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= -2.59! C(o=-4.2!,f=-2.6!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 CYS SG : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.888 USER MOD Single : A 462 GLN : amide:sc= 0.84 K(o=0.84,f=-1.4!) USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.00382 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= -4.47! C(o=-4.5!,f=-4.9!) USER MOD Single : A 489 CYS SG : rot 0:sc= -4.6! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 10.357 -11.646 4.050 1.00 0.00 N ATOM 35 CA LYS A 429 10.680 -13.062 3.721 1.00 0.00 C ATOM 36 C LYS A 429 9.398 -13.813 3.354 1.00 0.00 C ATOM 37 O LYS A 429 8.405 -13.748 4.052 1.00 0.00 O ATOM 38 CB LYS A 429 11.339 -13.733 4.928 1.00 0.00 C ATOM 39 CG LYS A 429 12.407 -14.717 4.443 1.00 0.00 C ATOM 40 CD LYS A 429 12.833 -15.621 5.602 1.00 0.00 C ATOM 41 CE LYS A 429 12.489 -17.074 5.267 1.00 0.00 C ATOM 42 NZ LYS A 429 11.811 -17.706 6.435 1.00 0.00 N ATOM 0 HA LYS A 429 11.366 -13.086 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.789 -12.980 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 429 10.589 -14.256 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 429 12.016 -15.319 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 429 13.269 -14.173 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.904 -15.521 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 429 12.327 -15.318 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 429 11.841 -17.113 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 429 13.395 -17.625 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 11.577 -18.694 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 12.445 -17.681 7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 10.938 -17.185 6.653 1.00 0.00 H new ATOM 56 N PRO A 430 9.432 -14.542 2.229 1.00 0.00 N ATOM 57 CA PRO A 430 8.290 -15.313 1.745 1.00 0.00 C ATOM 58 C PRO A 430 8.248 -16.720 2.350 1.00 0.00 C ATOM 59 O PRO A 430 9.257 -17.263 2.753 1.00 0.00 O ATOM 60 CB PRO A 430 8.548 -15.406 0.244 1.00 0.00 C ATOM 61 CG PRO A 430 10.033 -15.270 0.078 1.00 0.00 C ATOM 62 CD PRO A 430 10.595 -14.664 1.340 1.00 0.00 C ATOM 0 HA PRO A 430 7.340 -14.849 2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.195 -16.357 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.020 -14.618 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.485 -16.244 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.263 -14.640 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.366 -15.298 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 430 11.052 -13.694 1.147 1.00 0.00 H new ATOM 70 N ALA A 431 7.087 -17.315 2.411 1.00 0.00 N ATOM 71 CA ALA A 431 6.979 -18.685 2.985 1.00 0.00 C ATOM 72 C ALA A 431 7.573 -19.694 2.000 1.00 0.00 C ATOM 73 O ALA A 431 7.573 -19.482 0.804 1.00 0.00 O ATOM 74 CB ALA A 431 5.507 -19.019 3.233 1.00 0.00 C ATOM 0 H ALA A 431 6.208 -16.910 2.087 1.00 0.00 H new ATOM 0 HA ALA A 431 7.524 -18.731 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.427 -20.022 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.083 -18.298 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 431 4.960 -18.976 2.291 1.00 0.00 H new ATOM 80 N ASP A 432 8.082 -20.791 2.493 1.00 0.00 N ATOM 81 CA ASP A 432 8.676 -21.809 1.586 1.00 0.00 C ATOM 82 C ASP A 432 7.663 -22.180 0.500 1.00 0.00 C ATOM 83 O ASP A 432 8.025 -22.496 -0.615 1.00 0.00 O ATOM 84 CB ASP A 432 9.036 -23.060 2.391 1.00 0.00 C ATOM 85 CG ASP A 432 10.212 -22.750 3.320 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.809 -21.698 3.159 1.00 0.00 O ATOM 87 OD2 ASP A 432 10.496 -23.571 4.178 1.00 0.00 O ATOM 0 H ASP A 432 8.111 -21.024 3.486 1.00 0.00 H new ATOM 0 HA ASP A 432 9.574 -21.401 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 432 8.176 -23.390 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.297 -23.876 1.717 1.00 0.00 H new ATOM 92 N ASP A 433 6.397 -22.140 0.811 1.00 0.00 N ATOM 93 CA ASP A 433 5.375 -22.492 -0.214 1.00 0.00 C ATOM 94 C ASP A 433 5.522 -21.551 -1.407 1.00 0.00 C ATOM 95 O ASP A 433 5.456 -21.960 -2.549 1.00 0.00 O ATOM 96 CB ASP A 433 3.971 -22.345 0.382 1.00 0.00 C ATOM 97 CG ASP A 433 3.816 -23.297 1.570 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.651 -24.175 1.712 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.864 -23.134 2.316 1.00 0.00 O ATOM 0 H ASP A 433 6.027 -21.880 1.725 1.00 0.00 H new ATOM 0 HA ASP A 433 5.521 -23.523 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.807 -21.316 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 433 3.219 -22.566 -0.375 1.00 0.00 H new ATOM 104 N LEU A 434 5.730 -20.291 -1.147 1.00 0.00 N ATOM 105 CA LEU A 434 5.892 -19.314 -2.257 1.00 0.00 C ATOM 106 C LEU A 434 7.282 -19.476 -2.863 1.00 0.00 C ATOM 107 O LEU A 434 7.443 -19.628 -4.058 1.00 0.00 O ATOM 108 CB LEU A 434 5.739 -17.897 -1.705 1.00 0.00 C ATOM 109 CG LEU A 434 5.511 -16.916 -2.856 1.00 0.00 C ATOM 110 CD1 LEU A 434 4.009 -16.755 -3.101 1.00 0.00 C ATOM 111 CD2 LEU A 434 6.114 -15.557 -2.496 1.00 0.00 C ATOM 0 H LEU A 434 5.795 -19.895 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 434 5.135 -19.491 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.901 -17.856 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.632 -17.616 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 434 5.988 -17.300 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 434 3.847 -16.056 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 434 3.577 -17.722 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 434 3.532 -16.372 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 434 5.951 -14.858 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 434 5.637 -15.175 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.184 -15.669 -2.321 1.00 0.00 H new ATOM 123 N LEU A 435 8.286 -19.448 -2.038 1.00 0.00 N ATOM 124 CA LEU A 435 9.678 -19.604 -2.542 1.00 0.00 C ATOM 125 C LEU A 435 9.760 -20.844 -3.430 1.00 0.00 C ATOM 126 O LEU A 435 10.266 -20.802 -4.535 1.00 0.00 O ATOM 127 CB LEU A 435 10.630 -19.772 -1.358 1.00 0.00 C ATOM 128 CG LEU A 435 12.027 -19.288 -1.752 1.00 0.00 C ATOM 129 CD1 LEU A 435 11.957 -17.821 -2.180 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.973 -19.428 -0.560 1.00 0.00 C ATOM 0 H LEU A 435 8.204 -19.323 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 435 9.957 -18.721 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 435 10.265 -19.205 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 435 10.668 -20.818 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 435 12.399 -19.891 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 435 12.952 -17.476 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 435 11.285 -17.722 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.584 -17.218 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 435 13.968 -19.083 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.603 -18.827 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 435 13.024 -20.474 -0.257 1.00 0.00 H new ATOM 142 N ASN A 436 9.271 -21.948 -2.947 1.00 0.00 N ATOM 143 CA ASN A 436 9.317 -23.205 -3.744 1.00 0.00 C ATOM 144 C ASN A 436 8.182 -23.208 -4.772 1.00 0.00 C ATOM 145 O ASN A 436 8.029 -24.141 -5.535 1.00 0.00 O ATOM 146 CB ASN A 436 9.155 -24.400 -2.804 1.00 0.00 C ATOM 147 CG ASN A 436 10.195 -24.307 -1.685 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.799 -24.090 -0.461 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 11.380 -24.434 -1.928 1.00 0.00 N flip ATOM 0 H ASN A 436 8.838 -22.036 -2.028 1.00 0.00 H new ATOM 0 HA ASN A 436 10.272 -23.271 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 436 8.150 -24.412 -2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 436 9.280 -25.331 -3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.689 -24.604 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 436 12.065 -24.371 -1.175 1.00 0.00 H new ATOM 156 N LEU A 437 7.387 -22.175 -4.799 1.00 0.00 N ATOM 157 CA LEU A 437 6.267 -22.127 -5.780 1.00 0.00 C ATOM 158 C LEU A 437 6.831 -21.934 -7.190 1.00 0.00 C ATOM 159 O LEU A 437 7.602 -21.030 -7.443 1.00 0.00 O ATOM 160 CB LEU A 437 5.328 -20.968 -5.434 1.00 0.00 C ATOM 161 CG LEU A 437 4.043 -21.080 -6.261 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.584 -22.540 -6.314 1.00 0.00 C ATOM 163 CD2 LEU A 437 2.947 -20.229 -5.618 1.00 0.00 C ATOM 0 H LEU A 437 7.464 -21.364 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 437 5.709 -23.063 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 437 5.090 -20.985 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.820 -20.016 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 437 4.237 -20.726 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.670 -22.613 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 437 4.362 -23.149 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 437 3.393 -22.898 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.033 -20.308 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.759 -20.583 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.268 -19.188 -5.584 1.00 0.00 H new ATOM 175 N GLU A 438 6.457 -22.783 -8.108 1.00 0.00 N ATOM 176 CA GLU A 438 6.974 -22.663 -9.500 1.00 0.00 C ATOM 177 C GLU A 438 6.589 -21.303 -10.092 1.00 0.00 C ATOM 178 O GLU A 438 7.220 -20.817 -11.009 1.00 0.00 O ATOM 179 CB GLU A 438 6.377 -23.776 -10.360 1.00 0.00 C ATOM 180 CG GLU A 438 6.939 -23.679 -11.778 1.00 0.00 C ATOM 181 CD GLU A 438 6.267 -24.727 -12.667 1.00 0.00 C ATOM 182 OE1 GLU A 438 5.375 -25.403 -12.181 1.00 0.00 O ATOM 183 OE2 GLU A 438 6.654 -24.836 -13.819 1.00 0.00 O ATOM 0 H GLU A 438 5.812 -23.558 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 438 8.060 -22.749 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 438 6.613 -24.749 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 438 5.291 -23.691 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 438 6.767 -22.681 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 438 8.018 -23.836 -11.764 1.00 0.00 H new ATOM 190 N GLY A 439 5.559 -20.686 -9.581 1.00 0.00 N ATOM 191 CA GLY A 439 5.141 -19.362 -10.126 1.00 0.00 C ATOM 192 C GLY A 439 5.948 -18.250 -9.452 1.00 0.00 C ATOM 193 O GLY A 439 6.049 -17.150 -9.958 1.00 0.00 O ATOM 0 H GLY A 439 4.990 -21.040 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 439 5.297 -19.336 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.076 -19.207 -9.954 1.00 0.00 H new ATOM 197 N VAL A 440 6.517 -18.524 -8.312 1.00 0.00 N ATOM 198 CA VAL A 440 7.311 -17.478 -7.606 1.00 0.00 C ATOM 199 C VAL A 440 8.765 -17.931 -7.473 1.00 0.00 C ATOM 200 O VAL A 440 9.071 -18.874 -6.769 1.00 0.00 O ATOM 201 CB VAL A 440 6.720 -17.239 -6.214 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.578 -16.222 -5.462 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.295 -16.698 -6.353 1.00 0.00 C ATOM 0 H VAL A 440 6.467 -19.426 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 440 7.275 -16.552 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 440 6.702 -18.178 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 440 7.157 -16.052 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.594 -16.605 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.596 -15.282 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.872 -16.527 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.315 -15.759 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.682 -17.422 -6.889 1.00 0.00 H new ATOM 213 N ASP A 441 9.664 -17.262 -8.140 1.00 0.00 N ATOM 214 CA ASP A 441 11.099 -17.646 -8.048 1.00 0.00 C ATOM 215 C ASP A 441 11.658 -17.146 -6.719 1.00 0.00 C ATOM 216 O ASP A 441 10.981 -16.473 -5.966 1.00 0.00 O ATOM 217 CB ASP A 441 11.875 -17.002 -9.199 1.00 0.00 C ATOM 218 CG ASP A 441 11.321 -17.502 -10.535 1.00 0.00 C ATOM 219 OD1 ASP A 441 10.620 -18.500 -10.529 1.00 0.00 O ATOM 220 OD2 ASP A 441 11.610 -16.878 -11.544 1.00 0.00 O ATOM 0 H ASP A 441 9.466 -16.465 -8.745 1.00 0.00 H new ATOM 0 HA ASP A 441 11.197 -18.730 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 441 11.793 -15.916 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 441 12.934 -17.247 -9.119 1.00 0.00 H new ATOM 225 N ARG A 442 12.886 -17.459 -6.422 1.00 0.00 N ATOM 226 CA ARG A 442 13.476 -16.988 -5.142 1.00 0.00 C ATOM 227 C ARG A 442 13.380 -15.467 -5.098 1.00 0.00 C ATOM 228 O ARG A 442 12.984 -14.880 -4.111 1.00 0.00 O ATOM 229 CB ARG A 442 14.942 -17.421 -5.068 1.00 0.00 C ATOM 230 CG ARG A 442 15.616 -16.750 -3.868 1.00 0.00 C ATOM 231 CD ARG A 442 17.068 -17.226 -3.773 1.00 0.00 C ATOM 232 NE ARG A 442 17.654 -16.788 -2.474 1.00 0.00 N ATOM 233 CZ ARG A 442 18.211 -17.664 -1.683 1.00 0.00 C ATOM 234 NH1 ARG A 442 19.504 -17.651 -1.502 1.00 0.00 N ATOM 235 NH2 ARG A 442 17.476 -18.552 -1.072 1.00 0.00 N ATOM 0 H ARG A 442 13.505 -18.019 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 442 12.939 -17.417 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 442 15.007 -18.505 -4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.459 -17.148 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.583 -15.666 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 442 15.080 -16.995 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 442 17.111 -18.312 -3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.649 -16.820 -4.601 1.00 0.00 H new ATOM 0 HE ARG A 442 17.620 -15.805 -2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 442 20.079 -16.956 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 442 19.939 -18.336 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 442 16.466 -18.562 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 442 17.912 -19.237 -0.454 1.00 0.00 H new ATOM 249 N ASP A 443 13.744 -14.826 -6.171 1.00 0.00 N ATOM 250 CA ASP A 443 13.683 -13.340 -6.216 1.00 0.00 C ATOM 251 C ASP A 443 12.226 -12.878 -6.115 1.00 0.00 C ATOM 252 O ASP A 443 11.888 -12.044 -5.299 1.00 0.00 O ATOM 253 CB ASP A 443 14.281 -12.845 -7.534 1.00 0.00 C ATOM 254 CG ASP A 443 15.788 -13.110 -7.541 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.318 -13.434 -6.492 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.387 -12.982 -8.597 1.00 0.00 O ATOM 0 H ASP A 443 14.083 -15.270 -7.024 1.00 0.00 H new ATOM 0 HA ASP A 443 14.250 -12.932 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 443 13.808 -13.353 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.088 -11.779 -7.656 1.00 0.00 H new ATOM 261 N LEU A 444 11.356 -13.409 -6.935 1.00 0.00 N ATOM 262 CA LEU A 444 9.929 -12.985 -6.870 1.00 0.00 C ATOM 263 C LEU A 444 9.414 -13.194 -5.449 1.00 0.00 C ATOM 264 O LEU A 444 8.578 -12.457 -4.963 1.00 0.00 O ATOM 265 CB LEU A 444 9.098 -13.818 -7.847 1.00 0.00 C ATOM 266 CG LEU A 444 7.818 -13.056 -8.199 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.267 -13.572 -9.530 1.00 0.00 C ATOM 268 CD2 LEU A 444 6.779 -13.273 -7.097 1.00 0.00 C ATOM 0 H LEU A 444 11.571 -14.113 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 444 9.845 -11.933 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.674 -14.022 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 444 8.851 -14.782 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 444 8.039 -11.992 -8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.355 -13.030 -9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.008 -13.419 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.044 -14.636 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 444 5.866 -12.731 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.557 -14.337 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.172 -12.906 -6.149 1.00 0.00 H new ATOM 280 N ALA A 445 9.915 -14.188 -4.773 1.00 0.00 N ATOM 281 CA ALA A 445 9.466 -14.441 -3.379 1.00 0.00 C ATOM 282 C ALA A 445 9.792 -13.220 -2.520 1.00 0.00 C ATOM 283 O ALA A 445 9.045 -12.851 -1.636 1.00 0.00 O ATOM 284 CB ALA A 445 10.192 -15.669 -2.825 1.00 0.00 C ATOM 0 H ALA A 445 10.618 -14.837 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 445 8.391 -14.622 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.863 -15.855 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.963 -16.537 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.267 -15.491 -2.834 1.00 0.00 H new ATOM 290 N PHE A 446 10.900 -12.585 -2.782 1.00 0.00 N ATOM 291 CA PHE A 446 11.273 -11.380 -1.990 1.00 0.00 C ATOM 292 C PHE A 446 10.360 -10.222 -2.389 1.00 0.00 C ATOM 293 O PHE A 446 9.854 -9.501 -1.552 1.00 0.00 O ATOM 294 CB PHE A 446 12.730 -11.010 -2.276 1.00 0.00 C ATOM 295 CG PHE A 446 13.644 -11.993 -1.580 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.900 -11.862 -0.211 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.236 -13.033 -2.306 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.748 -12.771 0.434 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.084 -13.943 -1.663 1.00 0.00 C ATOM 300 CZ PHE A 446 15.340 -13.811 -0.292 1.00 0.00 C ATOM 0 H PHE A 446 11.564 -12.848 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 446 11.160 -11.587 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.916 -11.022 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.935 -9.997 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.443 -11.059 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.039 -13.134 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.945 -12.670 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.540 -14.746 -2.223 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.994 -14.512 0.205 1.00 0.00 H new ATOM 310 N LYS A 447 10.137 -10.043 -3.662 1.00 0.00 N ATOM 311 CA LYS A 447 9.245 -8.939 -4.112 1.00 0.00 C ATOM 312 C LYS A 447 7.857 -9.149 -3.507 1.00 0.00 C ATOM 313 O LYS A 447 7.194 -8.214 -3.103 1.00 0.00 O ATOM 314 CB LYS A 447 9.147 -8.948 -5.639 1.00 0.00 C ATOM 315 CG LYS A 447 8.347 -7.731 -6.108 1.00 0.00 C ATOM 316 CD LYS A 447 9.181 -6.465 -5.907 1.00 0.00 C ATOM 317 CE LYS A 447 8.390 -5.249 -6.391 1.00 0.00 C ATOM 318 NZ LYS A 447 9.308 -4.306 -7.092 1.00 0.00 N ATOM 0 H LYS A 447 10.534 -10.613 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 447 9.649 -7.980 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.145 -8.931 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.665 -9.865 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 447 8.080 -7.841 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 447 7.414 -7.658 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 447 9.437 -6.349 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 447 10.119 -6.544 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 447 7.593 -5.565 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 447 7.915 -4.751 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 8.771 -3.479 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 10.054 -3.996 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 9.741 -4.785 -7.908 1.00 0.00 H new ATOM 332 N LEU A 448 7.417 -10.376 -3.432 1.00 0.00 N ATOM 333 CA LEU A 448 6.079 -10.656 -2.845 1.00 0.00 C ATOM 334 C LEU A 448 6.167 -10.533 -1.323 1.00 0.00 C ATOM 335 O LEU A 448 5.363 -9.872 -0.695 1.00 0.00 O ATOM 336 CB LEU A 448 5.644 -12.075 -3.220 1.00 0.00 C ATOM 337 CG LEU A 448 4.160 -12.257 -2.901 1.00 0.00 C ATOM 338 CD1 LEU A 448 3.351 -12.244 -4.200 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.950 -13.593 -2.183 1.00 0.00 C ATOM 0 H LEU A 448 7.929 -11.197 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 448 5.350 -9.943 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.823 -12.253 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.237 -12.806 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 448 3.827 -11.443 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 448 2.293 -12.374 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.498 -11.292 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.685 -13.057 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.892 -13.722 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 448 4.285 -14.408 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 448 4.524 -13.602 -1.256 1.00 0.00 H new ATOM 351 N ALA A 449 7.145 -11.159 -0.724 1.00 0.00 N ATOM 352 CA ALA A 449 7.290 -11.070 0.757 1.00 0.00 C ATOM 353 C ALA A 449 7.434 -9.603 1.154 1.00 0.00 C ATOM 354 O ALA A 449 6.883 -9.155 2.141 1.00 0.00 O ATOM 355 CB ALA A 449 8.535 -11.846 1.197 1.00 0.00 C ATOM 0 H ALA A 449 7.848 -11.727 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 449 6.412 -11.498 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.641 -11.781 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.434 -12.891 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.417 -11.419 0.720 1.00 0.00 H new ATOM 361 N ALA A 450 8.160 -8.846 0.381 1.00 0.00 N ATOM 362 CA ALA A 450 8.332 -7.402 0.701 1.00 0.00 C ATOM 363 C ALA A 450 7.047 -6.655 0.338 1.00 0.00 C ATOM 364 O ALA A 450 6.924 -5.466 0.555 1.00 0.00 O ATOM 365 CB ALA A 450 9.500 -6.832 -0.109 1.00 0.00 C ATOM 0 H ALA A 450 8.642 -9.165 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 450 8.541 -7.283 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.624 -5.775 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.414 -7.370 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 450 9.294 -6.945 -1.173 1.00 0.00 H new ATOM 371 N ARG A 451 6.090 -7.348 -0.215 1.00 0.00 N ATOM 372 CA ARG A 451 4.811 -6.687 -0.595 1.00 0.00 C ATOM 373 C ARG A 451 3.743 -6.993 0.457 1.00 0.00 C ATOM 374 O ARG A 451 2.572 -6.733 0.261 1.00 0.00 O ATOM 375 CB ARG A 451 4.354 -7.215 -1.957 1.00 0.00 C ATOM 376 CG ARG A 451 3.230 -6.329 -2.500 1.00 0.00 C ATOM 377 CD ARG A 451 3.807 -4.983 -2.938 1.00 0.00 C ATOM 378 NE ARG A 451 2.706 -4.110 -3.433 1.00 0.00 N ATOM 379 CZ ARG A 451 2.083 -3.314 -2.608 1.00 0.00 C ATOM 380 NH1 ARG A 451 2.191 -3.496 -1.320 1.00 0.00 N ATOM 381 NH2 ARG A 451 1.351 -2.337 -3.071 1.00 0.00 N ATOM 0 H ARG A 451 6.139 -8.346 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 451 4.961 -5.609 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 451 5.192 -7.225 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 451 4.006 -8.244 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 451 2.742 -6.819 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 451 2.469 -6.178 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.318 -4.504 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 451 4.549 -5.131 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 451 2.439 -4.135 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 451 2.762 -4.260 -0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 451 1.704 -2.874 -0.674 1.00 0.00 H new ATOM 0 HH21 ARG A 451 1.266 -2.196 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 451 0.864 -1.715 -2.426 1.00 0.00 H new ATOM 395 N GLY A 452 4.134 -7.541 1.576 1.00 0.00 N ATOM 396 CA GLY A 452 3.136 -7.856 2.636 1.00 0.00 C ATOM 397 C GLY A 452 2.702 -9.320 2.517 1.00 0.00 C ATOM 398 O GLY A 452 2.110 -9.875 3.421 1.00 0.00 O ATOM 0 H GLY A 452 5.099 -7.783 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.567 -7.673 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.270 -7.201 2.540 1.00 0.00 H new ATOM 402 N VAL A 453 2.994 -9.950 1.412 1.00 0.00 N ATOM 403 CA VAL A 453 2.599 -11.377 1.244 1.00 0.00 C ATOM 404 C VAL A 453 3.772 -12.273 1.639 1.00 0.00 C ATOM 405 O VAL A 453 4.667 -12.523 0.856 1.00 0.00 O ATOM 406 CB VAL A 453 2.227 -11.640 -0.218 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.098 -12.668 -0.279 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.763 -10.339 -0.876 1.00 0.00 C ATOM 0 H VAL A 453 3.488 -9.539 0.620 1.00 0.00 H new ATOM 0 HA VAL A 453 1.740 -11.594 1.879 1.00 0.00 H new ATOM 0 HB VAL A 453 3.100 -12.022 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 453 0.833 -12.856 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.427 -13.598 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.228 -12.285 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.499 -10.531 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.892 -9.954 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.567 -9.604 -0.835 1.00 0.00 H new ATOM 418 N CYS A 454 3.782 -12.755 2.852 1.00 0.00 N ATOM 419 CA CYS A 454 4.904 -13.626 3.297 1.00 0.00 C ATOM 420 C CYS A 454 4.482 -15.096 3.223 1.00 0.00 C ATOM 421 O CYS A 454 5.285 -15.988 3.410 1.00 0.00 O ATOM 422 CB CYS A 454 5.276 -13.277 4.739 1.00 0.00 C ATOM 423 SG CYS A 454 5.309 -11.478 4.935 1.00 0.00 S ATOM 0 H CYS A 454 3.061 -12.583 3.553 1.00 0.00 H new ATOM 0 HA CYS A 454 5.763 -13.466 2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.554 -13.715 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.250 -13.698 4.987 1.00 0.00 H new ATOM 0 HG CYS A 454 5.623 -11.181 6.161 1.00 0.00 H new ATOM 429 N THR A 455 3.232 -15.359 2.956 1.00 0.00 N ATOM 430 CA THR A 455 2.778 -16.777 2.881 1.00 0.00 C ATOM 431 C THR A 455 1.937 -16.986 1.621 1.00 0.00 C ATOM 432 O THR A 455 1.342 -16.065 1.099 1.00 0.00 O ATOM 433 CB THR A 455 1.937 -17.108 4.114 1.00 0.00 C ATOM 434 OG1 THR A 455 1.112 -15.997 4.434 1.00 0.00 O ATOM 435 CG2 THR A 455 2.858 -17.420 5.294 1.00 0.00 C ATOM 0 H THR A 455 2.510 -14.659 2.788 1.00 0.00 H new ATOM 0 HA THR A 455 3.649 -17.432 2.845 1.00 0.00 H new ATOM 0 HB THR A 455 1.312 -17.977 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 455 0.571 -16.208 5.224 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.257 -17.656 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.490 -18.273 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.485 -16.554 5.505 1.00 0.00 H new ATOM 443 N LEU A 456 1.881 -18.195 1.135 1.00 0.00 N ATOM 444 CA LEU A 456 1.075 -18.470 -0.086 1.00 0.00 C ATOM 445 C LEU A 456 -0.363 -18.010 0.149 1.00 0.00 C ATOM 446 O LEU A 456 -1.004 -17.468 -0.730 1.00 0.00 O ATOM 447 CB LEU A 456 1.092 -19.970 -0.381 1.00 0.00 C ATOM 448 CG LEU A 456 0.436 -20.226 -1.739 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.328 -19.670 -2.851 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.253 -21.729 -1.945 1.00 0.00 C ATOM 0 H LEU A 456 2.359 -19.004 1.531 1.00 0.00 H new ATOM 0 HA LEU A 456 1.497 -17.932 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.117 -20.340 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 456 0.560 -20.512 0.401 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.536 -19.733 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 456 0.860 -19.853 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 456 1.461 -18.597 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.300 -20.163 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.215 -21.909 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 456 1.225 -22.221 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.382 -22.130 -1.155 1.00 0.00 H new ATOM 462 N GLU A 457 -0.875 -18.218 1.331 1.00 0.00 N ATOM 463 CA GLU A 457 -2.268 -17.787 1.625 1.00 0.00 C ATOM 464 C GLU A 457 -2.374 -16.277 1.419 1.00 0.00 C ATOM 465 O GLU A 457 -3.325 -15.781 0.848 1.00 0.00 O ATOM 466 CB GLU A 457 -2.617 -18.131 3.074 1.00 0.00 C ATOM 467 CG GLU A 457 -2.804 -19.644 3.209 1.00 0.00 C ATOM 468 CD GLU A 457 -3.217 -19.981 4.643 1.00 0.00 C ATOM 469 OE1 GLU A 457 -3.254 -19.073 5.456 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.490 -21.142 4.902 1.00 0.00 O ATOM 0 H GLU A 457 -0.387 -18.668 2.105 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.961 -18.301 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.824 -17.791 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.529 -17.613 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.564 -19.991 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.878 -20.160 2.955 1.00 0.00 H new ATOM 477 N ASP A 458 -1.396 -15.544 1.872 1.00 0.00 N ATOM 478 CA ASP A 458 -1.431 -14.067 1.696 1.00 0.00 C ATOM 479 C ASP A 458 -1.495 -13.747 0.203 1.00 0.00 C ATOM 480 O ASP A 458 -2.114 -12.789 -0.213 1.00 0.00 O ATOM 481 CB ASP A 458 -0.168 -13.448 2.299 1.00 0.00 C ATOM 482 CG ASP A 458 -0.217 -13.573 3.824 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.269 -13.916 4.337 1.00 0.00 O ATOM 484 OD2 ASP A 458 0.800 -13.325 4.451 1.00 0.00 O ATOM 0 H ASP A 458 -0.574 -15.905 2.357 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.306 -13.656 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.718 -13.951 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -0.091 -12.399 2.012 1.00 0.00 H new ATOM 489 N LEU A 459 -0.859 -14.549 -0.608 1.00 0.00 N ATOM 490 CA LEU A 459 -0.881 -14.298 -2.076 1.00 0.00 C ATOM 491 C LEU A 459 -2.257 -14.681 -2.628 1.00 0.00 C ATOM 492 O LEU A 459 -2.784 -14.034 -3.511 1.00 0.00 O ATOM 493 CB LEU A 459 0.202 -15.142 -2.753 1.00 0.00 C ATOM 494 CG LEU A 459 0.128 -14.954 -4.270 1.00 0.00 C ATOM 495 CD1 LEU A 459 1.464 -15.357 -4.898 1.00 0.00 C ATOM 496 CD2 LEU A 459 -0.986 -15.834 -4.837 1.00 0.00 C ATOM 0 H LEU A 459 -0.325 -15.368 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.689 -13.244 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.186 -14.849 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.068 -16.194 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 459 -0.081 -13.909 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 459 1.413 -15.224 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 459 2.260 -14.732 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 459 1.672 -16.403 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 459 -1.040 -15.701 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 459 -0.775 -16.879 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 459 -1.938 -15.550 -4.388 1.00 0.00 H new ATOM 508 N ALA A 460 -2.846 -15.722 -2.106 1.00 0.00 N ATOM 509 CA ALA A 460 -4.190 -16.140 -2.592 1.00 0.00 C ATOM 510 C ALA A 460 -5.172 -14.984 -2.398 1.00 0.00 C ATOM 511 O ALA A 460 -6.166 -14.874 -3.088 1.00 0.00 O ATOM 512 CB ALA A 460 -4.667 -17.352 -1.790 1.00 0.00 C ATOM 0 H ALA A 460 -2.454 -16.301 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 460 -4.134 -16.404 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.651 -17.659 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.962 -18.174 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.728 -17.088 -0.734 1.00 0.00 H new ATOM 518 N GLU A 461 -4.897 -14.120 -1.458 1.00 0.00 N ATOM 519 CA GLU A 461 -5.808 -12.968 -1.211 1.00 0.00 C ATOM 520 C GLU A 461 -5.464 -11.827 -2.168 1.00 0.00 C ATOM 521 O GLU A 461 -6.189 -10.858 -2.276 1.00 0.00 O ATOM 522 CB GLU A 461 -5.642 -12.488 0.232 1.00 0.00 C ATOM 523 CG GLU A 461 -6.104 -13.586 1.191 1.00 0.00 C ATOM 524 CD GLU A 461 -6.015 -13.074 2.630 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.484 -11.992 2.821 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.480 -13.772 3.516 1.00 0.00 O ATOM 0 H GLU A 461 -4.079 -14.163 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.839 -13.281 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -4.599 -12.237 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -6.224 -11.581 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -7.128 -13.879 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -5.484 -14.474 1.070 1.00 0.00 H new ATOM 533 N GLN A 462 -4.364 -11.929 -2.864 1.00 0.00 N ATOM 534 CA GLN A 462 -3.985 -10.845 -3.810 1.00 0.00 C ATOM 535 C GLN A 462 -4.759 -11.011 -5.114 1.00 0.00 C ATOM 536 O GLN A 462 -5.277 -12.068 -5.413 1.00 0.00 O ATOM 537 CB GLN A 462 -2.488 -10.915 -4.107 1.00 0.00 C ATOM 538 CG GLN A 462 -1.719 -11.150 -2.810 1.00 0.00 C ATOM 539 CD GLN A 462 -1.791 -9.894 -1.938 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.859 -8.792 -2.444 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.779 -10.017 -0.640 1.00 0.00 N ATOM 0 H GLN A 462 -3.714 -12.714 -2.818 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.223 -9.882 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.284 -11.720 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.156 -9.988 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -2.139 -12.002 -2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.680 -11.393 -3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.722 -10.943 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.827 -9.187 -0.049 1.00 0.00 H new ATOM 550 N GLY A 463 -4.840 -9.972 -5.896 1.00 0.00 N ATOM 551 CA GLY A 463 -5.577 -10.063 -7.186 1.00 0.00 C ATOM 552 C GLY A 463 -4.659 -9.622 -8.327 1.00 0.00 C ATOM 553 O GLY A 463 -3.688 -8.921 -8.119 1.00 0.00 O ATOM 0 H GLY A 463 -4.426 -9.061 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.917 -11.085 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.466 -9.433 -7.155 1.00 0.00 H new ATOM 557 N ILE A 464 -4.956 -10.027 -9.531 1.00 0.00 N ATOM 558 CA ILE A 464 -4.099 -9.632 -10.684 1.00 0.00 C ATOM 559 C ILE A 464 -3.876 -8.119 -10.666 1.00 0.00 C ATOM 560 O ILE A 464 -2.805 -7.634 -10.974 1.00 0.00 O ATOM 561 CB ILE A 464 -4.791 -10.028 -11.989 1.00 0.00 C ATOM 562 CG1 ILE A 464 -4.987 -11.544 -12.023 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.926 -9.597 -13.173 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.793 -11.927 -13.266 1.00 0.00 C ATOM 0 H ILE A 464 -5.756 -10.615 -9.766 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.137 -10.139 -10.610 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.762 -9.537 -12.051 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.020 -12.046 -12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.507 -11.874 -11.124 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.418 -9.878 -14.104 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.788 -8.516 -13.148 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.955 -10.089 -13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -5.933 -13.008 -13.290 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.766 -11.436 -13.235 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.256 -11.610 -14.160 1.00 0.00 H new ATOM 576 N ASP A 465 -4.882 -7.370 -10.313 1.00 0.00 N ATOM 577 CA ASP A 465 -4.737 -5.886 -10.279 1.00 0.00 C ATOM 578 C ASP A 465 -3.801 -5.483 -9.139 1.00 0.00 C ATOM 579 O ASP A 465 -3.012 -4.568 -9.266 1.00 0.00 O ATOM 580 CB ASP A 465 -6.108 -5.244 -10.065 1.00 0.00 C ATOM 581 CG ASP A 465 -6.981 -5.479 -11.299 1.00 0.00 C ATOM 582 OD1 ASP A 465 -6.442 -5.897 -12.310 1.00 0.00 O ATOM 583 OD2 ASP A 465 -8.174 -5.238 -11.211 1.00 0.00 O ATOM 0 H ASP A 465 -5.802 -7.721 -10.046 1.00 0.00 H new ATOM 0 HA ASP A 465 -4.318 -5.544 -11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.586 -5.669 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -5.996 -4.175 -9.884 1.00 0.00 H new ATOM 588 N ASP A 466 -3.884 -6.154 -8.026 1.00 0.00 N ATOM 589 CA ASP A 466 -2.998 -5.803 -6.879 1.00 0.00 C ATOM 590 C ASP A 466 -1.550 -6.150 -7.231 1.00 0.00 C ATOM 591 O ASP A 466 -0.649 -5.357 -7.044 1.00 0.00 O ATOM 592 CB ASP A 466 -3.426 -6.592 -5.642 1.00 0.00 C ATOM 593 CG ASP A 466 -4.833 -6.161 -5.225 1.00 0.00 C ATOM 594 OD1 ASP A 466 -5.285 -5.135 -5.706 1.00 0.00 O ATOM 595 OD2 ASP A 466 -5.437 -6.865 -4.432 1.00 0.00 O ATOM 0 H ASP A 466 -4.525 -6.929 -7.859 1.00 0.00 H new ATOM 0 HA ASP A 466 -3.077 -4.736 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.410 -7.661 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.724 -6.419 -4.826 1.00 0.00 H new ATOM 600 N LEU A 467 -1.320 -7.329 -7.740 1.00 0.00 N ATOM 601 CA LEU A 467 0.070 -7.723 -8.105 1.00 0.00 C ATOM 602 C LEU A 467 0.570 -6.825 -9.238 1.00 0.00 C ATOM 603 O LEU A 467 1.749 -6.563 -9.361 1.00 0.00 O ATOM 604 CB LEU A 467 0.087 -9.182 -8.566 1.00 0.00 C ATOM 605 CG LEU A 467 -0.472 -10.077 -7.457 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.096 -11.533 -7.741 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.114 -9.652 -6.108 1.00 0.00 C ATOM 0 H LEU A 467 -2.033 -8.036 -7.919 1.00 0.00 H new ATOM 0 HA LEU A 467 0.719 -7.612 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.508 -9.295 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.105 -9.484 -8.813 1.00 0.00 H new ATOM 0 HG LEU A 467 -1.557 -9.980 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.493 -12.172 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.516 -11.837 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 467 0.989 -11.629 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.286 -10.291 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 467 1.199 -9.747 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.154 -8.615 -5.905 1.00 0.00 H new ATOM 619 N ALA A 468 -0.320 -6.350 -10.067 1.00 0.00 N ATOM 620 CA ALA A 468 0.104 -5.467 -11.190 1.00 0.00 C ATOM 621 C ALA A 468 1.113 -4.440 -10.674 1.00 0.00 C ATOM 622 O ALA A 468 2.026 -4.047 -11.372 1.00 0.00 O ATOM 623 CB ALA A 468 -1.117 -4.743 -11.760 1.00 0.00 C ATOM 0 H ALA A 468 -1.322 -6.535 -10.015 1.00 0.00 H new ATOM 0 HA ALA A 468 0.565 -6.069 -11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.806 -4.097 -12.581 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.836 -5.476 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.580 -4.140 -10.979 1.00 0.00 H new ATOM 629 N ASP A 469 0.954 -4.005 -9.455 1.00 0.00 N ATOM 630 CA ASP A 469 1.903 -3.007 -8.890 1.00 0.00 C ATOM 631 C ASP A 469 3.311 -3.601 -8.866 1.00 0.00 C ATOM 632 O ASP A 469 4.296 -2.896 -8.950 1.00 0.00 O ATOM 633 CB ASP A 469 1.477 -2.649 -7.464 1.00 0.00 C ATOM 634 CG ASP A 469 0.130 -1.925 -7.499 1.00 0.00 C ATOM 635 OD1 ASP A 469 -0.267 -1.505 -8.574 1.00 0.00 O ATOM 636 OD2 ASP A 469 -0.482 -1.801 -6.450 1.00 0.00 O ATOM 0 H ASP A 469 0.207 -4.298 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 469 1.897 -2.109 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.400 -3.552 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.230 -2.015 -6.997 1.00 0.00 H new ATOM 641 N ILE A 470 3.414 -4.898 -8.753 1.00 0.00 N ATOM 642 CA ILE A 470 4.758 -5.542 -8.726 1.00 0.00 C ATOM 643 C ILE A 470 5.453 -5.326 -10.071 1.00 0.00 C ATOM 644 O ILE A 470 4.831 -4.973 -11.054 1.00 0.00 O ATOM 645 CB ILE A 470 4.599 -7.043 -8.469 1.00 0.00 C ATOM 646 CG1 ILE A 470 3.732 -7.261 -7.229 1.00 0.00 C ATOM 647 CG2 ILE A 470 5.976 -7.670 -8.244 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.292 -6.441 -6.065 1.00 0.00 C ATOM 0 H ILE A 470 2.624 -5.539 -8.678 1.00 0.00 H new ATOM 0 HA ILE A 470 5.358 -5.099 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 470 4.122 -7.510 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 470 2.703 -6.965 -7.435 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.713 -8.319 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 470 5.864 -8.739 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.595 -7.516 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.452 -7.202 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 470 3.674 -6.596 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.313 -6.758 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.288 -5.384 -6.330 1.00 0.00 H new ATOM 660 N GLU A 471 6.740 -5.536 -10.124 1.00 0.00 N ATOM 661 CA GLU A 471 7.474 -5.346 -11.407 1.00 0.00 C ATOM 662 C GLU A 471 7.880 -6.712 -11.966 1.00 0.00 C ATOM 663 O GLU A 471 8.330 -7.578 -11.244 1.00 0.00 O ATOM 664 CB GLU A 471 8.724 -4.499 -11.160 1.00 0.00 C ATOM 665 CG GLU A 471 9.375 -4.154 -12.501 1.00 0.00 C ATOM 666 CD GLU A 471 10.664 -3.367 -12.254 1.00 0.00 C ATOM 667 OE1 GLU A 471 10.983 -3.137 -11.099 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.309 -3.007 -13.225 1.00 0.00 O ATOM 0 H GLU A 471 7.315 -5.831 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 471 6.830 -4.837 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.459 -3.586 -10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.428 -5.044 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.594 -5.066 -13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.688 -3.566 -13.110 1.00 0.00 H new ATOM 675 N GLY A 472 7.722 -6.911 -13.246 1.00 0.00 N ATOM 676 CA GLY A 472 8.095 -8.221 -13.847 1.00 0.00 C ATOM 677 C GLY A 472 6.876 -9.147 -13.845 1.00 0.00 C ATOM 678 O GLY A 472 6.933 -10.269 -14.309 1.00 0.00 O ATOM 0 H GLY A 472 7.351 -6.223 -13.901 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.454 -8.077 -14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.910 -8.674 -13.283 1.00 0.00 H new ATOM 682 N LEU A 473 5.770 -8.685 -13.324 1.00 0.00 N ATOM 683 CA LEU A 473 4.548 -9.536 -13.290 1.00 0.00 C ATOM 684 C LEU A 473 3.547 -9.035 -14.333 1.00 0.00 C ATOM 685 O LEU A 473 3.299 -7.852 -14.452 1.00 0.00 O ATOM 686 CB LEU A 473 3.914 -9.458 -11.899 1.00 0.00 C ATOM 687 CG LEU A 473 2.937 -10.620 -11.720 1.00 0.00 C ATOM 688 CD1 LEU A 473 2.811 -10.957 -10.232 1.00 0.00 C ATOM 689 CD2 LEU A 473 1.567 -10.223 -12.272 1.00 0.00 C ATOM 0 H LEU A 473 5.662 -7.754 -12.921 1.00 0.00 H new ATOM 0 HA LEU A 473 4.818 -10.569 -13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.688 -9.497 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 473 3.393 -8.508 -11.778 1.00 0.00 H new ATOM 0 HG LEU A 473 3.307 -11.492 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.114 -11.786 -10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 473 3.788 -11.240 -9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 473 2.441 -10.086 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 473 0.870 -11.051 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 473 1.197 -9.351 -11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 473 1.657 -9.984 -13.332 1.00 0.00 H new ATOM 701 N THR A 474 2.969 -9.927 -15.091 1.00 0.00 N ATOM 702 CA THR A 474 1.984 -9.501 -16.124 1.00 0.00 C ATOM 703 C THR A 474 0.575 -9.884 -15.670 1.00 0.00 C ATOM 704 O THR A 474 0.398 -10.645 -14.739 1.00 0.00 O ATOM 705 CB THR A 474 2.300 -10.199 -17.449 1.00 0.00 C ATOM 706 OG1 THR A 474 3.316 -11.169 -17.242 1.00 0.00 O ATOM 707 CG2 THR A 474 2.775 -9.167 -18.473 1.00 0.00 C ATOM 0 H THR A 474 3.137 -10.932 -15.039 1.00 0.00 H new ATOM 0 HA THR A 474 2.042 -8.421 -16.260 1.00 0.00 H new ATOM 0 HB THR A 474 1.402 -10.690 -17.824 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.518 -11.618 -18.090 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.999 -9.666 -19.416 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.992 -8.426 -18.632 1.00 0.00 H new ATOM 0 HG23 THR A 474 3.673 -8.673 -18.102 1.00 0.00 H new ATOM 715 N ASP A 475 -0.430 -9.366 -16.320 1.00 0.00 N ATOM 716 CA ASP A 475 -1.826 -9.706 -15.924 1.00 0.00 C ATOM 717 C ASP A 475 -2.040 -11.214 -16.069 1.00 0.00 C ATOM 718 O ASP A 475 -2.583 -11.861 -15.196 1.00 0.00 O ATOM 719 CB ASP A 475 -2.808 -8.961 -16.830 1.00 0.00 C ATOM 720 CG ASP A 475 -2.716 -7.459 -16.554 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.114 -7.095 -15.557 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.249 -6.697 -17.344 1.00 0.00 O ATOM 0 H ASP A 475 -0.346 -8.723 -17.107 1.00 0.00 H new ATOM 0 HA ASP A 475 -1.994 -9.412 -14.888 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.580 -9.164 -17.876 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -3.824 -9.313 -16.651 1.00 0.00 H new ATOM 727 N GLU A 476 -1.617 -11.779 -17.168 1.00 0.00 N ATOM 728 CA GLU A 476 -1.795 -13.243 -17.368 1.00 0.00 C ATOM 729 C GLU A 476 -0.914 -14.008 -16.378 1.00 0.00 C ATOM 730 O GLU A 476 -1.328 -14.991 -15.796 1.00 0.00 O ATOM 731 CB GLU A 476 -1.397 -13.613 -18.799 1.00 0.00 C ATOM 732 CG GLU A 476 -1.708 -15.090 -19.051 1.00 0.00 C ATOM 733 CD GLU A 476 -1.214 -15.485 -20.445 1.00 0.00 C ATOM 734 OE1 GLU A 476 -0.647 -14.637 -21.113 1.00 0.00 O ATOM 735 OE2 GLU A 476 -1.411 -16.630 -20.819 1.00 0.00 O ATOM 0 H GLU A 476 -1.156 -11.289 -17.935 1.00 0.00 H new ATOM 0 HA GLU A 476 -2.839 -13.507 -17.200 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -1.939 -12.990 -19.511 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -0.335 -13.423 -18.953 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -1.226 -15.708 -18.294 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.781 -15.266 -18.970 1.00 0.00 H new ATOM 742 N LYS A 477 0.298 -13.563 -16.180 1.00 0.00 N ATOM 743 CA LYS A 477 1.199 -14.265 -15.225 1.00 0.00 C ATOM 744 C LYS A 477 0.585 -14.220 -13.827 1.00 0.00 C ATOM 745 O LYS A 477 0.552 -15.205 -13.117 1.00 0.00 O ATOM 746 CB LYS A 477 2.565 -13.574 -15.208 1.00 0.00 C ATOM 747 CG LYS A 477 3.532 -14.378 -14.337 1.00 0.00 C ATOM 748 CD LYS A 477 4.878 -13.652 -14.269 1.00 0.00 C ATOM 749 CE LYS A 477 5.890 -14.521 -13.522 1.00 0.00 C ATOM 750 NZ LYS A 477 7.237 -14.354 -14.136 1.00 0.00 N ATOM 0 H LYS A 477 0.701 -12.745 -16.638 1.00 0.00 H new ATOM 0 HA LYS A 477 1.324 -15.302 -15.535 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.955 -13.491 -16.222 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.467 -12.560 -14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 477 3.121 -14.500 -13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 477 3.666 -15.378 -14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.239 -13.438 -15.275 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.761 -12.694 -13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.921 -14.239 -12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.587 -15.567 -13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.926 -14.945 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.202 -14.644 -15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.525 -13.357 -14.075 1.00 0.00 H new ATOM 764 N ALA A 478 0.093 -13.081 -13.431 1.00 0.00 N ATOM 765 CA ALA A 478 -0.526 -12.965 -12.082 1.00 0.00 C ATOM 766 C ALA A 478 -1.752 -13.878 -12.005 1.00 0.00 C ATOM 767 O ALA A 478 -2.024 -14.485 -10.989 1.00 0.00 O ATOM 768 CB ALA A 478 -0.955 -11.517 -11.840 1.00 0.00 C ATOM 0 H ALA A 478 0.093 -12.224 -13.984 1.00 0.00 H new ATOM 0 HA ALA A 478 0.198 -13.261 -11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.408 -11.432 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.083 -10.865 -11.897 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.680 -11.221 -12.598 1.00 0.00 H new ATOM 774 N GLY A 479 -2.497 -13.977 -13.073 1.00 0.00 N ATOM 775 CA GLY A 479 -3.706 -14.849 -13.061 1.00 0.00 C ATOM 776 C GLY A 479 -3.302 -16.287 -12.734 1.00 0.00 C ATOM 777 O GLY A 479 -3.972 -16.974 -11.991 1.00 0.00 O ATOM 0 H GLY A 479 -2.320 -13.492 -13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.421 -14.485 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.202 -14.812 -14.031 1.00 0.00 H new ATOM 781 N ALA A 480 -2.211 -16.745 -13.280 1.00 0.00 N ATOM 782 CA ALA A 480 -1.765 -18.140 -12.997 1.00 0.00 C ATOM 783 C ALA A 480 -1.041 -18.182 -11.651 1.00 0.00 C ATOM 784 O ALA A 480 -1.322 -19.014 -10.811 1.00 0.00 O ATOM 785 CB ALA A 480 -0.815 -18.609 -14.101 1.00 0.00 C ATOM 0 H ALA A 480 -1.608 -16.215 -13.910 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.634 -18.797 -12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -0.490 -19.628 -13.893 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.331 -18.582 -15.061 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.054 -17.952 -14.137 1.00 0.00 H new ATOM 791 N LEU A 481 -0.111 -17.292 -11.439 1.00 0.00 N ATOM 792 CA LEU A 481 0.628 -17.283 -10.146 1.00 0.00 C ATOM 793 C LEU A 481 -0.374 -17.168 -8.995 1.00 0.00 C ATOM 794 O LEU A 481 -0.371 -17.962 -8.076 1.00 0.00 O ATOM 795 CB LEU A 481 1.589 -16.092 -10.119 1.00 0.00 C ATOM 796 CG LEU A 481 2.978 -16.555 -10.561 1.00 0.00 C ATOM 797 CD1 LEU A 481 2.952 -16.888 -12.055 1.00 0.00 C ATOM 798 CD2 LEU A 481 3.997 -15.442 -10.305 1.00 0.00 C ATOM 0 H LEU A 481 0.169 -16.572 -12.105 1.00 0.00 H new ATOM 0 HA LEU A 481 1.198 -18.206 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.228 -15.304 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.636 -15.670 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 481 3.261 -17.442 -9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 481 3.941 -17.218 -12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.229 -17.682 -12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 481 2.667 -16.001 -12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 481 4.986 -15.774 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 481 3.715 -14.554 -10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 481 4.017 -15.204 -9.241 1.00 0.00 H new ATOM 810 N ILE A 482 -1.236 -16.190 -9.044 1.00 0.00 N ATOM 811 CA ILE A 482 -2.242 -16.030 -7.958 1.00 0.00 C ATOM 812 C ILE A 482 -3.189 -17.229 -7.971 1.00 0.00 C ATOM 813 O ILE A 482 -3.686 -17.657 -6.947 1.00 0.00 O ATOM 814 CB ILE A 482 -3.047 -14.752 -8.192 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.121 -13.541 -8.092 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.144 -14.642 -7.132 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.904 -12.276 -8.449 1.00 0.00 C ATOM 0 H ILE A 482 -1.287 -15.495 -9.789 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.734 -15.970 -6.996 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.499 -14.783 -9.183 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.717 -13.460 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.273 -13.660 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.719 -13.731 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.805 -15.506 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.691 -14.610 -6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.247 -11.409 -8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.287 -12.360 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.737 -12.156 -7.757 1.00 0.00 H new ATOM 829 N MET A 483 -3.441 -17.772 -9.128 1.00 0.00 N ATOM 830 CA MET A 483 -4.354 -18.941 -9.222 1.00 0.00 C ATOM 831 C MET A 483 -3.628 -20.192 -8.735 1.00 0.00 C ATOM 832 O MET A 483 -4.218 -21.076 -8.147 1.00 0.00 O ATOM 833 CB MET A 483 -4.783 -19.135 -10.675 1.00 0.00 C ATOM 834 CG MET A 483 -5.972 -18.223 -10.977 1.00 0.00 C ATOM 835 SD MET A 483 -6.269 -18.188 -12.761 1.00 0.00 S ATOM 836 CE MET A 483 -7.916 -18.930 -12.723 1.00 0.00 C ATOM 0 H MET A 483 -3.052 -17.454 -10.016 1.00 0.00 H new ATOM 0 HA MET A 483 -5.234 -18.767 -8.603 1.00 0.00 H new ATOM 0 HB2 MET A 483 -3.954 -18.905 -11.345 1.00 0.00 H new ATOM 0 HB3 MET A 483 -5.055 -20.176 -10.850 1.00 0.00 H new ATOM 0 HG2 MET A 483 -6.860 -18.582 -10.457 1.00 0.00 H new ATOM 0 HG3 MET A 483 -5.773 -17.216 -10.611 1.00 0.00 H new ATOM 0 HE1 MET A 483 -8.303 -19.008 -13.739 1.00 0.00 H new ATOM 0 HE2 MET A 483 -7.857 -19.924 -12.280 1.00 0.00 H new ATOM 0 HE3 MET A 483 -8.582 -18.306 -12.127 1.00 0.00 H new ATOM 846 N ALA A 484 -2.349 -20.273 -8.965 1.00 0.00 N ATOM 847 CA ALA A 484 -1.588 -21.467 -8.509 1.00 0.00 C ATOM 848 C ALA A 484 -1.554 -21.486 -6.982 1.00 0.00 C ATOM 849 O ALA A 484 -1.701 -22.518 -6.358 1.00 0.00 O ATOM 850 CB ALA A 484 -0.163 -21.403 -9.054 1.00 0.00 C ATOM 0 H ALA A 484 -1.798 -19.564 -9.449 1.00 0.00 H new ATOM 0 HA ALA A 484 -2.071 -22.373 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.394 -22.278 -8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 484 -0.191 -21.385 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.326 -20.500 -8.689 1.00 0.00 H new ATOM 856 N ALA A 485 -1.368 -20.348 -6.377 1.00 0.00 N ATOM 857 CA ALA A 485 -1.332 -20.292 -4.890 1.00 0.00 C ATOM 858 C ALA A 485 -2.747 -20.484 -4.349 1.00 0.00 C ATOM 859 O ALA A 485 -2.976 -21.244 -3.428 1.00 0.00 O ATOM 860 CB ALA A 485 -0.796 -18.934 -4.440 1.00 0.00 C ATOM 0 H ALA A 485 -1.239 -19.453 -6.848 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.681 -21.079 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.771 -18.896 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.211 -18.792 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.446 -18.144 -4.816 1.00 0.00 H new ATOM 866 N ARG A 486 -3.698 -19.806 -4.924 1.00 0.00 N ATOM 867 CA ARG A 486 -5.103 -19.954 -4.457 1.00 0.00 C ATOM 868 C ARG A 486 -5.540 -21.405 -4.656 1.00 0.00 C ATOM 869 O ARG A 486 -6.180 -21.995 -3.810 1.00 0.00 O ATOM 870 CB ARG A 486 -6.007 -19.029 -5.274 1.00 0.00 C ATOM 871 CG ARG A 486 -5.731 -17.573 -4.893 1.00 0.00 C ATOM 872 CD ARG A 486 -6.645 -16.652 -5.702 1.00 0.00 C ATOM 873 NE ARG A 486 -6.204 -15.238 -5.540 1.00 0.00 N ATOM 874 CZ ARG A 486 -6.976 -14.264 -5.938 1.00 0.00 C ATOM 875 NH1 ARG A 486 -7.343 -14.188 -7.188 1.00 0.00 N ATOM 876 NH2 ARG A 486 -7.384 -13.365 -5.083 1.00 0.00 N ATOM 0 H ARG A 486 -3.563 -19.155 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.176 -19.689 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.828 -19.177 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -7.054 -19.271 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -5.901 -17.427 -3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.687 -17.327 -5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -6.620 -16.932 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.676 -16.762 -5.367 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.299 -15.031 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.026 -14.891 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -7.946 -13.426 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -7.099 -13.425 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -7.987 -12.603 -5.393 1.00 0.00 H new ATOM 890 N ASN A 487 -5.189 -21.983 -5.771 1.00 0.00 N ATOM 891 CA ASN A 487 -5.571 -23.398 -6.032 1.00 0.00 C ATOM 892 C ASN A 487 -4.894 -24.307 -5.003 1.00 0.00 C ATOM 893 O ASN A 487 -5.409 -25.347 -4.645 1.00 0.00 O ATOM 894 CB ASN A 487 -5.118 -23.796 -7.440 1.00 0.00 C ATOM 895 CG ASN A 487 -5.878 -22.965 -8.477 1.00 0.00 C ATOM 896 OD1 ASN A 487 -7.016 -22.596 -8.261 1.00 0.00 O ATOM 897 ND2 ASN A 487 -5.294 -22.651 -9.603 1.00 0.00 N ATOM 0 H ASN A 487 -4.653 -21.535 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.653 -23.503 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -4.045 -23.636 -7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -5.300 -24.858 -7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.793 -22.097 -10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -4.339 -22.960 -9.786 1.00 0.00 H new ATOM 904 N ILE A 488 -3.737 -23.925 -4.530 1.00 0.00 N ATOM 905 CA ILE A 488 -3.023 -24.773 -3.530 1.00 0.00 C ATOM 906 C ILE A 488 -3.421 -24.360 -2.113 1.00 0.00 C ATOM 907 O ILE A 488 -3.470 -25.171 -1.210 1.00 0.00 O ATOM 908 CB ILE A 488 -1.514 -24.599 -3.700 1.00 0.00 C ATOM 909 CG1 ILE A 488 -1.105 -25.058 -5.100 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.783 -25.441 -2.652 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.381 -24.767 -5.320 1.00 0.00 C ATOM 0 H ILE A 488 -3.256 -23.064 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.295 -25.816 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.251 -23.549 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -1.298 -26.124 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.702 -24.543 -5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.293 -25.318 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.076 -25.115 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -1.045 -26.491 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 488 0.672 -25.094 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.560 -23.696 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 488 0.971 -25.303 -4.576 1.00 0.00 H new ATOM 923 N CYS A 489 -3.698 -23.105 -1.909 1.00 0.00 N ATOM 924 CA CYS A 489 -4.083 -22.638 -0.546 1.00 0.00 C ATOM 925 C CYS A 489 -5.579 -22.866 -0.323 1.00 0.00 C ATOM 926 O CYS A 489 -6.027 -23.063 0.790 1.00 0.00 O ATOM 927 CB CYS A 489 -3.774 -21.145 -0.414 1.00 0.00 C ATOM 928 SG CYS A 489 -2.122 -20.932 0.294 1.00 0.00 S ATOM 0 H CYS A 489 -3.675 -22.380 -2.626 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.518 -23.198 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.828 -20.664 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.518 -20.663 0.220 1.00 0.00 H new ATOM 0 HG CYS A 489 -1.594 -22.098 0.523 1.00 0.00 H new ATOM 934 N TRP A 490 -6.356 -22.838 -1.368 1.00 0.00 N ATOM 935 CA TRP A 490 -7.824 -23.048 -1.212 1.00 0.00 C ATOM 936 C TRP A 490 -8.180 -24.491 -1.571 1.00 0.00 C ATOM 937 O TRP A 490 -8.263 -25.353 -0.718 1.00 0.00 O ATOM 938 CB TRP A 490 -8.576 -22.094 -2.141 1.00 0.00 C ATOM 939 CG TRP A 490 -8.447 -20.693 -1.635 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.817 -20.334 -0.493 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.949 -19.462 -2.231 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.898 -18.959 -0.351 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.588 -18.378 -1.397 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.675 -19.184 -3.402 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.934 -17.064 -1.714 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -10.027 -17.863 -3.725 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.657 -16.805 -2.883 1.00 0.00 C ATOM 0 H TRP A 490 -6.039 -22.679 -2.324 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.108 -22.852 -0.178 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.175 -22.164 -3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.627 -22.376 -2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.331 -21.009 0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.497 -18.439 0.430 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.964 -19.992 -4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.646 -16.253 -1.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.586 -17.661 -4.627 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.930 -15.791 -3.137 1.00 0.00 H new