM 215 C ASP A 441 11.814 -17.213 -6.433 1.00 0.00 C ATOM 216 O ASP A 441 11.054 -16.455 -5.864 1.00 0.00 O ATOM 217 CB ASP A 441 12.492 -17.281 -8.828 1.00 0.00 C ATOM 218 CG ASP A 441 12.149 -15.837 -9.207 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.292 -15.263 -8.555 1.00 0.00 O ATOM 220 OD2 ASP A 441 12.751 -15.331 -10.139 1.00 0.00 O ATOM 0 H ASP A 441 10.070 -16.606 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 441 11.513 -18.882 -7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 441 13.499 -17.330 -8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 441 12.482 -17.914 -9.715 1.00 0.00 H new ATOM 225 N ARG A 442 12.951 -17.560 -5.900 1.00 0.00 N ATOM 226 CA ARG A 442 13.342 -17.022 -4.568 1.00 0.00 C ATOM 227 C ARG A 442 13.390 -15.496 -4.640 1.00 0.00 C ATOM 228 O ARG A 442 13.024 -14.805 -3.710 1.00 0.00 O ATOM 229 CB ARG A 442 14.722 -17.565 -4.191 1.00 0.00 C ATOM 230 CG ARG A 442 15.215 -16.877 -2.916 1.00 0.00 C ATOM 231 CD ARG A 442 16.621 -17.380 -2.580 1.00 0.00 C ATOM 232 NE ARG A 442 16.991 -16.947 -1.203 1.00 0.00 N ATOM 233 CZ ARG A 442 17.017 -17.816 -0.231 1.00 0.00 C ATOM 234 NH1 ARG A 442 18.159 -18.204 0.269 1.00 0.00 N ATOM 235 NH2 ARG A 442 15.901 -18.300 0.243 1.00 0.00 N ATOM 0 H ARG A 442 13.627 -18.193 -6.329 1.00 0.00 H new ATOM 0 HA ARG A 442 12.616 -17.328 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 442 14.670 -18.643 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.426 -17.392 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.227 -15.796 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.535 -17.086 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 442 16.656 -18.467 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.340 -16.989 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 442 17.224 -15.971 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 442 19.032 -17.827 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 442 18.178 -18.884 1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 442 15.008 -17.998 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 442 15.922 -18.980 1.003 1.00 0.00 H new ATOM 249 N ASP A 443 13.843 -14.968 -5.743 1.00 0.00 N ATOM 250 CA ASP A 443 13.923 -13.487 -5.889 1.00 0.00 C ATOM 251 C ASP A 443 12.516 -12.886 -5.849 1.00 0.00 C ATOM 252 O ASP A 443 12.217 -12.044 -5.026 1.00 0.00 O ATOM 253 CB ASP A 443 14.585 -13.143 -7.223 1.00 0.00 C ATOM 254 CG ASP A 443 16.075 -13.482 -7.155 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.551 -13.754 -6.065 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.716 -13.463 -8.193 1.00 0.00 O ATOM 0 H ASP A 443 14.162 -15.500 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 443 14.513 -13.076 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 443 14.111 -13.700 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.452 -12.084 -7.445 1.00 0.00 H new ATOM 261 N LEU A 444 11.647 -13.308 -6.729 1.00 0.00 N ATOM 262 CA LEU A 444 10.263 -12.754 -6.730 1.00 0.00 C ATOM 263 C LEU A 444 9.658 -12.927 -5.339 1.00 0.00 C ATOM 264 O LEU A 444 8.795 -12.178 -4.925 1.00 0.00 O ATOM 265 CB LEU A 444 9.414 -13.504 -7.758 1.00 0.00 C ATOM 266 CG LEU A 444 8.131 -12.719 -8.040 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.563 -13.146 -9.396 1.00 0.00 C ATOM 268 CD2 LEU A 444 7.100 -13.006 -6.945 1.00 0.00 C ATOM 0 H LEU A 444 11.835 -14.010 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 444 10.288 -11.696 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.979 -13.640 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 444 9.169 -14.498 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 444 8.355 -11.652 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.649 -12.588 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.295 -12.941 -10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.341 -14.213 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 444 6.188 -12.446 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.875 -14.072 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.503 -12.705 -5.978 1.00 0.00 H new ATOM 280 N ALA A 445 10.107 -13.911 -4.612 1.00 0.00 N ATOM 281 CA ALA A 445 9.565 -14.135 -3.247 1.00 0.00 C ATOM 282 C ALA A 445 9.918 -12.937 -2.365 1.00 0.00 C ATOM 283 O ALA A 445 9.187 -12.578 -1.463 1.00 0.00 O ATOM 284 CB ALA A 445 10.175 -15.408 -2.658 1.00 0.00 C ATOM 0 H ALA A 445 10.828 -14.570 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 445 8.482 -14.246 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.777 -15.572 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.924 -16.259 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.259 -15.302 -2.605 1.00 0.00 H new ATOM 290 N PHE A 446 11.033 -12.311 -2.624 1.00 0.00 N ATOM 291 CA PHE A 446 11.431 -11.131 -1.808 1.00 0.00 C ATOM 292 C PHE A 446 10.551 -9.941 -2.191 1.00 0.00 C ATOM 293 O PHE A 446 9.962 -9.295 -1.347 1.00 0.00 O ATOM 294 CB PHE A 446 12.899 -10.798 -2.076 1.00 0.00 C ATOM 295 CG PHE A 446 13.777 -11.843 -1.428 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.775 -11.991 -0.036 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.591 -12.664 -2.218 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.587 -12.960 0.567 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.403 -13.634 -1.615 1.00 0.00 C ATOM 300 CZ PHE A 446 15.401 -13.781 -0.222 1.00 0.00 C ATOM 0 H PHE A 446 11.685 -12.566 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 446 11.304 -11.353 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 446 13.086 -10.765 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 446 13.137 -9.811 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.147 -11.358 0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.593 -12.550 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.585 -13.074 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 446 16.030 -14.268 -2.224 1.00 0.00 H new ATOM 0 HZ PHE A 446 16.027 -14.528 0.243 1.00 0.00 H new ATOM 310 N LYS A 447 10.448 -9.648 -3.460 1.00 0.00 N ATOM 311 CA LYS A 447 9.594 -8.507 -3.890 1.00 0.00 C ATOM 312 C LYS A 447 8.147 -8.791 -3.487 1.00 0.00 C ATOM 313 O LYS A 447 7.390 -7.896 -3.172 1.00 0.00 O ATOM 314 CB LYS A 447 9.671 -8.346 -5.409 1.00 0.00 C ATOM 315 CG LYS A 447 9.128 -6.970 -5.802 1.00 0.00 C ATOM 316 CD LYS A 447 9.154 -6.825 -7.324 1.00 0.00 C ATOM 317 CE LYS A 447 8.940 -5.358 -7.699 1.00 0.00 C ATOM 318 NZ LYS A 447 7.785 -4.811 -6.930 1.00 0.00 N ATOM 0 H LYS A 447 10.918 -10.149 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 447 9.943 -7.591 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.702 -8.452 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 447 9.094 -9.130 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 447 8.110 -6.850 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 447 9.728 -6.186 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 447 10.108 -7.177 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.377 -7.443 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 447 9.840 -4.782 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 447 8.753 -5.269 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 7.360 -4.021 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 7.074 -5.558 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 8.114 -4.472 -6.003 1.00 0.00 H new ATOM 332 N LEU A 448 7.764 -10.037 -3.493 1.00 0.00 N ATOM 333 CA LEU A 448 6.371 -10.399 -3.108 1.00 0.00 C ATOM 334 C LEU A 448 6.274 -10.450 -1.581 1.00 0.00 C ATOM 335 O LEU A 448 5.332 -9.958 -0.991 1.00 0.00 O ATOM 336 CB LEU A 448 6.028 -11.769 -3.705 1.00 0.00 C ATOM 337 CG LEU A 448 4.635 -12.221 -3.252 1.00 0.00 C ATOM 338 CD1 LEU A 448 4.738 -12.882 -1.876 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.688 -11.019 -3.180 1.00 0.00 C ATOM 0 H LEU A 448 8.359 -10.825 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 448 5.668 -9.657 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 448 6.063 -11.717 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.773 -12.503 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 448 4.239 -12.937 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.748 -13.204 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.399 -13.746 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.140 -12.167 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.702 -11.352 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 448 4.077 -10.292 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 448 3.611 -10.557 -4.164 1.00 0.00 H new ATOM 351 N ALA A 449 7.244 -11.039 -0.935 1.00 0.00 N ATOM 352 CA ALA A 449 7.206 -11.116 0.554 1.00 0.00 C ATOM 353 C ALA A 449 7.416 -9.719 1.142 1.00 0.00 C ATOM 354 O ALA A 449 6.897 -9.392 2.190 1.00 0.00 O ATOM 355 CB ALA A 449 8.314 -12.051 1.048 1.00 0.00 C ATOM 0 H ALA A 449 8.059 -11.469 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 449 6.238 -11.503 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.285 -12.106 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.163 -13.046 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.283 -11.667 0.730 1.00 0.00 H new ATOM 361 N ALA A 450 8.171 -8.892 0.473 1.00 0.00 N ATOM 362 CA ALA A 450 8.411 -7.516 0.991 1.00 0.00 C ATOM 363 C ALA A 450 7.115 -6.707 0.903 1.00 0.00 C ATOM 364 O ALA A 450 7.026 -5.600 1.397 1.00 0.00 O ATOM 365 CB ALA A 450 9.493 -6.836 0.149 1.00 0.00 C ATOM 0 H ALA A 450 8.632 -9.110 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 450 8.738 -7.570 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.669 -5.829 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.416 -7.413 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 450 9.165 -6.781 -0.889 1.00 0.00 H new ATOM 371 N ARG A 451 6.111 -7.250 0.272 1.00 0.00 N ATOM 372 CA ARG A 451 4.823 -6.510 0.147 1.00 0.00 C ATOM 373 C ARG A 451 3.832 -7.010 1.201 1.00 0.00 C ATOM 374 O ARG A 451 2.645 -6.767 1.113 1.00 0.00 O ATOM 375 CB ARG A 451 4.241 -6.738 -1.250 1.00 0.00 C ATOM 376 CG ARG A 451 5.175 -6.125 -2.295 1.00 0.00 C ATOM 377 CD ARG A 451 5.286 -4.616 -2.059 1.00 0.00 C ATOM 378 NE ARG A 451 6.171 -4.016 -3.097 1.00 0.00 N ATOM 379 CZ ARG A 451 5.693 -3.719 -4.275 1.00 0.00 C ATOM 380 NH1 ARG A 451 4.453 -4.001 -4.569 1.00 0.00 N ATOM 381 NH2 ARG A 451 6.456 -3.139 -5.160 1.00 0.00 N ATOM 0 H ARG A 451 6.126 -8.173 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 451 5.002 -5.446 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.120 -7.805 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.251 -6.287 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 451 6.160 -6.587 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 451 4.794 -6.320 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.298 -4.157 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 451 5.689 -4.421 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 451 7.153 -3.837 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 451 3.855 -4.454 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 451 4.082 -3.768 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 451 7.425 -2.918 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 451 6.083 -2.907 -6.081 1.00 0.00 H new ATOM 395 N GLY A 452 4.307 -7.703 2.198 1.00 0.00 N ATOM 396 CA GLY A 452 3.388 -8.213 3.255 1.00 0.00 C ATOM 397 C GLY A 452 2.960 -9.643 2.915 1.00 0.00 C ATOM 398 O GLY A 452 2.576 -10.407 3.777 1.00 0.00 O ATOM 0 H GLY A 452 5.291 -7.938 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.885 -8.192 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.512 -7.569 3.332 1.00 0.00 H new ATOM 402 N VAL A 453 3.030 -10.012 1.665 1.00 0.00 N ATOM 403 CA VAL A 453 2.634 -11.393 1.271 1.00 0.00 C ATOM 404 C VAL A 453 3.787 -12.345 1.593 1.00 0.00 C ATOM 405 O VAL A 453 4.449 -12.860 0.714 1.00 0.00 O ATOM 406 CB VAL A 453 2.339 -11.419 -0.231 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.480 -12.639 -0.569 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.589 -10.145 -0.621 1.00 0.00 C ATOM 0 H VAL A 453 3.345 -9.416 0.899 1.00 0.00 H new ATOM 0 HA VAL A 453 1.743 -11.703 1.816 1.00 0.00 H new ATOM 0 HB VAL A 453 3.277 -11.477 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 453 1.273 -12.653 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 453 2.013 -13.548 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.541 -12.587 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.377 -10.160 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.652 -10.090 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.202 -9.275 -0.385 1.00 0.00 H new ATOM 418 N CYS A 454 4.044 -12.569 2.853 1.00 0.00 N ATOM 419 CA CYS A 454 5.167 -13.469 3.238 1.00 0.00 C ATOM 420 C CYS A 454 4.740 -14.933 3.142 1.00 0.00 C ATOM 421 O CYS A 454 5.535 -15.826 3.351 1.00 0.00 O ATOM 422 CB CYS A 454 5.589 -13.162 4.676 1.00 0.00 C ATOM 423 SG CYS A 454 5.662 -11.370 4.917 1.00 0.00 S ATOM 0 H CYS A 454 3.524 -12.167 3.633 1.00 0.00 H new ATOM 0 HA CYS A 454 6.001 -13.300 2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.881 -13.605 5.376 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.562 -13.607 4.883 1.00 0.00 H new ATOM 0 HG CYS A 454 6.150 -10.808 3.851 1.00 0.00 H new ATOM 429 N THR A 455 3.502 -15.202 2.834 1.00 0.00 N ATOM 430 CA THR A 455 3.072 -16.626 2.742 1.00 0.00 C ATOM 431 C THR A 455 2.206 -16.834 1.500 1.00 0.00 C ATOM 432 O THR A 455 1.610 -15.912 0.982 1.00 0.00 O ATOM 433 CB THR A 455 2.272 -17.005 3.990 1.00 0.00 C ATOM 434 OG1 THR A 455 1.400 -15.935 4.335 1.00 0.00 O ATOM 435 CG2 THR A 455 3.229 -17.281 5.150 1.00 0.00 C ATOM 0 H THR A 455 2.778 -14.509 2.644 1.00 0.00 H new ATOM 0 HA THR A 455 3.957 -17.258 2.670 1.00 0.00 H new ATOM 0 HB THR A 455 1.686 -17.901 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.929 -15.156 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.657 -17.551 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.895 -18.102 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.818 -16.387 5.356 1.00 0.00 H new ATOM 443 N LEU A 456 2.131 -18.048 1.025 1.00 0.00 N ATOM 444 CA LEU A 456 1.301 -18.324 -0.178 1.00 0.00 C ATOM 445 C LEU A 456 -0.140 -17.908 0.111 1.00 0.00 C ATOM 446 O LEU A 456 -0.808 -17.324 -0.720 1.00 0.00 O ATOM 447 CB LEU A 456 1.354 -19.816 -0.497 1.00 0.00 C ATOM 448 CG LEU A 456 0.674 -20.075 -1.843 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.703 -19.948 -2.968 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.084 -21.484 -1.849 1.00 0.00 C ATOM 0 H LEU A 456 2.609 -18.858 1.419 1.00 0.00 H new ATOM 0 HA LEU A 456 1.680 -17.762 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.389 -20.155 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 456 0.857 -20.385 0.289 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.121 -19.346 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.218 -20.133 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 456 2.126 -18.943 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.499 -20.677 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.401 -21.671 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 456 0.880 -22.213 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.649 -21.575 -1.047 1.00 0.00 H new ATOM 462 N GLU A 457 -0.619 -18.192 1.292 1.00 0.00 N ATOM 463 CA GLU A 457 -2.011 -17.797 1.642 1.00 0.00 C ATOM 464 C GLU A 457 -2.149 -16.289 1.451 1.00 0.00 C ATOM 465 O GLU A 457 -3.151 -15.797 0.972 1.00 0.00 O ATOM 466 CB GLU A 457 -2.291 -18.157 3.101 1.00 0.00 C ATOM 467 CG GLU A 457 -2.509 -19.667 3.226 1.00 0.00 C ATOM 468 CD GLU A 457 -2.832 -20.016 4.680 1.00 0.00 C ATOM 469 OE1 GLU A 457 -2.859 -19.107 5.495 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.046 -21.185 4.956 1.00 0.00 O ATOM 0 H GLU A 457 -0.107 -18.679 2.027 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.722 -18.321 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.456 -17.847 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.172 -17.622 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.324 -19.983 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.617 -20.202 2.902 1.00 0.00 H new ATOM 477 N ASP A 458 -1.135 -15.554 1.812 1.00 0.00 N ATOM 478 CA ASP A 458 -1.187 -14.077 1.642 1.00 0.00 C ATOM 479 C ASP A 458 -1.210 -13.758 0.147 1.00 0.00 C ATOM 480 O ASP A 458 -1.848 -12.821 -0.292 1.00 0.00 O ATOM 481 CB ASP A 458 0.051 -13.444 2.280 1.00 0.00 C ATOM 482 CG ASP A 458 0.038 -13.704 3.788 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.000 -14.097 4.294 1.00 0.00 O ATOM 484 OD2 ASP A 458 1.068 -13.503 4.410 1.00 0.00 O ATOM 0 H ASP A 458 -0.271 -15.914 2.218 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.080 -13.678 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.955 -13.861 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 458 0.065 -12.372 2.085 1.00 0.00 H new ATOM 489 N LEU A 459 -0.522 -14.541 -0.640 1.00 0.00 N ATOM 490 CA LEU A 459 -0.507 -14.298 -2.109 1.00 0.00 C ATOM 491 C LEU A 459 -1.874 -14.667 -2.685 1.00 0.00 C ATOM 492 O LEU A 459 -2.401 -13.990 -3.546 1.00 0.00 O ATOM 493 CB LEU A 459 0.579 -15.162 -2.757 1.00 0.00 C ATOM 494 CG LEU A 459 0.636 -14.884 -4.263 1.00 0.00 C ATOM 495 CD1 LEU A 459 -0.536 -15.581 -4.956 1.00 0.00 C ATOM 496 CD2 LEU A 459 0.555 -13.374 -4.514 1.00 0.00 C ATOM 0 H LEU A 459 0.031 -15.339 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.295 -13.248 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.546 -14.948 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.370 -16.217 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 459 1.575 -15.266 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 459 -0.495 -15.383 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 459 -0.474 -16.655 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 459 -1.475 -15.202 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 459 0.596 -13.181 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 459 -0.381 -12.988 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 459 1.393 -12.878 -4.024 1.00 0.00 H new ATOM 508 N ALA A 460 -2.459 -15.731 -2.205 1.00 0.00 N ATOM 509 CA ALA A 460 -3.798 -16.138 -2.714 1.00 0.00 C ATOM 510 C ALA A 460 -4.790 -15.002 -2.460 1.00 0.00 C ATOM 511 O ALA A 460 -5.760 -14.835 -3.174 1.00 0.00 O ATOM 512 CB ALA A 460 -4.262 -17.394 -1.975 1.00 0.00 C ATOM 0 H ALA A 460 -2.067 -16.335 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 460 -3.741 -16.348 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.242 -17.693 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.548 -18.200 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.327 -17.185 -0.907 1.00 0.00 H new ATOM 518 N GLU A 461 -4.551 -14.216 -1.444 1.00 0.00 N ATOM 519 CA GLU A 461 -5.473 -13.088 -1.135 1.00 0.00 C ATOM 520 C GLU A 461 -5.183 -11.915 -2.073 1.00 0.00 C ATOM 521 O GLU A 461 -5.931 -10.961 -2.137 1.00 0.00 O ATOM 522 CB GLU A 461 -5.263 -12.643 0.312 1.00 0.00 C ATOM 523 CG GLU A 461 -5.691 -13.767 1.257 1.00 0.00 C ATOM 524 CD GLU A 461 -5.560 -13.292 2.706 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.024 -12.215 2.910 1.00 0.00 O ATOM 526 OE2 GLU A 461 -5.996 -14.014 3.587 1.00 0.00 O ATOM 0 H GLU A 461 -3.754 -14.308 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.504 -13.415 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -4.215 -12.392 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -5.842 -11.742 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.721 -14.058 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -5.071 -14.649 1.095 1.00 0.00 H new ATOM 533 N GLN A 462 -4.100 -11.976 -2.799 1.00 0.00 N ATOM 534 CA GLN A 462 -3.769 -10.860 -3.729 1.00 0.00 C ATOM 535 C GLN A 462 -4.618 -10.977 -4.992 1.00 0.00 C ATOM 536 O GLN A 462 -5.188 -12.012 -5.277 1.00 0.00 O ATOM 537 CB GLN A 462 -2.289 -10.927 -4.111 1.00 0.00 C ATOM 538 CG GLN A 462 -1.448 -11.187 -2.863 1.00 0.00 C ATOM 539 CD GLN A 462 -1.422 -9.930 -1.991 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.380 -8.826 -2.498 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.447 -10.052 -0.693 1.00 0.00 N ATOM 0 H GLN A 462 -3.433 -12.747 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 462 -3.975 -9.911 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.127 -11.719 -4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -1.982 -9.993 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -1.863 -12.024 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.433 -11.466 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.482 -10.979 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.431 -9.221 -0.102 1.00 0.00 H new ATOM 550 N GLY A 463 -4.706 -9.923 -5.753 1.00 0.00 N ATOM 551 CA GLY A 463 -5.515 -9.969 -7.002 1.00 0.00 C ATOM 552 C GLY A 463 -4.652 -9.514 -8.178 1.00 0.00 C ATOM 553 O GLY A 463 -3.664 -8.828 -8.005 1.00 0.00 O ATOM 0 H GLY A 463 -4.252 -9.030 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.882 -10.981 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.389 -9.325 -6.907 1.00 0.00 H new ATOM 557 N ILE A 464 -5.012 -9.888 -9.374 1.00 0.00 N ATOM 558 CA ILE A 464 -4.207 -9.475 -10.557 1.00 0.00 C ATOM 559 C ILE A 464 -4.011 -7.958 -10.539 1.00 0.00 C ATOM 560 O ILE A 464 -2.964 -7.454 -10.894 1.00 0.00 O ATOM 561 CB ILE A 464 -4.941 -9.876 -11.837 1.00 0.00 C ATOM 562 CG1 ILE A 464 -5.104 -11.395 -11.875 1.00 0.00 C ATOM 563 CG2 ILE A 464 -4.129 -9.418 -13.049 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.987 -11.784 -13.063 1.00 0.00 C ATOM 0 H ILE A 464 -5.829 -10.462 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.235 -9.967 -10.523 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.924 -9.406 -11.858 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.129 -11.874 -11.961 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.551 -11.747 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.649 -9.702 -13.964 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -4.011 -8.335 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -3.147 -9.890 -13.028 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.103 -12.867 -13.090 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.966 -11.316 -12.957 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.521 -11.446 -13.989 1.00 0.00 H new ATOM 576 N ASP A 465 -5.011 -7.229 -10.135 1.00 0.00 N ATOM 577 CA ASP A 465 -4.886 -5.744 -10.097 1.00 0.00 C ATOM 578 C ASP A 465 -3.893 -5.340 -9.007 1.00 0.00 C ATOM 579 O ASP A 465 -3.116 -4.421 -9.171 1.00 0.00 O ATOM 580 CB ASP A 465 -6.252 -5.124 -9.799 1.00 0.00 C ATOM 581 CG ASP A 465 -7.188 -5.354 -10.987 1.00 0.00 C ATOM 582 OD1 ASP A 465 -6.700 -5.748 -12.033 1.00 0.00 O ATOM 583 OD2 ASP A 465 -8.377 -5.133 -10.831 1.00 0.00 O ATOM 0 H ASP A 465 -5.912 -7.596 -9.829 1.00 0.00 H new ATOM 0 HA ASP A 465 -4.528 -5.387 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.675 -5.567 -8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -6.145 -4.056 -9.609 1.00 0.00 H new ATOM 588 N ASP A 466 -3.910 -6.021 -7.896 1.00 0.00 N ATOM 589 CA ASP A 466 -2.964 -5.675 -6.799 1.00 0.00 C ATOM 590 C ASP A 466 -1.544 -6.059 -7.218 1.00 0.00 C ATOM 591 O ASP A 466 -0.611 -5.296 -7.064 1.00 0.00 O ATOM 592 CB ASP A 466 -3.349 -6.435 -5.530 1.00 0.00 C ATOM 593 CG ASP A 466 -4.729 -5.972 -5.059 1.00 0.00 C ATOM 594 OD1 ASP A 466 -5.178 -4.943 -5.532 1.00 0.00 O ATOM 595 OD2 ASP A 466 -5.312 -6.655 -4.233 1.00 0.00 O ATOM 0 H ASP A 466 -4.537 -6.801 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 466 -3.009 -4.604 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.360 -7.507 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.609 -6.260 -4.749 1.00 0.00 H new ATOM 600 N LEU A 467 -1.373 -7.238 -7.753 1.00 0.00 N ATOM 601 CA LEU A 467 -0.015 -7.667 -8.188 1.00 0.00 C ATOM 602 C LEU A 467 0.467 -6.750 -9.312 1.00 0.00 C ATOM 603 O LEU A 467 1.646 -6.492 -9.454 1.00 0.00 O ATOM 604 CB LEU A 467 -0.070 -9.110 -8.699 1.00 0.00 C ATOM 605 CG LEU A 467 -0.611 -10.026 -7.600 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.313 -11.483 -7.963 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.062 -9.687 -6.267 1.00 0.00 C ATOM 0 H LEU A 467 -2.115 -7.921 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 467 0.672 -7.608 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.707 -9.169 -9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 467 0.925 -9.437 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 467 -1.688 -9.883 -7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.697 -12.139 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.793 -11.727 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 467 0.764 -11.622 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.326 -10.342 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 467 1.139 -9.828 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.147 -8.649 -6.007 1.00 0.00 H new ATOM 619 N ALA A 468 -0.438 -6.255 -10.113 1.00 0.00 N ATOM 620 CA ALA A 468 -0.035 -5.353 -11.229 1.00 0.00 C ATOM 621 C ALA A 468 0.995 -4.345 -10.720 1.00 0.00 C ATOM 622 O ALA A 468 1.887 -3.937 -11.438 1.00 0.00 O ATOM 623 CB ALA A 468 -1.265 -4.607 -11.753 1.00 0.00 C ATOM 0 H ALA A 468 -1.439 -6.437 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 468 0.401 -5.943 -12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.970 -3.947 -12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -2.000 -5.326 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.702 -4.016 -10.948 1.00 0.00 H new ATOM 629 N ASP A 469 0.882 -3.943 -9.485 1.00 0.00 N ATOM 630 CA ASP A 469 1.857 -2.966 -8.928 1.00 0.00 C ATOM 631 C ASP A 469 3.260 -3.573 -8.975 1.00 0.00 C ATOM 632 O ASP A 469 4.247 -2.877 -9.101 1.00 0.00 O ATOM 633 CB ASP A 469 1.490 -2.645 -7.478 1.00 0.00 C ATOM 634 CG ASP A 469 0.151 -1.907 -7.440 1.00 0.00 C ATOM 635 OD1 ASP A 469 -0.284 -1.456 -8.488 1.00 0.00 O ATOM 636 OD2 ASP A 469 -0.418 -1.805 -6.366 1.00 0.00 O ATOM 0 H ASP A 469 0.156 -4.249 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 469 1.833 -2.050 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.427 -3.564 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.268 -2.032 -7.022 1.00 0.00 H new ATOM 641 N ILE A 470 3.353 -4.871 -8.874 1.00 0.00 N ATOM 642 CA ILE A 470 4.689 -5.529 -8.914 1.00 0.00 C ATOM 643 C ILE A 470 5.296 -5.367 -10.308 1.00 0.00 C ATOM 644 O ILE A 470 4.609 -5.071 -11.265 1.00 0.00 O ATOM 645 CB ILE A 470 4.532 -7.018 -8.599 1.00 0.00 C ATOM 646 CG1 ILE A 470 3.674 -7.186 -7.345 1.00 0.00 C ATOM 647 CG2 ILE A 470 5.910 -7.638 -8.357 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.249 -6.325 -6.220 1.00 0.00 C ATOM 0 H ILE A 470 2.561 -5.504 -8.765 1.00 0.00 H new ATOM 0 HA ILE A 470 5.344 -5.066 -8.176 1.00 0.00 H new ATOM 0 HB ILE A 470 4.051 -7.517 -9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 470 2.645 -6.893 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.653 -8.233 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 470 5.797 -8.699 -8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.524 -7.519 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.391 -7.138 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 470 3.639 -6.442 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.271 -6.639 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.247 -5.279 -6.525 1.00 0.00 H new ATOM 660 N GLU A 471 6.579 -5.561 -10.428 1.00 0.00 N ATOM 661 CA GLU A 471 7.231 -5.420 -11.760 1.00 0.00 C ATOM 662 C GLU A 471 7.632 -6.802 -12.280 1.00 0.00 C ATOM 663 O GLU A 471 8.051 -7.662 -11.532 1.00 0.00 O ATOM 664 CB GLU A 471 8.476 -4.540 -11.630 1.00 0.00 C ATOM 665 CG GLU A 471 9.043 -4.253 -13.021 1.00 0.00 C ATOM 666 CD GLU A 471 10.324 -3.429 -12.889 1.00 0.00 C ATOM 667 OE1 GLU A 471 10.700 -3.128 -11.768 1.00 0.00 O ATOM 668 OE2 GLU A 471 10.910 -3.111 -13.911 1.00 0.00 O ATOM 0 H GLU A 471 7.205 -5.811 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 471 6.534 -4.958 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.224 -3.606 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.225 -5.039 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.251 -5.188 -13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.310 -3.712 -13.620 1.00 0.00 H new ATOM 675 N GLY A 472 7.502 -7.022 -13.561 1.00 0.00 N ATOM 676 CA GLY A 472 7.873 -8.347 -14.131 1.00 0.00 C ATOM 677 C GLY A 472 6.653 -9.271 -14.112 1.00 0.00 C ATOM 678 O GLY A 472 6.751 -10.448 -14.396 1.00 0.00 O ATOM 0 H GLY A 472 7.155 -6.341 -14.236 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.236 -8.227 -15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.686 -8.788 -13.554 1.00 0.00 H new ATOM 682 N LEU A 473 5.505 -8.748 -13.779 1.00 0.00 N ATOM 683 CA LEU A 473 4.282 -9.599 -13.743 1.00 0.00 C ATOM 684 C LEU A 473 3.307 -9.137 -14.828 1.00 0.00 C ATOM 685 O LEU A 473 3.087 -7.957 -15.019 1.00 0.00 O ATOM 686 CB LEU A 473 3.619 -9.482 -12.370 1.00 0.00 C ATOM 687 CG LEU A 473 4.167 -10.577 -11.450 1.00 0.00 C ATOM 688 CD1 LEU A 473 3.693 -10.328 -10.017 1.00 0.00 C ATOM 689 CD2 LEU A 473 3.662 -11.941 -11.927 1.00 0.00 C ATOM 0 H LEU A 473 5.361 -7.769 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 473 4.556 -10.639 -13.923 1.00 0.00 H new ATOM 0 HB2 LEU A 473 3.814 -8.499 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 473 2.538 -9.579 -12.466 1.00 0.00 H new ATOM 0 HG LEU A 473 5.257 -10.562 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 473 4.084 -11.108 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 473 4.053 -9.357 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 473 2.604 -10.342 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 473 4.051 -12.722 -11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 473 2.572 -11.955 -11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 473 4.003 -12.119 -12.947 1.00 0.00 H new ATOM 701 N THR A 474 2.725 -10.059 -15.542 1.00 0.00 N ATOM 702 CA THR A 474 1.768 -9.677 -16.618 1.00 0.00 C ATOM 703 C THR A 474 0.337 -9.955 -16.155 1.00 0.00 C ATOM 704 O THR A 474 0.112 -10.565 -15.129 1.00 0.00 O ATOM 705 CB THR A 474 2.065 -10.497 -17.876 1.00 0.00 C ATOM 706 OG1 THR A 474 3.074 -11.455 -17.586 1.00 0.00 O ATOM 707 CG2 THR A 474 2.545 -9.568 -18.993 1.00 0.00 C ATOM 0 H THR A 474 2.871 -11.062 -15.427 1.00 0.00 H new ATOM 0 HA THR A 474 1.876 -8.615 -16.839 1.00 0.00 H new ATOM 0 HB THR A 474 1.159 -11.009 -18.199 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.265 -11.983 -18.390 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.756 -10.154 -19.888 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.770 -8.834 -19.214 1.00 0.00 H new ATOM 0 HG23 THR A 474 3.451 -9.054 -18.674 1.00 0.00 H new ATOM 715 N ASP A 475 -0.634 -9.511 -16.909 1.00 0.00 N ATOM 716 CA ASP A 475 -2.053 -9.747 -16.517 1.00 0.00 C ATOM 717 C ASP A 475 -2.344 -11.249 -16.529 1.00 0.00 C ATOM 718 O ASP A 475 -2.966 -11.778 -15.629 1.00 0.00 O ATOM 719 CB ASP A 475 -2.976 -9.042 -17.513 1.00 0.00 C ATOM 720 CG ASP A 475 -2.822 -7.527 -17.364 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.181 -7.108 -16.413 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.346 -6.812 -18.201 1.00 0.00 O ATOM 0 H ASP A 475 -0.505 -8.995 -17.779 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.225 -9.353 -15.515 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.730 -9.345 -18.531 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.011 -9.333 -17.335 1.00 0.00 H new ATOM 727 N GLU A 476 -1.896 -11.942 -17.541 1.00 0.00 N ATOM 728 CA GLU A 476 -2.145 -13.410 -17.607 1.00 0.00 C ATOM 729 C GLU A 476 -1.253 -14.119 -16.587 1.00 0.00 C ATOM 730 O GLU A 476 -1.685 -15.010 -15.882 1.00 0.00 O ATOM 731 CB GLU A 476 -1.826 -13.923 -19.013 1.00 0.00 C ATOM 732 CG GLU A 476 -2.800 -13.300 -20.016 1.00 0.00 C ATOM 733 CD GLU A 476 -2.529 -13.868 -21.412 1.00 0.00 C ATOM 734 OE1 GLU A 476 -1.529 -14.549 -21.569 1.00 0.00 O ATOM 735 OE2 GLU A 476 -3.326 -13.611 -22.299 1.00 0.00 O ATOM 0 H GLU A 476 -1.369 -11.555 -18.324 1.00 0.00 H new ATOM 0 HA GLU A 476 -3.192 -13.613 -17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -0.800 -13.669 -19.280 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -1.903 -15.010 -19.042 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -3.828 -13.510 -19.720 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.686 -12.216 -20.024 1.00 0.00 H new ATOM 742 N LYS A 477 -0.011 -13.726 -16.496 1.00 0.00 N ATOM 743 CA LYS A 477 0.907 -14.374 -15.516 1.00 0.00 C ATOM 744 C LYS A 477 0.347 -14.186 -14.108 1.00 0.00 C ATOM 745 O LYS A 477 0.362 -15.089 -13.294 1.00 0.00 O ATOM 746 CB LYS A 477 2.289 -13.724 -15.606 1.00 0.00 C ATOM 747 CG LYS A 477 3.286 -14.517 -14.759 1.00 0.00 C ATOM 748 CD LYS A 477 4.666 -13.862 -14.854 1.00 0.00 C ATOM 749 CE LYS A 477 5.697 -14.737 -14.140 1.00 0.00 C ATOM 750 NZ LYS A 477 5.834 -16.033 -14.862 1.00 0.00 N ATOM 0 H LYS A 477 0.407 -12.985 -17.058 1.00 0.00 H new ATOM 0 HA LYS A 477 0.993 -15.438 -15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.621 -13.694 -16.644 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.240 -12.692 -15.257 1.00 0.00 H new ATOM 0 HG2 LYS A 477 2.956 -14.546 -13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 477 3.336 -15.549 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.947 -13.730 -15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.641 -12.870 -14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.659 -14.226 -14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.389 -14.913 -13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.773 -16.438 -14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.100 -16.692 -14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 5.725 -15.874 -15.884 1.00 0.00 H new ATOM 764 N ALA A 478 -0.150 -13.018 -13.818 1.00 0.00 N ATOM 765 CA ALA A 478 -0.718 -12.762 -12.465 1.00 0.00 C ATOM 766 C ALA A 478 -1.903 -13.701 -12.228 1.00 0.00 C ATOM 767 O ALA A 478 -2.129 -14.167 -11.129 1.00 0.00 O ATOM 768 CB ALA A 478 -1.193 -11.311 -12.380 1.00 0.00 C ATOM 0 H ALA A 478 -0.188 -12.227 -14.461 1.00 0.00 H new ATOM 0 HA ALA A 478 0.046 -12.939 -11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.609 -11.122 -11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.350 -10.642 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.959 -11.134 -13.135 1.00 0.00 H new ATOM 774 N GLY A 479 -2.663 -13.980 -13.251 1.00 0.00 N ATOM 775 CA GLY A 479 -3.832 -14.889 -13.085 1.00 0.00 C ATOM 776 C GLY A 479 -3.340 -16.291 -12.725 1.00 0.00 C ATOM 777 O GLY A 479 -3.968 -17.005 -11.969 1.00 0.00 O ATOM 0 H GLY A 479 -2.525 -13.618 -14.195 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.492 -14.512 -12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.415 -14.922 -14.006 1.00 0.00 H new ATOM 781 N ALA A 480 -2.219 -16.688 -13.258 1.00 0.00 N ATOM 782 CA ALA A 480 -1.683 -18.043 -12.946 1.00 0.00 C ATOM 783 C ALA A 480 -0.984 -18.011 -11.587 1.00 0.00 C ATOM 784 O ALA A 480 -1.252 -18.818 -10.719 1.00 0.00 O ATOM 785 CB ALA A 480 -0.680 -18.454 -14.025 1.00 0.00 C ATOM 0 H ALA A 480 -1.650 -16.133 -13.897 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.502 -18.762 -12.918 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -0.287 -19.445 -13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.177 -18.474 -14.995 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.140 -17.736 -14.052 1.00 0.00 H new ATOM 791 N LEU A 481 -0.088 -17.081 -11.396 1.00 0.00 N ATOM 792 CA LEU A 481 0.628 -16.994 -10.093 1.00 0.00 C ATOM 793 C LEU A 481 -0.393 -16.983 -8.954 1.00 0.00 C ATOM 794 O LEU A 481 -0.392 -17.845 -8.096 1.00 0.00 O ATOM 795 CB LEU A 481 1.449 -15.702 -10.051 1.00 0.00 C ATOM 796 CG LEU A 481 2.837 -15.961 -10.641 1.00 0.00 C ATOM 797 CD1 LEU A 481 3.620 -16.890 -9.712 1.00 0.00 C ATOM 798 CD2 LEU A 481 2.693 -16.616 -12.016 1.00 0.00 C ATOM 0 H LEU A 481 0.178 -16.379 -12.086 1.00 0.00 H new ATOM 0 HA LEU A 481 1.291 -17.852 -9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 481 0.943 -14.918 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.539 -15.349 -9.024 1.00 0.00 H new ATOM 0 HG LEU A 481 3.371 -15.016 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 481 4.609 -17.075 -10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 481 3.723 -16.423 -8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.087 -17.835 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 481 3.682 -16.801 -12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 481 2.160 -17.561 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 481 2.135 -15.954 -12.678 1.00 0.00 H new ATOM 810 N ILE A 482 -1.265 -16.015 -8.944 1.00 0.00 N ATOM 811 CA ILE A 482 -2.291 -15.942 -7.867 1.00 0.00 C ATOM 812 C ILE A 482 -3.159 -17.198 -7.899 1.00 0.00 C ATOM 813 O ILE A 482 -3.617 -17.676 -6.880 1.00 0.00 O ATOM 814 CB ILE A 482 -3.169 -14.711 -8.091 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.309 -13.452 -7.989 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.269 -14.666 -7.029 1.00 0.00 C ATOM 817 CD1 ILE A 482 -3.154 -12.228 -8.344 1.00 0.00 C ATOM 0 H ILE A 482 -1.312 -15.269 -9.638 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.797 -15.870 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.625 -14.763 -9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.910 -13.352 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.455 -13.526 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.894 -13.788 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.881 -15.565 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.817 -14.613 -6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.541 -11.329 -8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.531 -12.329 -9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.993 -12.152 -7.652 1.00 0.00 H new ATOM 829 N MET A 483 -3.391 -17.737 -9.062 1.00 0.00 N ATOM 830 CA MET A 483 -4.231 -18.962 -9.161 1.00 0.00 C ATOM 831 C MET A 483 -3.431 -20.175 -8.683 1.00 0.00 C ATOM 832 O MET A 483 -3.974 -21.103 -8.117 1.00 0.00 O ATOM 833 CB MET A 483 -4.653 -19.176 -10.615 1.00 0.00 C ATOM 834 CG MET A 483 -5.899 -18.341 -10.912 1.00 0.00 C ATOM 835 SD MET A 483 -7.374 -19.262 -10.407 1.00 0.00 S ATOM 836 CE MET A 483 -8.051 -19.522 -12.063 1.00 0.00 C ATOM 0 H MET A 483 -3.035 -17.382 -9.949 1.00 0.00 H new ATOM 0 HA MET A 483 -5.116 -18.842 -8.537 1.00 0.00 H new ATOM 0 HB2 MET A 483 -3.843 -18.891 -11.286 1.00 0.00 H new ATOM 0 HB3 MET A 483 -4.858 -20.231 -10.794 1.00 0.00 H new ATOM 0 HG2 MET A 483 -5.849 -17.391 -10.379 1.00 0.00 H new ATOM 0 HG3 MET A 483 -5.949 -18.108 -11.976 1.00 0.00 H new ATOM 0 HE1 MET A 483 -8.983 -20.083 -11.991 1.00 0.00 H new ATOM 0 HE2 MET A 483 -8.243 -18.558 -12.533 1.00 0.00 H new ATOM 0 HE3 MET A 483 -7.336 -20.083 -12.665 1.00 0.00 H new ATOM 846 N ALA A 484 -2.146 -20.176 -8.899 1.00 0.00 N ATOM 847 CA ALA A 484 -1.319 -21.332 -8.452 1.00 0.00 C ATOM 848 C ALA A 484 -1.298 -21.373 -6.925 1.00 0.00 C ATOM 849 O ALA A 484 -1.370 -22.425 -6.319 1.00 0.00 O ATOM 850 CB ALA A 484 0.106 -21.174 -8.982 1.00 0.00 C ATOM 0 H ALA A 484 -1.633 -19.428 -9.365 1.00 0.00 H new ATOM 0 HA ALA A 484 -1.744 -22.259 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.712 -22.019 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 484 0.087 -21.140 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.537 -20.249 -8.598 1.00 0.00 H new ATOM 856 N ALA A 485 -1.213 -20.234 -6.299 1.00 0.00 N ATOM 857 CA ALA A 485 -1.201 -20.203 -4.811 1.00 0.00 C ATOM 858 C ALA A 485 -2.599 -20.544 -4.302 1.00 0.00 C ATOM 859 O ALA A 485 -2.770 -21.328 -3.390 1.00 0.00 O ATOM 860 CB ALA A 485 -0.807 -18.806 -4.328 1.00 0.00 C ATOM 0 H ALA A 485 -1.151 -19.323 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.480 -20.927 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.799 -18.787 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.186 -18.558 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.527 -18.076 -4.699 1.00 0.00 H new ATOM 866 N ARG A 486 -3.601 -19.962 -4.897 1.00 0.00 N ATOM 867 CA ARG A 486 -4.996 -20.249 -4.466 1.00 0.00 C ATOM 868 C ARG A 486 -5.324 -21.714 -4.758 1.00 0.00 C ATOM 869 O ARG A 486 -5.891 -22.409 -3.938 1.00 0.00 O ATOM 870 CB ARG A 486 -5.960 -19.349 -5.242 1.00 0.00 C ATOM 871 CG ARG A 486 -5.741 -17.893 -4.827 1.00 0.00 C ATOM 872 CD ARG A 486 -6.464 -16.966 -5.807 1.00 0.00 C ATOM 873 NE ARG A 486 -6.978 -15.775 -5.071 1.00 0.00 N ATOM 874 CZ ARG A 486 -7.591 -14.820 -5.717 1.00 0.00 C ATOM 875 NH1 ARG A 486 -6.991 -13.676 -5.911 1.00 0.00 N ATOM 876 NH2 ARG A 486 -8.802 -15.005 -6.166 1.00 0.00 N ATOM 0 H ARG A 486 -3.514 -19.298 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.097 -20.058 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.797 -19.462 -6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -6.990 -19.644 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -6.115 -17.732 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.675 -17.664 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -5.783 -16.653 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.288 -17.495 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 486 -6.850 -15.706 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -6.045 -13.530 -5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -7.468 -12.929 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -9.272 -15.897 -6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -9.279 -14.257 -6.670 1.00 0.00 H new ATOM 890 N ASN A 487 -4.975 -22.190 -5.923 1.00 0.00 N ATOM 891 CA ASN A 487 -5.267 -23.611 -6.271 1.00 0.00 C ATOM 892 C ASN A 487 -4.540 -24.541 -5.298 1.00 0.00 C ATOM 893 O ASN A 487 -4.979 -25.644 -5.035 1.00 0.00 O ATOM 894 CB ASN A 487 -4.780 -23.900 -7.693 1.00 0.00 C ATOM 895 CG ASN A 487 -5.531 -23.010 -8.687 1.00 0.00 C ATOM 896 OD1 ASN A 487 -4.914 -22.585 -9.756 1.00 0.00 O flip ATOM 897 ND2 ASN A 487 -6.689 -22.699 -8.489 1.00 0.00 N flip ATOM 0 H ASN A 487 -4.500 -21.655 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.342 -23.780 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -3.708 -23.717 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -4.941 -24.950 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -7.171 -23.031 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -7.179 -22.106 -9.158 1.00 0.00 H new ATOM 904 N ILE A 488 -3.426 -24.113 -4.772 1.00 0.00 N ATOM 905 CA ILE A 488 -2.668 -24.983 -3.830 1.00 0.00 C ATOM 906 C ILE A 488 -3.118 -24.719 -2.392 1.00 0.00 C ATOM 907 O ILE A 488 -3.002 -25.570 -1.533 1.00 0.00 O ATOM 908 CB ILE A 488 -1.174 -24.688 -3.960 1.00 0.00 C ATOM 909 CG1 ILE A 488 -0.707 -25.049 -5.372 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.403 -25.523 -2.935 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.751 -24.623 -5.555 1.00 0.00 C ATOM 0 H ILE A 488 -3.008 -23.200 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 488 -2.860 -26.028 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 488 -0.991 -23.629 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -0.806 -26.122 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.337 -24.554 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.663 -25.315 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -0.739 -25.267 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -0.583 -26.582 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 488 1.082 -24.881 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.836 -23.546 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.375 -25.138 -4.825 1.00 0.00 H new ATOM 923 N CYS A 489 -3.632 -23.553 -2.121 1.00 0.00 N ATOM 924 CA CYS A 489 -4.086 -23.250 -0.735 1.00 0.00 C ATOM 925 C CYS A 489 -5.606 -23.405 -0.651 1.00 0.00 C ATOM 926 O CYS A 489 -6.168 -23.555 0.416 1.00 0.00 O ATOM 927 CB CYS A 489 -3.699 -21.815 -0.368 1.00 0.00 C ATOM 928 SG CYS A 489 -2.442 -21.841 0.932 1.00 0.00 S ATOM 0 H CYS A 489 -3.757 -22.799 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.610 -23.942 -0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.318 -21.294 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.577 -21.266 -0.028 1.00 0.00 H new ATOM 0 HG CYS A 489 -1.676 -20.797 0.816 1.00 0.00 H new ATOM 934 N TRP A 490 -6.277 -23.366 -1.769 1.00 0.00 N ATOM 935 CA TRP A 490 -7.761 -23.504 -1.757 1.00 0.00 C ATOM 936 C TRP A 490 -8.158 -24.866 -2.335 1.00 0.00 C ATOM 937 O TRP A 490 -8.229 -25.854 -1.630 1.00 0.00 O ATOM 938 CB TRP A 490 -8.380 -22.393 -2.604 1.00 0.00 C ATOM 939 CG TRP A 490 -8.078 -21.065 -1.988 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.456 -20.880 -0.801 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.369 -19.735 -2.508 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.349 -19.523 -0.558 1.00 0.00 N ATOM 943 CE2 TRP A 490 -7.897 -18.775 -1.581 1.00 0.00 C ATOM 944 CE3 TRP A 490 -8.992 -19.273 -3.680 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.037 -17.406 -1.812 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.135 -17.897 -3.915 1.00 0.00 C ATOM 947 CH2 TRP A 490 -8.659 -16.965 -2.983 1.00 0.00 C ATOM 0 H TRP A 490 -5.861 -23.244 -2.692 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.123 -23.428 -0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -7.985 -22.433 -3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.458 -22.535 -2.676 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.101 -21.665 -0.149 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -6.918 -19.123 0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.363 -19.982 -4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -7.667 -16.692 -1.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -9.615 -17.554 -4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -8.773 -15.907 -3.170 1.00 0.00 H new