USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.63! C(o=-3.9!,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= 0.0582 USER MOD Single : A 455 THR OG1 : rot -50:sc= -2.23! USER MOD Single : A 462 GLN : amide:sc= 1.02 K(o=1,f=-1.3) USER MOD Single : A 474 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl -173:sc= -5.62! (180deg=-5.83!) USER MOD Single : A 487 ASN : amide:sc= -2.87! X(o=-2.9!,f=-2.6) USER MOD Single : A 489 CYS SG : rot -100:sc= -3.31! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.794 -11.973 5.077 1.00 0.00 N ATOM 35 CA LYS A 429 10.373 -13.029 4.199 1.00 0.00 C ATOM 36 C LYS A 429 9.241 -13.862 3.596 1.00 0.00 C ATOM 37 O LYS A 429 8.193 -14.024 4.190 1.00 0.00 O ATOM 38 CB LYS A 429 11.293 -13.932 5.024 1.00 0.00 C ATOM 39 CG LYS A 429 12.749 -13.669 4.638 1.00 0.00 C ATOM 40 CD LYS A 429 13.666 -14.604 5.430 1.00 0.00 C ATOM 41 CE LYS A 429 14.927 -14.895 4.614 1.00 0.00 C ATOM 42 NZ LYS A 429 15.095 -16.368 4.468 1.00 0.00 N ATOM 0 HA LYS A 429 10.948 -12.564 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.148 -13.742 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 429 11.043 -14.979 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 429 12.887 -13.828 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 429 13.008 -12.630 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.934 -14.147 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 429 13.145 -15.534 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 429 14.854 -14.427 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 429 15.799 -14.466 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 15.952 -16.566 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 15.183 -16.802 5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 14.267 -16.765 3.980 1.00 0.00 H new ATOM 56 N PRO A 430 9.461 -14.397 2.386 1.00 0.00 N ATOM 57 CA PRO A 430 8.460 -15.213 1.689 1.00 0.00 C ATOM 58 C PRO A 430 8.317 -16.601 2.321 1.00 0.00 C ATOM 59 O PRO A 430 9.271 -17.174 2.806 1.00 0.00 O ATOM 60 CB PRO A 430 9.027 -15.346 0.278 1.00 0.00 C ATOM 61 CG PRO A 430 10.500 -15.173 0.439 1.00 0.00 C ATOM 62 CD PRO A 430 10.702 -14.245 1.605 1.00 0.00 C ATOM 0 HA PRO A 430 7.469 -14.762 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.788 -16.318 -0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.611 -14.590 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.985 -16.132 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.942 -14.758 -0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.580 -14.520 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.847 -13.215 1.278 1.00 0.00 H new ATOM 70 N ALA A 431 7.132 -17.148 2.315 1.00 0.00 N ATOM 71 CA ALA A 431 6.935 -18.497 2.911 1.00 0.00 C ATOM 72 C ALA A 431 7.485 -19.554 1.951 1.00 0.00 C ATOM 73 O ALA A 431 7.477 -19.377 0.749 1.00 0.00 O ATOM 74 CB ALA A 431 5.442 -18.741 3.142 1.00 0.00 C ATOM 0 H ALA A 431 6.294 -16.719 1.923 1.00 0.00 H new ATOM 0 HA ALA A 431 7.461 -18.558 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.298 -19.729 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.050 -17.984 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 431 4.913 -18.684 2.191 1.00 0.00 H new ATOM 80 N ASP A 432 7.966 -20.649 2.471 1.00 0.00 N ATOM 81 CA ASP A 432 8.518 -21.711 1.589 1.00 0.00 C ATOM 82 C ASP A 432 7.496 -22.065 0.508 1.00 0.00 C ATOM 83 O ASP A 432 7.849 -22.414 -0.600 1.00 0.00 O ATOM 84 CB ASP A 432 8.825 -22.958 2.424 1.00 0.00 C ATOM 85 CG ASP A 432 9.988 -22.664 3.374 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.617 -21.633 3.210 1.00 0.00 O ATOM 87 OD2 ASP A 432 10.230 -23.478 4.251 1.00 0.00 O ATOM 0 H ASP A 432 8.000 -20.853 3.470 1.00 0.00 H new ATOM 0 HA ASP A 432 9.433 -21.350 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 432 7.943 -23.254 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.078 -23.793 1.770 1.00 0.00 H new ATOM 92 N ASP A 433 6.231 -21.976 0.813 1.00 0.00 N ATOM 93 CA ASP A 433 5.202 -22.313 -0.212 1.00 0.00 C ATOM 94 C ASP A 433 5.380 -21.392 -1.416 1.00 0.00 C ATOM 95 O ASP A 433 5.307 -21.815 -2.553 1.00 0.00 O ATOM 96 CB ASP A 433 3.802 -22.123 0.379 1.00 0.00 C ATOM 97 CG ASP A 433 3.610 -23.084 1.554 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.415 -23.991 1.690 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.662 -22.897 2.299 1.00 0.00 O ATOM 0 H ASP A 433 5.866 -21.687 1.721 1.00 0.00 H new ATOM 0 HA ASP A 433 5.319 -23.351 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.673 -21.093 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 433 3.045 -22.308 -0.384 1.00 0.00 H new ATOM 104 N LEU A 434 5.624 -20.136 -1.173 1.00 0.00 N ATOM 105 CA LEU A 434 5.819 -19.183 -2.299 1.00 0.00 C ATOM 106 C LEU A 434 7.243 -19.331 -2.826 1.00 0.00 C ATOM 107 O LEU A 434 7.470 -19.507 -4.006 1.00 0.00 O ATOM 108 CB LEU A 434 5.604 -17.757 -1.794 1.00 0.00 C ATOM 109 CG LEU A 434 5.374 -16.823 -2.982 1.00 0.00 C ATOM 110 CD1 LEU A 434 3.929 -16.320 -2.962 1.00 0.00 C ATOM 111 CD2 LEU A 434 6.332 -15.634 -2.890 1.00 0.00 C ATOM 0 H LEU A 434 5.697 -19.727 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 434 5.107 -19.394 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.747 -17.724 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.472 -17.428 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 434 5.557 -17.364 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 434 3.764 -15.654 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 434 3.248 -17.168 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 434 3.745 -15.779 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 434 6.168 -14.968 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 434 6.151 -15.092 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.361 -15.994 -2.905 1.00 0.00 H new ATOM 123 N LEU A 435 8.202 -19.272 -1.949 1.00 0.00 N ATOM 124 CA LEU A 435 9.621 -19.421 -2.378 1.00 0.00 C ATOM 125 C LEU A 435 9.744 -20.643 -3.283 1.00 0.00 C ATOM 126 O LEU A 435 10.371 -20.604 -4.323 1.00 0.00 O ATOM 127 CB LEU A 435 10.504 -19.618 -1.142 1.00 0.00 C ATOM 128 CG LEU A 435 11.934 -19.158 -1.443 1.00 0.00 C ATOM 129 CD1 LEU A 435 11.911 -17.751 -2.041 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.746 -19.139 -0.147 1.00 0.00 C ATOM 0 H LEU A 435 8.066 -19.126 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 435 9.939 -18.529 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 435 10.100 -19.053 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 435 10.505 -20.668 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 435 12.389 -19.847 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 435 12.931 -17.429 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 435 11.333 -17.758 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.453 -17.062 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 435 13.764 -18.812 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.285 -18.451 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 435 12.769 -20.141 0.282 1.00 0.00 H new ATOM 142 N ASN A 436 9.147 -21.730 -2.888 1.00 0.00 N ATOM 143 CA ASN A 436 9.218 -22.968 -3.710 1.00 0.00 C ATOM 144 C ASN A 436 8.146 -22.923 -4.805 1.00 0.00 C ATOM 145 O ASN A 436 8.013 -23.838 -5.593 1.00 0.00 O ATOM 146 CB ASN A 436 8.978 -24.182 -2.810 1.00 0.00 C ATOM 147 CG ASN A 436 10.003 -24.183 -1.672 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.597 -23.994 -0.446 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 11.184 -24.356 -1.901 1.00 0.00 N flip ATOM 0 H ASN A 436 8.609 -21.815 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 436 10.202 -23.042 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.967 -24.153 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 436 9.062 -25.101 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.501 -24.504 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 436 11.858 -24.353 -1.135 1.00 0.00 H new ATOM 156 N LEU A 437 7.377 -21.869 -4.856 1.00 0.00 N ATOM 157 CA LEU A 437 6.312 -21.768 -5.897 1.00 0.00 C ATOM 158 C LEU A 437 6.952 -21.647 -7.283 1.00 0.00 C ATOM 159 O LEU A 437 7.797 -20.808 -7.519 1.00 0.00 O ATOM 160 CB LEU A 437 5.442 -20.538 -5.624 1.00 0.00 C ATOM 161 CG LEU A 437 4.177 -20.602 -6.485 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.260 -21.713 -5.972 1.00 0.00 C ATOM 163 CD2 LEU A 437 3.442 -19.263 -6.412 1.00 0.00 C ATOM 0 H LEU A 437 7.440 -21.073 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 437 5.692 -22.664 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 437 5.174 -20.497 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 437 6.000 -19.629 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 437 4.455 -20.811 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.361 -21.756 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.782 -22.669 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.983 -21.508 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.542 -19.308 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.167 -19.055 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 437 4.093 -18.470 -6.781 1.00 0.00 H new ATOM 175 N GLU A 438 6.554 -22.489 -8.196 1.00 0.00 N ATOM 176 CA GLU A 438 7.135 -22.442 -9.570 1.00 0.00 C ATOM 177 C GLU A 438 6.854 -21.081 -10.209 1.00 0.00 C ATOM 178 O GLU A 438 7.598 -20.619 -11.053 1.00 0.00 O ATOM 179 CB GLU A 438 6.507 -23.547 -10.417 1.00 0.00 C ATOM 180 CG GLU A 438 6.667 -24.879 -9.688 1.00 0.00 C ATOM 181 CD GLU A 438 6.121 -26.011 -10.560 1.00 0.00 C ATOM 182 OE1 GLU A 438 5.373 -25.719 -11.477 1.00 0.00 O ATOM 183 OE2 GLU A 438 6.461 -27.153 -10.295 1.00 0.00 O ATOM 0 H GLU A 438 5.848 -23.211 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 438 8.213 -22.590 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 438 5.452 -23.336 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 438 6.987 -23.592 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 438 7.718 -25.056 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 438 6.135 -24.850 -8.737 1.00 0.00 H new ATOM 190 N GLY A 439 5.796 -20.431 -9.812 1.00 0.00 N ATOM 191 CA GLY A 439 5.483 -19.099 -10.397 1.00 0.00 C ATOM 192 C GLY A 439 6.224 -18.018 -9.609 1.00 0.00 C ATOM 193 O GLY A 439 6.184 -16.852 -9.946 1.00 0.00 O ATOM 0 H GLY A 439 5.136 -20.764 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 439 5.780 -19.070 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.409 -18.918 -10.365 1.00 0.00 H new ATOM 197 N VAL A 440 6.899 -18.399 -8.559 1.00 0.00 N ATOM 198 CA VAL A 440 7.639 -17.390 -7.747 1.00 0.00 C ATOM 199 C VAL A 440 9.112 -17.783 -7.643 1.00 0.00 C ATOM 200 O VAL A 440 9.457 -18.803 -7.078 1.00 0.00 O ATOM 201 CB VAL A 440 7.037 -17.321 -6.342 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.793 -16.281 -5.513 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.562 -16.923 -6.437 1.00 0.00 C ATOM 0 H VAL A 440 6.970 -19.361 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 440 7.557 -16.417 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 440 7.120 -18.297 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 440 7.364 -16.232 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.843 -16.564 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.711 -15.305 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 440 5.133 -16.874 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.479 -15.947 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 440 5.022 -17.664 -7.027 1.00 0.00 H new ATOM 213 N ASP A 441 9.985 -16.973 -8.173 1.00 0.00 N ATOM 214 CA ASP A 441 11.436 -17.289 -8.092 1.00 0.00 C ATOM 215 C ASP A 441 11.955 -16.845 -6.726 1.00 0.00 C ATOM 216 O ASP A 441 11.240 -16.243 -5.949 1.00 0.00 O ATOM 217 CB ASP A 441 12.188 -16.539 -9.195 1.00 0.00 C ATOM 218 CG ASP A 441 11.655 -16.973 -10.563 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.010 -18.006 -10.625 1.00 0.00 O ATOM 220 OD2 ASP A 441 11.902 -16.264 -11.524 1.00 0.00 O ATOM 0 H ASP A 441 9.755 -16.106 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 441 11.592 -18.360 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.063 -15.464 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.256 -16.746 -9.127 1.00 0.00 H new ATOM 225 N ARG A 442 13.188 -17.128 -6.422 1.00 0.00 N ATOM 226 CA ARG A 442 13.735 -16.710 -5.105 1.00 0.00 C ATOM 227 C ARG A 442 13.592 -15.195 -4.974 1.00 0.00 C ATOM 228 O ARG A 442 13.188 -14.680 -3.951 1.00 0.00 O ATOM 229 CB ARG A 442 15.212 -17.101 -5.022 1.00 0.00 C ATOM 230 CG ARG A 442 15.826 -16.528 -3.743 1.00 0.00 C ATOM 231 CD ARG A 442 17.260 -17.040 -3.594 1.00 0.00 C ATOM 232 NE ARG A 442 18.141 -16.349 -4.576 1.00 0.00 N ATOM 233 CZ ARG A 442 18.937 -15.393 -4.179 1.00 0.00 C ATOM 234 NH1 ARG A 442 18.536 -14.151 -4.223 1.00 0.00 N ATOM 235 NH2 ARG A 442 20.133 -15.678 -3.741 1.00 0.00 N ATOM 0 H ARG A 442 13.839 -17.629 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 442 13.191 -17.202 -4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 442 15.312 -18.186 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.747 -16.725 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.819 -15.439 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 442 15.232 -16.822 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 442 17.618 -16.861 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.291 -18.117 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 442 18.123 -16.622 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 442 17.602 -13.929 -4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 442 19.157 -13.403 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 442 20.447 -16.648 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 442 20.754 -14.931 -3.431 1.00 0.00 H new ATOM 249 N ASP A 443 13.927 -14.482 -6.011 1.00 0.00 N ATOM 250 CA ASP A 443 13.822 -12.996 -5.967 1.00 0.00 C ATOM 251 C ASP A 443 12.352 -12.574 -5.894 1.00 0.00 C ATOM 252 O ASP A 443 11.984 -11.719 -5.113 1.00 0.00 O ATOM 253 CB ASP A 443 14.455 -12.407 -7.229 1.00 0.00 C ATOM 254 CG ASP A 443 15.966 -12.648 -7.201 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.466 -13.033 -6.156 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.597 -12.445 -8.226 1.00 0.00 O ATOM 0 H ASP A 443 14.271 -14.865 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 443 14.343 -12.628 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 443 14.019 -12.866 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.247 -11.339 -7.289 1.00 0.00 H new ATOM 261 N LEU A 444 11.506 -13.157 -6.701 1.00 0.00 N ATOM 262 CA LEU A 444 10.067 -12.772 -6.667 1.00 0.00 C ATOM 263 C LEU A 444 9.512 -13.006 -5.263 1.00 0.00 C ATOM 264 O LEU A 444 8.646 -12.290 -4.799 1.00 0.00 O ATOM 265 CB LEU A 444 9.285 -13.618 -7.674 1.00 0.00 C ATOM 266 CG LEU A 444 7.894 -13.014 -7.875 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.417 -13.299 -9.300 1.00 0.00 C ATOM 268 CD2 LEU A 444 6.917 -13.638 -6.876 1.00 0.00 C ATOM 0 H LEU A 444 11.748 -13.880 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 444 9.967 -11.718 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.817 -13.656 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 444 9.200 -14.644 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 444 7.939 -11.937 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.426 -12.869 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.113 -12.855 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.372 -14.376 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 444 5.926 -13.208 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.871 -14.715 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.257 -13.436 -5.860 1.00 0.00 H new ATOM 280 N ALA A 445 10.006 -14.001 -4.584 1.00 0.00 N ATOM 281 CA ALA A 445 9.510 -14.280 -3.209 1.00 0.00 C ATOM 282 C ALA A 445 9.791 -13.072 -2.316 1.00 0.00 C ATOM 283 O ALA A 445 9.062 -12.791 -1.386 1.00 0.00 O ATOM 284 CB ALA A 445 10.227 -15.510 -2.652 1.00 0.00 C ATOM 0 H ALA A 445 10.732 -14.633 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 445 8.437 -14.469 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.866 -15.717 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 445 10.027 -16.369 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.300 -15.323 -2.621 1.00 0.00 H new ATOM 290 N PHE A 446 10.841 -12.351 -2.594 1.00 0.00 N ATOM 291 CA PHE A 446 11.165 -11.158 -1.765 1.00 0.00 C ATOM 292 C PHE A 446 10.226 -10.013 -2.142 1.00 0.00 C ATOM 293 O PHE A 446 9.557 -9.447 -1.301 1.00 0.00 O ATOM 294 CB PHE A 446 12.615 -10.742 -2.013 1.00 0.00 C ATOM 295 CG PHE A 446 13.540 -11.746 -1.365 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.747 -11.715 0.019 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.188 -12.710 -2.148 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.601 -12.645 0.621 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.043 -13.641 -1.545 1.00 0.00 C ATOM 300 CZ PHE A 446 15.250 -13.609 -0.162 1.00 0.00 C ATOM 0 H PHE A 446 11.489 -12.537 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 446 11.038 -11.398 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.812 -10.687 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.795 -9.748 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.247 -10.972 0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.028 -12.735 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.760 -12.620 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.543 -14.384 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.910 -14.327 0.302 1.00 0.00 H new ATOM 310 N LYS A 447 10.158 -9.673 -3.401 1.00 0.00 N ATOM 311 CA LYS A 447 9.246 -8.571 -3.816 1.00 0.00 C ATOM 312 C LYS A 447 7.828 -8.915 -3.367 1.00 0.00 C ATOM 313 O LYS A 447 7.071 -8.062 -2.949 1.00 0.00 O ATOM 314 CB LYS A 447 9.273 -8.417 -5.338 1.00 0.00 C ATOM 315 CG LYS A 447 8.652 -7.072 -5.718 1.00 0.00 C ATOM 316 CD LYS A 447 8.790 -6.847 -7.224 1.00 0.00 C ATOM 317 CE LYS A 447 8.377 -5.413 -7.561 1.00 0.00 C ATOM 318 NZ LYS A 447 9.596 -4.577 -7.750 1.00 0.00 N ATOM 0 H LYS A 447 10.691 -10.108 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 447 9.569 -7.636 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.298 -8.474 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.722 -9.231 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.600 -7.053 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 447 9.145 -6.266 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 447 9.819 -7.024 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.165 -7.555 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 447 7.771 -5.401 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 447 7.762 -5.002 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 9.316 -3.602 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 10.158 -4.579 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 10.166 -4.965 -8.528 1.00 0.00 H new ATOM 332 N LEU A 448 7.467 -10.167 -3.442 1.00 0.00 N ATOM 333 CA LEU A 448 6.105 -10.580 -3.013 1.00 0.00 C ATOM 334 C LEU A 448 6.047 -10.585 -1.483 1.00 0.00 C ATOM 335 O LEU A 448 5.098 -10.116 -0.886 1.00 0.00 O ATOM 336 CB LEU A 448 5.809 -11.983 -3.547 1.00 0.00 C ATOM 337 CG LEU A 448 4.385 -12.389 -3.164 1.00 0.00 C ATOM 338 CD1 LEU A 448 3.797 -13.280 -4.260 1.00 0.00 C ATOM 339 CD2 LEU A 448 4.416 -13.157 -1.842 1.00 0.00 C ATOM 0 H LEU A 448 8.061 -10.923 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 448 5.363 -9.884 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.924 -12.002 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.524 -12.697 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 448 3.768 -11.497 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 448 2.782 -13.570 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.778 -12.733 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.412 -14.173 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 448 3.402 -13.448 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 448 5.032 -14.049 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 448 4.836 -12.522 -1.062 1.00 0.00 H new ATOM 351 N ALA A 449 7.063 -11.100 -0.846 1.00 0.00 N ATOM 352 CA ALA A 449 7.073 -11.123 0.644 1.00 0.00 C ATOM 353 C ALA A 449 7.174 -9.689 1.162 1.00 0.00 C ATOM 354 O ALA A 449 6.604 -9.342 2.178 1.00 0.00 O ATOM 355 CB ALA A 449 8.275 -11.932 1.134 1.00 0.00 C ATOM 0 H ALA A 449 7.886 -11.505 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 449 6.157 -11.584 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.282 -11.949 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.206 -12.952 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.195 -11.473 0.772 1.00 0.00 H new ATOM 361 N ALA A 450 7.884 -8.852 0.460 1.00 0.00 N ATOM 362 CA ALA A 450 8.012 -7.434 0.898 1.00 0.00 C ATOM 363 C ALA A 450 6.685 -6.716 0.651 1.00 0.00 C ATOM 364 O ALA A 450 6.490 -5.586 1.054 1.00 0.00 O ATOM 365 CB ALA A 450 9.120 -6.748 0.097 1.00 0.00 C ATOM 0 H ALA A 450 8.382 -9.088 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 450 8.261 -7.397 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.212 -5.711 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.064 -7.266 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.874 -6.778 -0.964 1.00 0.00 H new ATOM 371 N ARG A 451 5.771 -7.368 -0.014 1.00 0.00 N ATOM 372 CA ARG A 451 4.455 -6.733 -0.296 1.00 0.00 C ATOM 373 C ARG A 451 3.451 -7.126 0.791 1.00 0.00 C ATOM 374 O ARG A 451 2.258 -6.956 0.637 1.00 0.00 O ATOM 375 CB ARG A 451 3.943 -7.209 -1.657 1.00 0.00 C ATOM 376 CG ARG A 451 2.794 -6.310 -2.112 1.00 0.00 C ATOM 377 CD ARG A 451 2.263 -6.805 -3.459 1.00 0.00 C ATOM 378 NE ARG A 451 1.185 -5.891 -3.933 1.00 0.00 N ATOM 379 CZ ARG A 451 0.189 -5.593 -3.144 1.00 0.00 C ATOM 380 NH1 ARG A 451 0.095 -4.394 -2.637 1.00 0.00 N ATOM 381 NH2 ARG A 451 -0.714 -6.492 -2.864 1.00 0.00 N ATOM 0 H ARG A 451 5.880 -8.316 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 451 4.571 -5.649 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.750 -7.185 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.605 -8.243 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 451 1.996 -6.317 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 451 3.137 -5.279 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 451 3.071 -6.842 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 451 1.877 -7.820 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 451 1.226 -5.499 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 451 0.800 -3.690 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 451 -0.683 -4.161 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 451 -0.642 -7.428 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 451 -1.492 -6.258 -2.247 1.00 0.00 H new ATOM 395 N GLY A 452 3.923 -7.655 1.887 1.00 0.00 N ATOM 396 CA GLY A 452 2.993 -8.060 2.979 1.00 0.00 C ATOM 397 C GLY A 452 2.549 -9.507 2.753 1.00 0.00 C ATOM 398 O GLY A 452 2.024 -10.151 3.640 1.00 0.00 O ATOM 0 H GLY A 452 4.912 -7.824 2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.486 -7.966 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.126 -7.400 2.998 1.00 0.00 H new ATOM 402 N VAL A 453 2.758 -10.020 1.573 1.00 0.00 N ATOM 403 CA VAL A 453 2.354 -11.424 1.283 1.00 0.00 C ATOM 404 C VAL A 453 3.513 -12.359 1.638 1.00 0.00 C ATOM 405 O VAL A 453 4.220 -12.841 0.779 1.00 0.00 O ATOM 406 CB VAL A 453 2.018 -11.557 -0.206 1.00 0.00 C ATOM 407 CG1 VAL A 453 0.940 -12.624 -0.395 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.500 -10.219 -0.737 1.00 0.00 C ATOM 0 H VAL A 453 3.193 -9.526 0.794 1.00 0.00 H new ATOM 0 HA VAL A 453 1.477 -11.690 1.874 1.00 0.00 H new ATOM 0 HB VAL A 453 2.917 -11.844 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 453 0.702 -12.717 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.305 -13.580 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.043 -12.337 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.262 -10.316 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.603 -9.932 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.266 -9.454 -0.606 1.00 0.00 H new ATOM 418 N CYS A 454 3.722 -12.606 2.901 1.00 0.00 N ATOM 419 CA CYS A 454 4.848 -13.494 3.311 1.00 0.00 C ATOM 420 C CYS A 454 4.439 -14.963 3.182 1.00 0.00 C ATOM 421 O CYS A 454 5.264 -15.851 3.272 1.00 0.00 O ATOM 422 CB CYS A 454 5.222 -13.199 4.764 1.00 0.00 C ATOM 423 SG CYS A 454 5.023 -11.431 5.098 1.00 0.00 S ATOM 0 H CYS A 454 3.163 -12.232 3.668 1.00 0.00 H new ATOM 0 HA CYS A 454 5.703 -13.305 2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.591 -13.779 5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.252 -13.501 4.953 1.00 0.00 H new ATOM 0 HG CYS A 454 5.340 -11.185 6.335 1.00 0.00 H new ATOM 429 N THR A 455 3.179 -15.237 2.979 1.00 0.00 N ATOM 430 CA THR A 455 2.751 -16.660 2.859 1.00 0.00 C ATOM 431 C THR A 455 2.003 -16.873 1.543 1.00 0.00 C ATOM 432 O THR A 455 1.370 -15.975 1.023 1.00 0.00 O ATOM 433 CB THR A 455 1.830 -17.017 4.029 1.00 0.00 C ATOM 434 OG1 THR A 455 0.979 -15.916 4.312 1.00 0.00 O ATOM 435 CG2 THR A 455 2.670 -17.347 5.263 1.00 0.00 C ATOM 0 H THR A 455 2.434 -14.545 2.892 1.00 0.00 H new ATOM 0 HA THR A 455 3.634 -17.299 2.877 1.00 0.00 H new ATOM 0 HB THR A 455 1.226 -17.885 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.515 -15.100 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.012 -17.601 6.094 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.321 -18.193 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.277 -16.482 5.532 1.00 0.00 H new ATOM 443 N LEU A 456 2.062 -18.062 1.007 1.00 0.00 N ATOM 444 CA LEU A 456 1.347 -18.341 -0.268 1.00 0.00 C ATOM 445 C LEU A 456 -0.130 -17.990 -0.094 1.00 0.00 C ATOM 446 O LEU A 456 -0.762 -17.457 -0.985 1.00 0.00 O ATOM 447 CB LEU A 456 1.484 -19.824 -0.614 1.00 0.00 C ATOM 448 CG LEU A 456 0.746 -20.111 -1.922 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.715 -19.970 -3.097 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.188 -21.533 -1.889 1.00 0.00 C ATOM 0 H LEU A 456 2.575 -18.852 1.398 1.00 0.00 H new ATOM 0 HA LEU A 456 1.776 -17.743 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.536 -20.090 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.074 -20.436 0.190 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.073 -19.401 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.189 -20.175 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 456 2.113 -18.956 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.535 -20.679 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.338 -21.739 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 456 1.007 -22.243 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.503 -21.633 -1.052 1.00 0.00 H new ATOM 462 N GLU A 457 -0.683 -18.272 1.055 1.00 0.00 N ATOM 463 CA GLU A 457 -2.115 -17.941 1.294 1.00 0.00 C ATOM 464 C GLU A 457 -2.305 -16.437 1.131 1.00 0.00 C ATOM 465 O GLU A 457 -3.241 -15.977 0.507 1.00 0.00 O ATOM 466 CB GLU A 457 -2.504 -18.349 2.714 1.00 0.00 C ATOM 467 CG GLU A 457 -4.017 -18.562 2.787 1.00 0.00 C ATOM 468 CD GLU A 457 -4.432 -18.778 4.244 1.00 0.00 C ATOM 469 OE1 GLU A 457 -3.551 -18.928 5.074 1.00 0.00 O ATOM 470 OE2 GLU A 457 -5.623 -18.787 4.504 1.00 0.00 O ATOM 0 H GLU A 457 -0.204 -18.717 1.838 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.742 -18.476 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.983 -19.264 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -2.200 -17.578 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -4.537 -17.698 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -4.303 -19.424 2.185 1.00 0.00 H new ATOM 477 N ASP A 458 -1.409 -15.672 1.681 1.00 0.00 N ATOM 478 CA ASP A 458 -1.516 -14.193 1.554 1.00 0.00 C ATOM 479 C ASP A 458 -1.638 -13.843 0.072 1.00 0.00 C ATOM 480 O ASP A 458 -2.380 -12.961 -0.314 1.00 0.00 O ATOM 481 CB ASP A 458 -0.262 -13.535 2.135 1.00 0.00 C ATOM 482 CG ASP A 458 -0.253 -13.700 3.655 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.269 -14.106 4.194 1.00 0.00 O ATOM 484 OD2 ASP A 458 0.771 -13.417 4.255 1.00 0.00 O ATOM 0 H ASP A 458 -0.606 -16.006 2.214 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.389 -13.833 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.631 -13.988 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -0.240 -12.477 1.874 1.00 0.00 H new ATOM 489 N LEU A 459 -0.913 -14.538 -0.762 1.00 0.00 N ATOM 490 CA LEU A 459 -0.977 -14.266 -2.226 1.00 0.00 C ATOM 491 C LEU A 459 -2.352 -14.678 -2.757 1.00 0.00 C ATOM 492 O LEU A 459 -2.961 -13.978 -3.540 1.00 0.00 O ATOM 493 CB LEU A 459 0.109 -15.079 -2.935 1.00 0.00 C ATOM 494 CG LEU A 459 0.402 -14.465 -4.305 1.00 0.00 C ATOM 495 CD1 LEU A 459 1.422 -15.335 -5.043 1.00 0.00 C ATOM 496 CD2 LEU A 459 -0.888 -14.394 -5.121 1.00 0.00 C ATOM 0 H LEU A 459 -0.276 -15.287 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.819 -13.204 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.017 -15.095 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 459 -0.215 -16.113 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 459 0.804 -13.460 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 459 1.633 -14.900 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 459 2.343 -15.387 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 459 1.018 -16.339 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 459 -0.678 -13.956 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 459 -1.291 -15.398 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 459 -1.617 -13.777 -4.596 1.00 0.00 H new ATOM 508 N ALA A 460 -2.842 -15.812 -2.337 1.00 0.00 N ATOM 509 CA ALA A 460 -4.175 -16.271 -2.819 1.00 0.00 C ATOM 510 C ALA A 460 -5.215 -15.179 -2.563 1.00 0.00 C ATOM 511 O ALA A 460 -6.239 -15.118 -3.215 1.00 0.00 O ATOM 512 CB ALA A 460 -4.577 -17.543 -2.068 1.00 0.00 C ATOM 0 H ALA A 460 -2.377 -16.440 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 460 -4.123 -16.479 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.552 -17.880 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.837 -18.322 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.629 -17.334 -1.000 1.00 0.00 H new ATOM 518 N GLU A 461 -4.964 -14.323 -1.614 1.00 0.00 N ATOM 519 CA GLU A 461 -5.940 -13.241 -1.309 1.00 0.00 C ATOM 520 C GLU A 461 -5.613 -11.996 -2.138 1.00 0.00 C ATOM 521 O GLU A 461 -6.374 -11.050 -2.176 1.00 0.00 O ATOM 522 CB GLU A 461 -5.863 -12.897 0.179 1.00 0.00 C ATOM 523 CG GLU A 461 -6.953 -11.880 0.524 1.00 0.00 C ATOM 524 CD GLU A 461 -6.781 -11.425 1.975 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.847 -11.884 2.612 1.00 0.00 O ATOM 526 OE2 GLU A 461 -7.586 -10.625 2.424 1.00 0.00 O ATOM 0 H GLU A 461 -4.124 -14.326 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.945 -13.581 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -5.989 -13.798 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -4.881 -12.489 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.892 -11.023 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -7.938 -12.325 0.385 1.00 0.00 H new ATOM 533 N GLN A 462 -4.492 -11.985 -2.805 1.00 0.00 N ATOM 534 CA GLN A 462 -4.134 -10.795 -3.628 1.00 0.00 C ATOM 535 C GLN A 462 -4.838 -10.875 -4.980 1.00 0.00 C ATOM 536 O GLN A 462 -5.252 -11.930 -5.416 1.00 0.00 O ATOM 537 CB GLN A 462 -2.623 -10.754 -3.856 1.00 0.00 C ATOM 538 CG GLN A 462 -1.899 -11.065 -2.548 1.00 0.00 C ATOM 539 CD GLN A 462 -2.175 -9.956 -1.531 1.00 0.00 C ATOM 540 OE1 GLN A 462 -2.377 -8.815 -1.899 1.00 0.00 O ATOM 541 NE2 GLN A 462 -2.190 -10.244 -0.259 1.00 0.00 N ATOM 0 H GLN A 462 -3.811 -12.744 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.448 -9.894 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.341 -11.478 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.327 -9.771 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -2.234 -12.025 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.827 -11.151 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -2.020 -11.201 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -2.371 -9.512 0.428 1.00 0.00 H new ATOM 550 N GLY A 463 -4.976 -9.764 -5.644 1.00 0.00 N ATOM 551 CA GLY A 463 -5.652 -9.765 -6.971 1.00 0.00 C ATOM 552 C GLY A 463 -4.646 -9.366 -8.053 1.00 0.00 C ATOM 553 O GLY A 463 -3.597 -8.822 -7.769 1.00 0.00 O ATOM 0 H GLY A 463 -4.649 -8.852 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -6.059 -10.754 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.491 -9.070 -6.965 1.00 0.00 H new ATOM 557 N ILE A 464 -4.957 -9.632 -9.290 1.00 0.00 N ATOM 558 CA ILE A 464 -4.019 -9.271 -10.391 1.00 0.00 C ATOM 559 C ILE A 464 -3.623 -7.798 -10.272 1.00 0.00 C ATOM 560 O ILE A 464 -2.495 -7.426 -10.529 1.00 0.00 O ATOM 561 CB ILE A 464 -4.707 -9.505 -11.736 1.00 0.00 C ATOM 562 CG1 ILE A 464 -5.066 -10.985 -11.876 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.761 -9.098 -12.867 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.878 -11.195 -13.155 1.00 0.00 C ATOM 0 H ILE A 464 -5.821 -10.084 -9.588 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.124 -9.890 -10.322 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.616 -8.907 -11.789 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.159 -11.589 -11.905 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.640 -11.314 -11.010 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.249 -9.264 -13.827 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.507 -8.043 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.852 -9.697 -12.814 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.134 -12.250 -13.255 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.792 -10.603 -13.107 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.288 -10.882 -14.016 1.00 0.00 H new ATOM 576 N ASP A 465 -4.543 -6.959 -9.891 1.00 0.00 N ATOM 577 CA ASP A 465 -4.225 -5.508 -9.761 1.00 0.00 C ATOM 578 C ASP A 465 -3.313 -5.282 -8.552 1.00 0.00 C ATOM 579 O ASP A 465 -2.439 -4.440 -8.573 1.00 0.00 O ATOM 580 CB ASP A 465 -5.520 -4.717 -9.576 1.00 0.00 C ATOM 581 CG ASP A 465 -6.353 -4.796 -10.856 1.00 0.00 C ATOM 582 OD1 ASP A 465 -5.815 -5.226 -11.863 1.00 0.00 O ATOM 583 OD2 ASP A 465 -7.516 -4.428 -10.808 1.00 0.00 O ATOM 0 H ASP A 465 -5.504 -7.214 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 465 -3.716 -5.170 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.087 -5.118 -8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -5.293 -3.677 -9.341 1.00 0.00 H new ATOM 588 N ASP A 466 -3.512 -6.025 -7.500 1.00 0.00 N ATOM 589 CA ASP A 466 -2.655 -5.847 -6.294 1.00 0.00 C ATOM 590 C ASP A 466 -1.220 -6.264 -6.620 1.00 0.00 C ATOM 591 O ASP A 466 -0.273 -5.588 -6.272 1.00 0.00 O ATOM 592 CB ASP A 466 -3.192 -6.714 -5.153 1.00 0.00 C ATOM 593 CG ASP A 466 -4.577 -6.214 -4.739 1.00 0.00 C ATOM 594 OD1 ASP A 466 -4.935 -5.119 -5.142 1.00 0.00 O ATOM 595 OD2 ASP A 466 -5.257 -6.933 -4.025 1.00 0.00 O ATOM 0 H ASP A 466 -4.229 -6.746 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.668 -4.800 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.250 -7.755 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.511 -6.677 -4.303 1.00 0.00 H new ATOM 600 N LEU A 467 -1.050 -7.374 -7.287 1.00 0.00 N ATOM 601 CA LEU A 467 0.324 -7.830 -7.633 1.00 0.00 C ATOM 602 C LEU A 467 0.785 -7.139 -8.919 1.00 0.00 C ATOM 603 O LEU A 467 1.951 -7.156 -9.259 1.00 0.00 O ATOM 604 CB LEU A 467 0.323 -9.346 -7.843 1.00 0.00 C ATOM 605 CG LEU A 467 -0.345 -10.027 -6.646 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.274 -11.547 -6.820 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.381 -9.628 -5.360 1.00 0.00 C ATOM 0 H LEU A 467 -1.803 -7.983 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 467 1.004 -7.576 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.209 -9.596 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.345 -9.709 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 467 -1.388 -9.715 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.749 -12.033 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.791 -11.833 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 467 0.769 -11.858 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.095 -10.113 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 467 1.424 -9.940 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 467 0.332 -8.546 -5.235 1.00 0.00 H new ATOM 619 N ALA A 468 -0.123 -6.533 -9.637 1.00 0.00 N ATOM 620 CA ALA A 468 0.267 -5.845 -10.900 1.00 0.00 C ATOM 621 C ALA A 468 1.456 -4.921 -10.631 1.00 0.00 C ATOM 622 O ALA A 468 2.288 -4.700 -11.488 1.00 0.00 O ATOM 623 CB ALA A 468 -0.913 -5.020 -11.419 1.00 0.00 C ATOM 0 H ALA A 468 -1.115 -6.485 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 468 0.546 -6.589 -11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.627 -4.517 -12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.760 -5.678 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.193 -4.276 -10.673 1.00 0.00 H new ATOM 629 N ASP A 469 1.542 -4.382 -9.447 1.00 0.00 N ATOM 630 CA ASP A 469 2.678 -3.474 -9.123 1.00 0.00 C ATOM 631 C ASP A 469 3.992 -4.247 -9.230 1.00 0.00 C ATOM 632 O ASP A 469 5.028 -3.692 -9.542 1.00 0.00 O ATOM 633 CB ASP A 469 2.515 -2.942 -7.698 1.00 0.00 C ATOM 634 CG ASP A 469 1.296 -2.020 -7.632 1.00 0.00 C ATOM 635 OD1 ASP A 469 0.804 -1.645 -8.683 1.00 0.00 O ATOM 636 OD2 ASP A 469 0.875 -1.706 -6.531 1.00 0.00 O ATOM 0 H ASP A 469 0.875 -4.531 -8.690 1.00 0.00 H new ATOM 0 HA ASP A 469 2.688 -2.639 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 469 2.395 -3.771 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 469 3.411 -2.399 -7.397 1.00 0.00 H new ATOM 641 N ILE A 470 3.961 -5.525 -8.974 1.00 0.00 N ATOM 642 CA ILE A 470 5.209 -6.335 -9.062 1.00 0.00 C ATOM 643 C ILE A 470 5.791 -6.218 -10.469 1.00 0.00 C ATOM 644 O ILE A 470 5.090 -5.943 -11.424 1.00 0.00 O ATOM 645 CB ILE A 470 4.890 -7.801 -8.762 1.00 0.00 C ATOM 646 CG1 ILE A 470 4.134 -7.893 -7.437 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.188 -8.604 -8.659 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.930 -7.175 -6.346 1.00 0.00 C ATOM 0 H ILE A 470 3.125 -6.045 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 470 5.934 -5.966 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 470 4.277 -8.208 -9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 470 3.146 -7.443 -7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.982 -8.937 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 470 5.955 -9.647 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.731 -8.540 -9.602 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.804 -8.198 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 470 4.392 -7.240 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.908 -7.645 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 470 5.059 -6.128 -6.619 1.00 0.00 H new ATOM 660 N GLU A 471 7.069 -6.428 -10.605 1.00 0.00 N ATOM 661 CA GLU A 471 7.702 -6.330 -11.949 1.00 0.00 C ATOM 662 C GLU A 471 7.999 -7.736 -12.477 1.00 0.00 C ATOM 663 O GLU A 471 8.344 -8.630 -11.730 1.00 0.00 O ATOM 664 CB GLU A 471 9.006 -5.537 -11.844 1.00 0.00 C ATOM 665 CG GLU A 471 9.589 -5.330 -13.242 1.00 0.00 C ATOM 666 CD GLU A 471 10.944 -4.628 -13.130 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.361 -4.363 -12.015 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.542 -4.369 -14.162 1.00 0.00 O ATOM 0 H GLU A 471 7.704 -6.664 -9.842 1.00 0.00 H new ATOM 0 HA GLU A 471 7.023 -5.821 -12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.821 -4.574 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.719 -6.071 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.705 -6.290 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.907 -4.733 -13.848 1.00 0.00 H new ATOM 675 N GLY A 472 7.863 -7.937 -13.759 1.00 0.00 N ATOM 676 CA GLY A 472 8.136 -9.284 -14.334 1.00 0.00 C ATOM 677 C GLY A 472 6.844 -10.104 -14.346 1.00 0.00 C ATOM 678 O GLY A 472 6.821 -11.239 -14.781 1.00 0.00 O ATOM 0 H GLY A 472 7.575 -7.227 -14.433 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.527 -9.187 -15.347 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.898 -9.795 -13.746 1.00 0.00 H new ATOM 682 N LEU A 473 5.766 -9.540 -13.874 1.00 0.00 N ATOM 683 CA LEU A 473 4.479 -10.289 -13.862 1.00 0.00 C ATOM 684 C LEU A 473 3.480 -9.598 -14.790 1.00 0.00 C ATOM 685 O LEU A 473 3.339 -8.391 -14.778 1.00 0.00 O ATOM 686 CB LEU A 473 3.920 -10.322 -12.438 1.00 0.00 C ATOM 687 CG LEU A 473 4.465 -11.554 -11.710 1.00 0.00 C ATOM 688 CD1 LEU A 473 3.962 -11.561 -10.265 1.00 0.00 C ATOM 689 CD2 LEU A 473 3.987 -12.821 -12.423 1.00 0.00 C ATOM 0 H LEU A 473 5.721 -8.593 -13.497 1.00 0.00 H new ATOM 0 HA LEU A 473 4.648 -11.309 -14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.202 -9.415 -11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 473 2.831 -10.352 -12.463 1.00 0.00 H new ATOM 0 HG LEU A 473 5.555 -11.524 -11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 473 4.351 -12.439 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 473 4.304 -10.660 -9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 473 2.872 -11.590 -10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 473 4.375 -13.698 -11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 473 2.897 -12.851 -12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 473 4.348 -12.818 -13.452 1.00 0.00 H new ATOM 701 N THR A 474 2.784 -10.352 -15.596 1.00 0.00 N ATOM 702 CA THR A 474 1.798 -9.736 -16.525 1.00 0.00 C ATOM 703 C THR A 474 0.381 -10.024 -16.026 1.00 0.00 C ATOM 704 O THR A 474 0.185 -10.713 -15.045 1.00 0.00 O ATOM 705 CB THR A 474 1.976 -10.328 -17.925 1.00 0.00 C ATOM 706 OG1 THR A 474 3.176 -11.088 -17.968 1.00 0.00 O ATOM 707 CG2 THR A 474 2.045 -9.199 -18.953 1.00 0.00 C ATOM 0 H THR A 474 2.856 -11.368 -15.651 1.00 0.00 H new ATOM 0 HA THR A 474 1.959 -8.659 -16.564 1.00 0.00 H new ATOM 0 HB THR A 474 1.130 -10.975 -18.157 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.290 -11.469 -18.864 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.172 -9.622 -19.950 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.123 -8.619 -18.919 1.00 0.00 H new ATOM 0 HG23 THR A 474 2.890 -8.550 -18.724 1.00 0.00 H new ATOM 715 N ASP A 475 -0.608 -9.502 -16.697 1.00 0.00 N ATOM 716 CA ASP A 475 -2.013 -9.745 -16.264 1.00 0.00 C ATOM 717 C ASP A 475 -2.314 -11.243 -16.327 1.00 0.00 C ATOM 718 O ASP A 475 -3.061 -11.771 -15.528 1.00 0.00 O ATOM 719 CB ASP A 475 -2.969 -8.992 -17.191 1.00 0.00 C ATOM 720 CG ASP A 475 -2.767 -7.485 -17.014 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.102 -7.104 -16.065 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.281 -6.739 -17.831 1.00 0.00 O ATOM 0 H ASP A 475 -0.504 -8.918 -17.527 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.145 -9.391 -15.241 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.786 -9.275 -18.228 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.001 -9.261 -16.964 1.00 0.00 H new ATOM 727 N GLU A 476 -1.739 -11.935 -17.274 1.00 0.00 N ATOM 728 CA GLU A 476 -1.993 -13.397 -17.387 1.00 0.00 C ATOM 729 C GLU A 476 -1.209 -14.136 -16.300 1.00 0.00 C ATOM 730 O GLU A 476 -1.713 -15.044 -15.667 1.00 0.00 O ATOM 731 CB GLU A 476 -1.545 -13.888 -18.766 1.00 0.00 C ATOM 732 CG GLU A 476 -2.445 -13.275 -19.842 1.00 0.00 C ATOM 733 CD GLU A 476 -2.067 -13.843 -21.211 1.00 0.00 C ATOM 734 OE1 GLU A 476 -1.056 -14.521 -21.291 1.00 0.00 O ATOM 735 OE2 GLU A 476 -2.795 -13.591 -22.156 1.00 0.00 O ATOM 0 H GLU A 476 -1.105 -11.549 -17.973 1.00 0.00 H new ATOM 0 HA GLU A 476 -3.058 -13.592 -17.262 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -0.506 -13.609 -18.943 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -1.595 -14.976 -18.811 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -3.490 -13.492 -19.623 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.338 -12.190 -19.845 1.00 0.00 H new ATOM 742 N LYS A 477 0.019 -13.755 -16.073 1.00 0.00 N ATOM 743 CA LYS A 477 0.824 -14.436 -15.022 1.00 0.00 C ATOM 744 C LYS A 477 0.221 -14.135 -13.651 1.00 0.00 C ATOM 745 O LYS A 477 0.164 -14.984 -12.783 1.00 0.00 O ATOM 746 CB LYS A 477 2.267 -13.929 -15.066 1.00 0.00 C ATOM 747 CG LYS A 477 2.878 -14.232 -16.437 1.00 0.00 C ATOM 748 CD LYS A 477 4.278 -13.616 -16.523 1.00 0.00 C ATOM 749 CE LYS A 477 5.193 -14.274 -15.486 1.00 0.00 C ATOM 750 NZ LYS A 477 6.050 -15.293 -16.155 1.00 0.00 N ATOM 0 H LYS A 477 0.498 -13.003 -16.569 1.00 0.00 H new ATOM 0 HA LYS A 477 0.816 -15.511 -15.200 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.292 -12.856 -14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.855 -14.406 -14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 477 2.934 -15.310 -16.591 1.00 0.00 H new ATOM 0 HG3 LYS A 477 2.243 -13.829 -17.226 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.687 -13.755 -17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.225 -12.542 -16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.815 -13.520 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.596 -14.742 -14.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.672 -15.740 -15.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.448 -16.018 -16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.629 -14.833 -16.886 1.00 0.00 H new ATOM 764 N ALA A 478 -0.233 -12.929 -13.450 1.00 0.00 N ATOM 765 CA ALA A 478 -0.836 -12.566 -12.137 1.00 0.00 C ATOM 766 C ALA A 478 -2.098 -13.401 -11.906 1.00 0.00 C ATOM 767 O ALA A 478 -2.334 -13.900 -10.825 1.00 0.00 O ATOM 768 CB ALA A 478 -1.200 -11.080 -12.134 1.00 0.00 C ATOM 0 H ALA A 478 -0.212 -12.178 -14.140 1.00 0.00 H new ATOM 0 HA ALA A 478 -0.118 -12.765 -11.341 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.641 -10.815 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.301 -10.485 -12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.917 -10.879 -12.930 1.00 0.00 H new ATOM 774 N GLY A 479 -2.912 -13.558 -12.915 1.00 0.00 N ATOM 775 CA GLY A 479 -4.156 -14.364 -12.749 1.00 0.00 C ATOM 776 C GLY A 479 -3.781 -15.829 -12.521 1.00 0.00 C ATOM 777 O GLY A 479 -4.429 -16.540 -11.776 1.00 0.00 O ATOM 0 H GLY A 479 -2.770 -13.164 -13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.736 -13.989 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.785 -14.271 -13.635 1.00 0.00 H new ATOM 781 N ALA A 480 -2.733 -16.281 -13.148 1.00 0.00 N ATOM 782 CA ALA A 480 -2.305 -17.696 -12.963 1.00 0.00 C ATOM 783 C ALA A 480 -1.526 -17.815 -11.653 1.00 0.00 C ATOM 784 O ALA A 480 -1.895 -18.554 -10.763 1.00 0.00 O ATOM 785 CB ALA A 480 -1.409 -18.115 -14.130 1.00 0.00 C ATOM 0 H ALA A 480 -2.153 -15.732 -13.782 1.00 0.00 H new ATOM 0 HA ALA A 480 -3.181 -18.344 -12.930 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -1.096 -19.150 -13.995 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.962 -18.022 -15.065 1.00 0.00 H new ATOM 0 HB3 ALA A 480 -0.530 -17.471 -14.163 1.00 0.00 H new ATOM 791 N LEU A 481 -0.451 -17.084 -11.528 1.00 0.00 N ATOM 792 CA LEU A 481 0.350 -17.145 -10.275 1.00 0.00 C ATOM 793 C LEU A 481 -0.589 -17.056 -9.073 1.00 0.00 C ATOM 794 O LEU A 481 -0.597 -17.916 -8.214 1.00 0.00 O ATOM 795 CB LEU A 481 1.331 -15.970 -10.248 1.00 0.00 C ATOM 796 CG LEU A 481 2.424 -16.217 -9.200 1.00 0.00 C ATOM 797 CD1 LEU A 481 2.793 -17.701 -9.166 1.00 0.00 C ATOM 798 CD2 LEU A 481 3.665 -15.399 -9.561 1.00 0.00 C ATOM 0 H LEU A 481 -0.094 -16.447 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 481 0.904 -18.083 -10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.783 -15.841 -11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 481 0.798 -15.047 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 481 2.052 -15.917 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 481 3.570 -17.866 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.912 -18.289 -8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.161 -18.007 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 481 4.444 -15.572 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 481 4.027 -15.702 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 481 3.410 -14.339 -9.579 1.00 0.00 H new ATOM 810 N ILE A 482 -1.387 -16.025 -9.009 1.00 0.00 N ATOM 811 CA ILE A 482 -2.330 -15.888 -7.865 1.00 0.00 C ATOM 812 C ILE A 482 -3.233 -17.119 -7.816 1.00 0.00 C ATOM 813 O ILE A 482 -3.541 -17.637 -6.760 1.00 0.00 O ATOM 814 CB ILE A 482 -3.187 -14.634 -8.047 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.291 -13.396 -8.054 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.186 -14.534 -6.892 1.00 0.00 C ATOM 817 CD1 ILE A 482 -3.163 -12.146 -8.178 1.00 0.00 C ATOM 0 H ILE A 482 -1.426 -15.274 -9.698 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.767 -15.803 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.725 -14.695 -8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.702 -13.354 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.587 -13.447 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.799 -13.642 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.826 -15.416 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.645 -14.473 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.529 -11.259 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.733 -12.190 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.850 -12.096 -7.333 1.00 0.00 H new ATOM 829 N MET A 483 -3.650 -17.596 -8.955 1.00 0.00 N ATOM 830 CA MET A 483 -4.522 -18.801 -8.982 1.00 0.00 C ATOM 831 C MET A 483 -3.693 -20.021 -8.583 1.00 0.00 C ATOM 832 O MET A 483 -4.202 -20.981 -8.041 1.00 0.00 O ATOM 833 CB MET A 483 -5.079 -18.993 -10.394 1.00 0.00 C ATOM 834 CG MET A 483 -6.453 -18.327 -10.492 1.00 0.00 C ATOM 835 SD MET A 483 -7.278 -18.868 -12.009 1.00 0.00 S ATOM 836 CE MET A 483 -5.971 -18.378 -13.160 1.00 0.00 C ATOM 0 H MET A 483 -3.424 -17.203 -9.869 1.00 0.00 H new ATOM 0 HA MET A 483 -5.351 -18.678 -8.285 1.00 0.00 H new ATOM 0 HB2 MET A 483 -4.399 -18.559 -11.127 1.00 0.00 H new ATOM 0 HB3 MET A 483 -5.160 -20.055 -10.624 1.00 0.00 H new ATOM 0 HG2 MET A 483 -7.058 -18.587 -9.624 1.00 0.00 H new ATOM 0 HG3 MET A 483 -6.344 -17.242 -10.491 1.00 0.00 H new ATOM 0 HE1 MET A 483 -6.321 -18.508 -14.184 1.00 0.00 H new ATOM 0 HE2 MET A 483 -5.714 -17.332 -12.994 1.00 0.00 H new ATOM 0 HE3 MET A 483 -5.090 -18.999 -12.996 1.00 0.00 H new ATOM 846 N ALA A 484 -2.413 -19.985 -8.837 1.00 0.00 N ATOM 847 CA ALA A 484 -1.547 -21.135 -8.460 1.00 0.00 C ATOM 848 C ALA A 484 -1.510 -21.241 -6.937 1.00 0.00 C ATOM 849 O ALA A 484 -1.577 -22.317 -6.374 1.00 0.00 O ATOM 850 CB ALA A 484 -0.133 -20.908 -8.998 1.00 0.00 C ATOM 0 H ALA A 484 -1.931 -19.208 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 484 -1.944 -22.057 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.501 -21.750 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 484 -0.167 -20.820 -10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.276 -19.992 -8.572 1.00 0.00 H new ATOM 856 N ALA A 485 -1.422 -20.128 -6.266 1.00 0.00 N ATOM 857 CA ALA A 485 -1.400 -20.153 -4.778 1.00 0.00 C ATOM 858 C ALA A 485 -2.815 -20.434 -4.276 1.00 0.00 C ATOM 859 O ALA A 485 -3.014 -21.119 -3.292 1.00 0.00 O ATOM 860 CB ALA A 485 -0.929 -18.798 -4.247 1.00 0.00 C ATOM 0 H ALA A 485 -1.364 -19.200 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.717 -20.928 -4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.914 -18.820 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.074 -18.590 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.611 -18.018 -4.585 1.00 0.00 H new ATOM 866 N ARG A 486 -3.798 -19.918 -4.958 1.00 0.00 N ATOM 867 CA ARG A 486 -5.206 -20.158 -4.540 1.00 0.00 C ATOM 868 C ARG A 486 -5.531 -21.639 -4.732 1.00 0.00 C ATOM 869 O ARG A 486 -6.132 -22.272 -3.889 1.00 0.00 O ATOM 870 CB ARG A 486 -6.145 -19.317 -5.407 1.00 0.00 C ATOM 871 CG ARG A 486 -5.944 -17.834 -5.096 1.00 0.00 C ATOM 872 CD ARG A 486 -6.650 -16.989 -6.157 1.00 0.00 C ATOM 873 NE ARG A 486 -7.405 -15.888 -5.496 1.00 0.00 N ATOM 874 CZ ARG A 486 -8.307 -15.222 -6.164 1.00 0.00 C ATOM 875 NH1 ARG A 486 -8.108 -13.966 -6.457 1.00 0.00 N ATOM 876 NH2 ARG A 486 -9.408 -15.814 -6.540 1.00 0.00 N ATOM 0 H ARG A 486 -3.686 -19.338 -5.790 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.335 -19.881 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.949 -19.507 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -7.181 -19.601 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -6.341 -17.602 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.880 -17.597 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -5.920 -16.576 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.329 -17.611 -6.739 1.00 0.00 H new ATOM 0 HE ARG A 486 -7.217 -15.655 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.247 -13.504 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -8.813 -13.446 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -9.563 -16.796 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -10.114 -15.295 -7.062 1.00 0.00 H new ATOM 890 N ASN A 487 -5.125 -22.192 -5.841 1.00 0.00 N ATOM 891 CA ASN A 487 -5.397 -23.634 -6.104 1.00 0.00 C ATOM 892 C ASN A 487 -4.687 -24.490 -5.052 1.00 0.00 C ATOM 893 O ASN A 487 -5.172 -25.530 -4.655 1.00 0.00 O ATOM 894 CB ASN A 487 -4.876 -24.005 -7.493 1.00 0.00 C ATOM 895 CG ASN A 487 -5.680 -23.256 -8.558 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.889 -23.167 -8.473 1.00 0.00 O ATOM 897 ND2 ASN A 487 -5.055 -22.710 -9.565 1.00 0.00 N ATOM 0 H ASN A 487 -4.615 -21.706 -6.579 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.471 -23.814 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -3.819 -23.752 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -4.960 -25.081 -7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.581 -22.209 -10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -4.040 -22.785 -9.636 1.00 0.00 H new ATOM 904 N ILE A 488 -3.538 -24.064 -4.606 1.00 0.00 N ATOM 905 CA ILE A 488 -2.793 -24.859 -3.588 1.00 0.00 C ATOM 906 C ILE A 488 -3.330 -24.552 -2.190 1.00 0.00 C ATOM 907 O ILE A 488 -3.492 -25.434 -1.369 1.00 0.00 O ATOM 908 CB ILE A 488 -1.306 -24.505 -3.655 1.00 0.00 C ATOM 909 CG1 ILE A 488 -0.766 -24.836 -5.048 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.541 -25.315 -2.605 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.696 -24.397 -5.149 1.00 0.00 C ATOM 0 H ILE A 488 -3.082 -23.201 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 488 -2.926 -25.921 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.176 -23.441 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -0.849 -25.906 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.361 -24.332 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.518 -25.063 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -0.926 -25.080 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -0.670 -26.379 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 488 1.079 -24.633 -6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.766 -23.323 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.286 -24.922 -4.398 1.00 0.00 H new ATOM 923 N CYS A 489 -3.600 -23.310 -1.907 1.00 0.00 N ATOM 924 CA CYS A 489 -4.120 -22.948 -0.557 1.00 0.00 C ATOM 925 C CYS A 489 -5.605 -23.301 -0.465 1.00 0.00 C ATOM 926 O CYS A 489 -6.113 -23.613 0.593 1.00 0.00 O ATOM 927 CB CYS A 489 -3.937 -21.446 -0.326 1.00 0.00 C ATOM 928 SG CYS A 489 -2.355 -21.150 0.499 1.00 0.00 S ATOM 0 H CYS A 489 -3.484 -22.528 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.570 -23.503 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.968 -20.915 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.754 -21.059 0.282 1.00 0.00 H new ATOM 0 HG CYS A 489 -2.556 -20.967 1.770 1.00 0.00 H new ATOM 934 N TRP A 490 -6.305 -23.250 -1.563 1.00 0.00 N ATOM 935 CA TRP A 490 -7.758 -23.579 -1.536 1.00 0.00 C ATOM 936 C TRP A 490 -7.963 -25.028 -1.980 1.00 0.00 C ATOM 937 O TRP A 490 -8.078 -25.927 -1.171 1.00 0.00 O ATOM 938 CB TRP A 490 -8.509 -22.648 -2.487 1.00 0.00 C ATOM 939 CG TRP A 490 -8.348 -21.232 -2.035 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.770 -20.846 -0.874 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.755 -20.010 -2.715 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.799 -19.464 -0.799 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.397 -18.904 -1.910 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.397 -19.758 -3.941 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.664 -17.592 -2.308 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.668 -18.440 -4.344 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.302 -17.360 -3.528 1.00 0.00 C ATOM 0 H TRP A 490 -5.934 -22.995 -2.478 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.139 -23.451 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.126 -22.762 -3.501 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.566 -22.914 -2.513 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.354 -21.507 -0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.424 -18.925 -0.018 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.683 -20.583 -4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.379 -16.763 -1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.161 -18.257 -5.287 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.514 -16.349 -3.843 1.00 0.00 H new