USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 Set 1.1: A 505 LYS NZ :NH3+ 155:sc= 0.99 (180deg=-0.00197) USER MOD Set 1.2: A 514 SER OG : rot -105:sc= 0.973 USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -47:sc= 1.21 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -174:sc= -3.49 (180deg=-4.02) USER MOD Single : A 469 THR OG1 : rot 124:sc= 0.0698 USER MOD Single : A 470 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0079) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.0027 K(o=-0.0027,f=-1.5) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 16:sc= 0.202! USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= 0.174 K(o=0.17,f=-2.1) USER MOD Single : A 489 THR OG1 : rot 72:sc= 0.505 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= -0.0758 K(o=-0.076,f=-0.98) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.6) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN : amide:sc= -0.0059 K(o=-0.0059,f=-0.98) USER MOD Single : A 510 LYS NZ :NH3+ 142:sc= 0.482 (180deg=-0.612) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -3.46! C(o=-4.8!,f=-3.5!) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -19.889 -3.577 1.632 1.00 0.00 N ATOM 2 CA ASP A 451 -18.792 -2.662 1.222 1.00 0.00 C ATOM 3 C ASP A 451 -17.456 -3.104 1.810 1.00 0.00 C ATOM 4 O ASP A 451 -17.404 -3.669 2.903 1.00 0.00 O ATOM 5 CB ASP A 451 -19.135 -1.248 1.694 1.00 0.00 C ATOM 6 CG ASP A 451 -18.131 -0.217 1.215 1.00 0.00 C ATOM 7 OD1 ASP A 451 -17.351 -0.532 0.291 1.00 0.00 O ATOM 8 OD2 ASP A 451 -18.124 0.904 1.764 1.00 0.00 O ATOM 0 HA ASP A 451 -18.695 -2.683 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -20.128 -0.979 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -19.176 -1.232 2.783 1.00 0.00 H new ATOM 12 N VAL A 452 -16.377 -2.843 1.078 1.00 0.00 N ATOM 13 CA VAL A 452 -15.041 -3.214 1.528 1.00 0.00 C ATOM 14 C VAL A 452 -14.174 -1.979 1.748 1.00 0.00 C ATOM 15 O VAL A 452 -14.153 -1.066 0.922 1.00 0.00 O ATOM 16 CB VAL A 452 -14.345 -4.141 0.514 1.00 0.00 C ATOM 17 CG1 VAL A 452 -13.027 -4.655 1.075 1.00 0.00 C ATOM 18 CG2 VAL A 452 -15.258 -5.297 0.134 1.00 0.00 C ATOM 0 H VAL A 452 -16.402 -2.376 0.171 1.00 0.00 H new ATOM 0 HA VAL A 452 -15.160 -3.745 2.472 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.129 -3.566 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -12.550 -5.308 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -12.370 -3.812 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -13.215 -5.213 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -14.750 -5.942 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -15.507 -5.872 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -16.172 -4.907 -0.313 1.00 0.00 H new ATOM 28 N GLN A 453 -13.458 -1.958 2.868 1.00 0.00 N ATOM 29 CA GLN A 453 -12.588 -0.835 3.198 1.00 0.00 C ATOM 30 C GLN A 453 -11.138 -1.291 3.327 1.00 0.00 C ATOM 31 O GLN A 453 -10.866 -2.464 3.583 1.00 0.00 O ATOM 32 CB GLN A 453 -13.044 -0.174 4.500 1.00 0.00 C ATOM 33 CG GLN A 453 -14.435 0.433 4.419 1.00 0.00 C ATOM 34 CD GLN A 453 -14.883 1.043 5.732 1.00 0.00 C ATOM 35 OE1 GLN A 453 -14.301 0.778 6.784 1.00 0.00 O ATOM 36 NE2 GLN A 453 -15.924 1.867 5.678 1.00 0.00 N ATOM 0 H GLN A 453 -13.463 -2.706 3.562 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.652 -0.108 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -13.026 -0.915 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -12.332 0.605 4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -14.448 1.199 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -15.146 -0.337 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -16.377 2.059 4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -16.270 2.308 6.530 1.00 0.00 H new ATOM 45 N VAL A 454 -10.211 -0.355 3.148 1.00 0.00 N ATOM 46 CA VAL A 454 -8.789 -0.661 3.245 1.00 0.00 C ATOM 47 C VAL A 454 -8.432 -1.177 4.635 1.00 0.00 C ATOM 48 O VAL A 454 -8.856 -0.615 5.644 1.00 0.00 O ATOM 49 CB VAL A 454 -7.926 0.575 2.930 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.456 0.193 2.841 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.391 1.236 1.641 1.00 0.00 C ATOM 0 H VAL A 454 -10.419 0.621 2.935 1.00 0.00 H new ATOM 0 HA VAL A 454 -8.581 -1.437 2.508 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.042 1.292 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -5.863 1.080 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.132 -0.231 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.319 -0.544 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.770 2.107 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.307 0.527 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.430 1.548 1.746 1.00 0.00 H new ATOM 61 N THR A 455 -7.650 -2.251 4.680 1.00 0.00 N ATOM 62 CA THR A 455 -7.237 -2.844 5.947 1.00 0.00 C ATOM 63 C THR A 455 -5.727 -2.740 6.132 1.00 0.00 C ATOM 64 O THR A 455 -4.964 -2.857 5.172 1.00 0.00 O ATOM 65 CB THR A 455 -7.671 -4.309 6.013 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.063 -4.431 5.781 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.368 -4.963 7.343 1.00 0.00 C ATOM 0 H THR A 455 -7.290 -2.728 3.854 1.00 0.00 H new ATOM 0 HA THR A 455 -7.721 -2.291 6.752 1.00 0.00 H new ATOM 0 HB THR A 455 -7.096 -4.816 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.321 -5.375 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 455 -7.701 -6.001 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.294 -4.930 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.890 -4.430 8.138 1.00 0.00 H new ATOM 75 N GLU A 456 -5.302 -2.521 7.372 1.00 0.00 N ATOM 76 CA GLU A 456 -3.882 -2.402 7.684 1.00 0.00 C ATOM 77 C GLU A 456 -3.141 -3.692 7.348 1.00 0.00 C ATOM 78 O GLU A 456 -2.047 -3.663 6.784 1.00 0.00 O ATOM 79 CB GLU A 456 -3.693 -2.066 9.165 1.00 0.00 C ATOM 80 CG GLU A 456 -4.339 -0.754 9.579 1.00 0.00 C ATOM 81 CD GLU A 456 -4.132 -0.437 11.048 1.00 0.00 C ATOM 82 OE1 GLU A 456 -3.574 -1.291 11.768 1.00 0.00 O ATOM 83 OE2 GLU A 456 -4.529 0.667 11.478 1.00 0.00 O ATOM 0 H GLU A 456 -5.920 -2.422 8.177 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.468 -1.597 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.110 -2.873 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.626 -2.022 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -3.928 0.055 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -5.408 -0.797 9.368 1.00 0.00 H new ATOM 90 N ASP A 457 -3.744 -4.822 7.699 1.00 0.00 N ATOM 91 CA ASP A 457 -3.143 -6.125 7.437 1.00 0.00 C ATOM 92 C ASP A 457 -3.159 -6.445 5.946 1.00 0.00 C ATOM 93 O ASP A 457 -2.234 -7.067 5.425 1.00 0.00 O ATOM 94 CB ASP A 457 -3.883 -7.216 8.213 1.00 0.00 C ATOM 95 CG ASP A 457 -3.178 -8.557 8.141 1.00 0.00 C ATOM 96 OD1 ASP A 457 -1.996 -8.587 7.738 1.00 0.00 O ATOM 97 OD2 ASP A 457 -3.808 -9.578 8.488 1.00 0.00 O ATOM 0 H ASP A 457 -4.650 -4.862 8.166 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.106 -6.091 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -3.979 -6.915 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.893 -7.318 7.817 1.00 0.00 H new ATOM 102 N ALA A 458 -4.218 -6.017 5.264 1.00 0.00 N ATOM 103 CA ALA A 458 -4.355 -6.261 3.832 1.00 0.00 C ATOM 104 C ALA A 458 -3.166 -5.700 3.060 1.00 0.00 C ATOM 105 O ALA A 458 -2.610 -6.367 2.187 1.00 0.00 O ATOM 106 CB ALA A 458 -5.653 -5.657 3.318 1.00 0.00 C ATOM 0 H ALA A 458 -4.993 -5.500 5.680 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.379 -7.339 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.744 -5.846 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.496 -6.110 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.650 -4.582 3.498 1.00 0.00 H new ATOM 112 N VAL A 459 -2.779 -4.472 3.387 1.00 0.00 N ATOM 113 CA VAL A 459 -1.655 -3.823 2.724 1.00 0.00 C ATOM 114 C VAL A 459 -0.347 -4.544 3.032 1.00 0.00 C ATOM 115 O VAL A 459 0.506 -4.704 2.159 1.00 0.00 O ATOM 116 CB VAL A 459 -1.529 -2.347 3.148 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.436 -1.651 2.350 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.859 -1.627 2.983 1.00 0.00 C ATOM 0 H VAL A 459 -3.228 -3.906 4.107 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.848 -3.869 1.652 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.253 -2.315 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.363 -0.610 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.517 -2.151 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.678 -1.693 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.750 -0.586 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.168 -1.669 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.613 -2.109 3.604 1.00 0.00 H new ATOM 128 N ARG A 460 -0.196 -4.974 4.280 1.00 0.00 N ATOM 129 CA ARG A 460 1.008 -5.676 4.708 1.00 0.00 C ATOM 130 C ARG A 460 1.213 -6.956 3.903 1.00 0.00 C ATOM 131 O ARG A 460 2.341 -7.312 3.563 1.00 0.00 O ATOM 132 CB ARG A 460 0.926 -6.006 6.200 1.00 0.00 C ATOM 133 CG ARG A 460 2.205 -6.603 6.763 1.00 0.00 C ATOM 134 CD ARG A 460 2.052 -6.963 8.232 1.00 0.00 C ATOM 135 NE ARG A 460 3.316 -7.387 8.827 1.00 0.00 N ATOM 136 CZ ARG A 460 3.514 -7.511 10.138 1.00 0.00 C ATOM 137 NH1 ARG A 460 2.533 -7.245 10.992 1.00 0.00 N ATOM 138 NH2 ARG A 460 4.695 -7.903 10.596 1.00 0.00 N ATOM 0 H ARG A 460 -0.893 -4.848 5.014 1.00 0.00 H new ATOM 0 HA ARG A 460 1.861 -5.020 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.686 -5.097 6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 460 0.106 -6.705 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 460 2.473 -7.494 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 460 3.023 -5.892 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 460 1.665 -6.102 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 460 1.317 -7.762 8.335 1.00 0.00 H new ATOM 0 HE ARG A 460 4.093 -7.601 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 460 1.622 -6.944 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 460 2.690 -7.342 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 460 5.452 -8.110 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 460 4.847 -7.998 11.600 1.00 0.00 H new ATOM 152 N ARG A 461 0.116 -7.645 3.604 1.00 0.00 N ATOM 153 CA ARG A 461 0.177 -8.888 2.841 1.00 0.00 C ATOM 154 C ARG A 461 0.860 -8.674 1.494 1.00 0.00 C ATOM 155 O ARG A 461 1.635 -9.517 1.040 1.00 0.00 O ATOM 156 CB ARG A 461 -1.230 -9.449 2.627 1.00 0.00 C ATOM 157 CG ARG A 461 -1.885 -9.953 3.903 1.00 0.00 C ATOM 158 CD ARG A 461 -3.240 -10.581 3.623 1.00 0.00 C ATOM 159 NE ARG A 461 -3.118 -11.851 2.910 1.00 0.00 N ATOM 160 CZ ARG A 461 -2.641 -12.966 3.458 1.00 0.00 C ATOM 161 NH1 ARG A 461 -2.241 -12.974 4.724 1.00 0.00 N ATOM 162 NH2 ARG A 461 -2.564 -14.077 2.739 1.00 0.00 N ATOM 0 H ARG A 461 -0.826 -7.364 3.878 1.00 0.00 H new ATOM 0 HA ARG A 461 0.766 -9.604 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -1.858 -8.674 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.181 -10.266 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.235 -10.686 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.004 -9.126 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.766 -10.743 4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.845 -9.891 3.034 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.416 -11.885 1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -2.298 -12.122 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -1.876 -13.832 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -2.870 -14.077 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -2.198 -14.932 3.159 1.00 0.00 H new ATOM 176 N TYR A 462 0.569 -7.545 0.858 1.00 0.00 N ATOM 177 CA TYR A 462 1.157 -7.225 -0.438 1.00 0.00 C ATOM 178 C TYR A 462 2.665 -7.025 -0.319 1.00 0.00 C ATOM 179 O TYR A 462 3.427 -7.449 -1.187 1.00 0.00 O ATOM 180 CB TYR A 462 0.509 -5.968 -1.020 1.00 0.00 C ATOM 181 CG TYR A 462 -0.931 -6.166 -1.436 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.247 -6.716 -2.672 1.00 0.00 C ATOM 183 CD2 TYR A 462 -1.974 -5.803 -0.594 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.562 -6.899 -3.057 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.292 -5.982 -0.971 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.580 -6.530 -2.203 1.00 0.00 C ATOM 187 OH TYR A 462 -4.890 -6.711 -2.582 1.00 0.00 O ATOM 0 H TYR A 462 -0.070 -6.836 1.218 1.00 0.00 H new ATOM 0 HA TYR A 462 0.972 -8.064 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.558 -5.169 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 462 1.086 -5.639 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.452 -7.005 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -1.752 -5.374 0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -2.791 -7.329 -4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.091 -5.694 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.483 -6.401 -1.867 1.00 0.00 H new ATOM 197 N LEU A 463 3.088 -6.377 0.761 1.00 0.00 N ATOM 198 CA LEU A 463 4.505 -6.120 0.993 1.00 0.00 C ATOM 199 C LEU A 463 5.253 -7.414 1.297 1.00 0.00 C ATOM 200 O LEU A 463 6.391 -7.600 0.865 1.00 0.00 O ATOM 201 CB LEU A 463 4.683 -5.131 2.146 1.00 0.00 C ATOM 202 CG LEU A 463 4.046 -3.758 1.925 1.00 0.00 C ATOM 203 CD1 LEU A 463 4.104 -2.931 3.200 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.738 -3.029 0.783 1.00 0.00 C ATOM 0 H LEU A 463 2.470 -6.020 1.490 1.00 0.00 H new ATOM 0 HA LEU A 463 4.922 -5.687 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 463 4.260 -5.570 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.749 -4.995 2.327 1.00 0.00 H new ATOM 0 HG LEU A 463 2.999 -3.902 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.646 -1.958 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 463 3.564 -3.447 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 463 5.144 -2.794 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.273 -2.054 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.793 -2.896 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.645 -3.614 -0.132 1.00 0.00 H new ATOM 216 N THR A 464 4.608 -8.305 2.042 1.00 0.00 N ATOM 217 CA THR A 464 5.211 -9.579 2.404 1.00 0.00 C ATOM 218 C THR A 464 5.548 -10.396 1.162 1.00 0.00 C ATOM 219 O THR A 464 6.523 -11.148 1.147 1.00 0.00 O ATOM 220 CB THR A 464 4.263 -10.366 3.307 1.00 0.00 C ATOM 221 OG1 THR A 464 3.184 -10.898 2.559 1.00 0.00 O ATOM 222 CG2 THR A 464 3.678 -9.537 4.431 1.00 0.00 C ATOM 0 H THR A 464 3.666 -8.166 2.407 1.00 0.00 H new ATOM 0 HA THR A 464 6.138 -9.379 2.942 1.00 0.00 H new ATOM 0 HB THR A 464 4.872 -11.159 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.815 -10.202 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.014 -10.157 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.483 -9.153 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.115 -8.703 4.013 1.00 0.00 H new ATOM 230 N ARG A 465 4.735 -10.245 0.121 1.00 0.00 N ATOM 231 CA ARG A 465 4.948 -10.970 -1.126 1.00 0.00 C ATOM 232 C ARG A 465 6.035 -10.308 -1.963 1.00 0.00 C ATOM 233 O ARG A 465 7.077 -10.903 -2.233 1.00 0.00 O ATOM 234 CB ARG A 465 3.646 -11.046 -1.926 1.00 0.00 C ATOM 235 CG ARG A 465 2.575 -11.898 -1.264 1.00 0.00 C ATOM 236 CD ARG A 465 1.348 -12.036 -2.150 1.00 0.00 C ATOM 237 NE ARG A 465 0.255 -12.726 -1.468 1.00 0.00 N ATOM 238 CZ ARG A 465 0.212 -14.043 -1.282 1.00 0.00 C ATOM 239 NH1 ARG A 465 1.196 -14.816 -1.724 1.00 0.00 N ATOM 240 NH2 ARG A 465 -0.819 -14.590 -0.651 1.00 0.00 N ATOM 0 H ARG A 465 3.923 -9.627 0.117 1.00 0.00 H new ATOM 0 HA ARG A 465 5.273 -11.980 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 465 3.259 -10.037 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.860 -11.450 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.979 -12.886 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 465 2.289 -11.451 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 465 1.013 -11.047 -2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 465 1.614 -12.583 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 465 -0.520 -12.165 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 465 1.991 -14.401 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 465 1.157 -15.825 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.578 -14.001 -0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -0.852 -15.599 -0.508 1.00 0.00 H new ATOM 254 N LYS A 466 5.781 -9.072 -2.367 1.00 0.00 N ATOM 255 CA LYS A 466 6.733 -8.318 -3.174 1.00 0.00 C ATOM 256 C LYS A 466 6.681 -6.831 -2.832 1.00 0.00 C ATOM 257 O LYS A 466 5.634 -6.311 -2.447 1.00 0.00 O ATOM 258 CB LYS A 466 6.445 -8.521 -4.663 1.00 0.00 C ATOM 259 CG LYS A 466 5.031 -8.138 -5.067 1.00 0.00 C ATOM 260 CD LYS A 466 4.064 -9.295 -4.876 1.00 0.00 C ATOM 261 CE LYS A 466 2.860 -9.172 -5.796 1.00 0.00 C ATOM 262 NZ LYS A 466 2.284 -10.502 -6.137 1.00 0.00 N ATOM 0 H LYS A 466 4.922 -8.568 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 466 7.733 -8.689 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 466 7.153 -7.931 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.616 -9.567 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 466 4.701 -7.285 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 466 5.022 -7.824 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 466 4.578 -10.236 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 466 3.730 -9.324 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 466 2.098 -8.558 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 466 3.153 -8.658 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 1.465 -10.375 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 3.003 -11.079 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 1.980 -10.982 -5.266 1.00 0.00 H new ATOM 276 N PRO A 467 7.816 -6.124 -2.969 1.00 0.00 N ATOM 277 CA PRO A 467 7.893 -4.690 -2.672 1.00 0.00 C ATOM 278 C PRO A 467 6.832 -3.888 -3.418 1.00 0.00 C ATOM 279 O PRO A 467 6.575 -4.126 -4.598 1.00 0.00 O ATOM 280 CB PRO A 467 9.294 -4.299 -3.152 1.00 0.00 C ATOM 281 CG PRO A 467 10.080 -5.563 -3.101 1.00 0.00 C ATOM 282 CD PRO A 467 9.110 -6.666 -3.423 1.00 0.00 C ATOM 0 HA PRO A 467 7.718 -4.483 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.266 -3.891 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.733 -3.534 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 467 10.900 -5.542 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.523 -5.708 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.099 -6.893 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.364 -7.590 -2.903 1.00 0.00 H new ATOM 290 N MET A 468 6.219 -2.936 -2.721 1.00 0.00 N ATOM 291 CA MET A 468 5.185 -2.099 -3.318 1.00 0.00 C ATOM 292 C MET A 468 5.497 -0.620 -3.114 1.00 0.00 C ATOM 293 O MET A 468 6.275 -0.255 -2.232 1.00 0.00 O ATOM 294 CB MET A 468 3.819 -2.431 -2.714 1.00 0.00 C ATOM 295 CG MET A 468 3.400 -3.878 -2.917 1.00 0.00 C ATOM 296 SD MET A 468 3.373 -4.355 -4.655 1.00 0.00 S ATOM 297 CE MET A 468 2.111 -3.253 -5.289 1.00 0.00 C ATOM 0 H MET A 468 6.420 -2.726 -1.743 1.00 0.00 H new ATOM 0 HA MET A 468 5.161 -2.303 -4.388 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.841 -2.214 -1.646 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.067 -1.778 -3.157 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.085 -4.530 -2.376 1.00 0.00 H new ATOM 0 HG3 MET A 468 2.410 -4.029 -2.487 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.902 -3.499 -6.330 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.201 -3.365 -4.700 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.461 -2.223 -5.223 1.00 0.00 H new ATOM 307 N THR A 469 4.885 0.228 -3.934 1.00 0.00 N ATOM 308 CA THR A 469 5.095 1.668 -3.844 1.00 0.00 C ATOM 309 C THR A 469 3.788 2.389 -3.531 1.00 0.00 C ATOM 310 O THR A 469 2.705 1.824 -3.682 1.00 0.00 O ATOM 311 CB THR A 469 5.685 2.202 -5.150 1.00 0.00 C ATOM 312 OG1 THR A 469 4.698 2.244 -6.166 1.00 0.00 O ATOM 313 CG2 THR A 469 6.841 1.373 -5.668 1.00 0.00 C ATOM 0 H THR A 469 4.239 -0.058 -4.669 1.00 0.00 H new ATOM 0 HA THR A 469 5.798 1.857 -3.033 1.00 0.00 H new ATOM 0 HB THR A 469 6.052 3.201 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 469 4.634 3.155 -6.522 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.212 1.807 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.641 1.361 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.503 0.353 -5.854 1.00 0.00 H new ATOM 321 N THR A 470 3.897 3.640 -3.096 1.00 0.00 N ATOM 322 CA THR A 470 2.722 4.437 -2.762 1.00 0.00 C ATOM 323 C THR A 470 1.789 4.563 -3.962 1.00 0.00 C ATOM 324 O THR A 470 0.580 4.361 -3.846 1.00 0.00 O ATOM 325 CB THR A 470 3.143 5.827 -2.282 1.00 0.00 C ATOM 326 OG1 THR A 470 3.926 6.480 -3.264 1.00 0.00 O ATOM 327 CG2 THR A 470 3.944 5.799 -0.998 1.00 0.00 C ATOM 0 H THR A 470 4.786 4.123 -2.967 1.00 0.00 H new ATOM 0 HA THR A 470 2.186 3.929 -1.960 1.00 0.00 H new ATOM 0 HB THR A 470 2.212 6.364 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.184 7.368 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.211 6.817 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.347 5.345 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.852 5.215 -1.148 1.00 0.00 H new ATOM 335 N LYS A 471 2.359 4.897 -5.115 1.00 0.00 N ATOM 336 CA LYS A 471 1.579 5.049 -6.338 1.00 0.00 C ATOM 337 C LYS A 471 0.996 3.711 -6.782 1.00 0.00 C ATOM 338 O LYS A 471 -0.168 3.629 -7.173 1.00 0.00 O ATOM 339 CB LYS A 471 2.448 5.635 -7.452 1.00 0.00 C ATOM 340 CG LYS A 471 1.676 5.952 -8.723 1.00 0.00 C ATOM 341 CD LYS A 471 0.851 7.222 -8.575 1.00 0.00 C ATOM 342 CE LYS A 471 -0.639 6.933 -8.648 1.00 0.00 C ATOM 343 NZ LYS A 471 -1.422 8.140 -9.034 1.00 0.00 N ATOM 0 H LYS A 471 3.358 5.068 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 471 0.755 5.732 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 471 2.924 6.546 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.246 4.931 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.372 6.065 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.019 5.117 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 471 1.083 7.699 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 471 1.124 7.928 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -0.819 6.137 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -0.986 6.570 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -2.433 7.900 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -1.271 8.891 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -1.109 8.472 -9.969 1.00 0.00 H new ATOM 357 N ASP A 472 1.815 2.666 -6.720 1.00 0.00 N ATOM 358 CA ASP A 472 1.381 1.331 -7.117 1.00 0.00 C ATOM 359 C ASP A 472 0.234 0.845 -6.238 1.00 0.00 C ATOM 360 O ASP A 472 -0.686 0.178 -6.713 1.00 0.00 O ATOM 361 CB ASP A 472 2.551 0.348 -7.038 1.00 0.00 C ATOM 362 CG ASP A 472 2.231 -0.988 -7.681 1.00 0.00 C ATOM 363 OD1 ASP A 472 1.182 -1.090 -8.350 1.00 0.00 O ATOM 364 OD2 ASP A 472 3.031 -1.933 -7.514 1.00 0.00 O ATOM 0 H ASP A 472 2.782 2.718 -6.399 1.00 0.00 H new ATOM 0 HA ASP A 472 1.027 1.384 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.422 0.784 -7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.819 0.190 -5.993 1.00 0.00 H new ATOM 369 N LEU A 473 0.295 1.185 -4.956 1.00 0.00 N ATOM 370 CA LEU A 473 -0.739 0.784 -4.009 1.00 0.00 C ATOM 371 C LEU A 473 -2.098 1.345 -4.416 1.00 0.00 C ATOM 372 O LEU A 473 -3.116 0.660 -4.321 1.00 0.00 O ATOM 373 CB LEU A 473 -0.380 1.258 -2.599 1.00 0.00 C ATOM 374 CG LEU A 473 0.761 0.491 -1.929 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.440 1.355 -0.878 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.243 -0.799 -1.310 1.00 0.00 C ATOM 0 H LEU A 473 1.049 1.737 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.799 -0.304 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.111 2.313 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.267 1.182 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 473 1.499 0.235 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.249 0.793 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.845 2.250 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.713 1.642 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.068 -1.333 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.514 -0.565 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -0.196 -1.425 -2.087 1.00 0.00 H new ATOM 388 N LEU A 474 -2.105 2.594 -4.870 1.00 0.00 N ATOM 389 CA LEU A 474 -3.339 3.245 -5.292 1.00 0.00 C ATOM 390 C LEU A 474 -3.951 2.526 -6.490 1.00 0.00 C ATOM 391 O LEU A 474 -5.170 2.379 -6.583 1.00 0.00 O ATOM 392 CB LEU A 474 -3.073 4.711 -5.643 1.00 0.00 C ATOM 393 CG LEU A 474 -2.482 5.551 -4.510 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.332 7.001 -4.944 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.349 5.452 -3.265 1.00 0.00 C ATOM 0 H LEU A 474 -1.271 3.175 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.046 3.200 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.393 4.747 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -4.009 5.168 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.493 5.160 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.910 7.584 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.669 7.056 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.309 7.404 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.913 6.056 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.351 5.817 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.405 4.412 -2.942 1.00 0.00 H new ATOM 407 N LYS A 475 -3.097 2.081 -7.406 1.00 0.00 N ATOM 408 CA LYS A 475 -3.553 1.376 -8.598 1.00 0.00 C ATOM 409 C LYS A 475 -4.279 0.088 -8.224 1.00 0.00 C ATOM 410 O LYS A 475 -5.277 -0.277 -8.844 1.00 0.00 O ATOM 411 CB LYS A 475 -2.369 1.060 -9.514 1.00 0.00 C ATOM 412 CG LYS A 475 -1.685 2.297 -10.072 1.00 0.00 C ATOM 413 CD LYS A 475 -0.591 1.930 -11.061 1.00 0.00 C ATOM 414 CE LYS A 475 0.176 3.158 -11.525 1.00 0.00 C ATOM 415 NZ LYS A 475 -0.658 4.039 -12.388 1.00 0.00 N ATOM 0 H LYS A 475 -2.085 2.196 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.251 2.024 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.639 0.470 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.716 0.442 -10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.423 2.932 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -1.258 2.878 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 475 0.098 1.223 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.031 1.428 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 475 0.520 3.720 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 475 1.064 2.845 -12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.089 4.847 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -0.994 3.501 -13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.474 4.385 -11.844 1.00 0.00 H new ATOM 429 N LYS A 476 -3.770 -0.597 -7.205 1.00 0.00 N ATOM 430 CA LYS A 476 -4.369 -1.845 -6.747 1.00 0.00 C ATOM 431 C LYS A 476 -5.807 -1.623 -6.290 1.00 0.00 C ATOM 432 O LYS A 476 -6.673 -2.474 -6.496 1.00 0.00 O ATOM 433 CB LYS A 476 -3.545 -2.442 -5.605 1.00 0.00 C ATOM 434 CG LYS A 476 -2.102 -2.732 -5.983 1.00 0.00 C ATOM 435 CD LYS A 476 -2.013 -3.784 -7.076 1.00 0.00 C ATOM 436 CE LYS A 476 -0.573 -4.198 -7.336 1.00 0.00 C ATOM 437 NZ LYS A 476 -0.480 -5.595 -7.843 1.00 0.00 N ATOM 0 H LYS A 476 -2.944 -0.309 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.377 -2.543 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.559 -1.754 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.017 -3.366 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.622 -1.814 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.556 -3.073 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.598 -4.658 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.452 -3.394 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -0.125 -3.518 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 476 0.003 -4.107 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 0.517 -5.839 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -0.884 -6.247 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.008 -5.676 -8.735 1.00 0.00 H new ATOM 451 N PHE A 477 -6.055 -0.475 -5.669 1.00 0.00 N ATOM 452 CA PHE A 477 -7.389 -0.142 -5.182 1.00 0.00 C ATOM 453 C PHE A 477 -8.041 0.926 -6.057 1.00 0.00 C ATOM 454 O PHE A 477 -8.935 1.645 -5.610 1.00 0.00 O ATOM 455 CB PHE A 477 -7.319 0.343 -3.733 1.00 0.00 C ATOM 456 CG PHE A 477 -6.831 -0.704 -2.773 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.708 -1.630 -2.233 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.494 -0.762 -2.411 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.262 -2.595 -1.349 1.00 0.00 C ATOM 460 CE2 PHE A 477 -5.042 -1.724 -1.528 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.927 -2.642 -0.997 1.00 0.00 C ATOM 0 H PHE A 477 -5.350 0.240 -5.491 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.999 -1.044 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.659 1.209 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.309 0.677 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.753 -1.598 -2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.798 -0.047 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.956 -3.311 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.998 -1.758 -1.253 1.00 0.00 H new ATOM 0 HZ PHE A 477 -5.576 -3.395 -0.308 1.00 0.00 H new ATOM 471 N GLN A 478 -7.589 1.026 -7.304 1.00 0.00 N ATOM 472 CA GLN A 478 -8.133 2.007 -8.236 1.00 0.00 C ATOM 473 C GLN A 478 -9.626 1.782 -8.453 1.00 0.00 C ATOM 474 O GLN A 478 -10.410 2.731 -8.471 1.00 0.00 O ATOM 475 CB GLN A 478 -7.394 1.935 -9.574 1.00 0.00 C ATOM 476 CG GLN A 478 -7.585 0.615 -10.304 1.00 0.00 C ATOM 477 CD GLN A 478 -6.659 0.470 -11.496 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.480 0.817 -11.427 1.00 0.00 O ATOM 479 NE2 GLN A 478 -7.191 -0.045 -12.598 1.00 0.00 N ATOM 0 H GLN A 478 -6.849 0.441 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.993 2.998 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.738 2.748 -10.214 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -6.330 2.094 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.411 -0.208 -9.611 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -8.619 0.536 -10.640 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -8.173 -0.319 -12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.617 -0.167 -13.433 1.00 0.00 H new ATOM 488 N THR A 479 -10.012 0.521 -8.615 1.00 0.00 N ATOM 489 CA THR A 479 -11.411 0.171 -8.829 1.00 0.00 C ATOM 490 C THR A 479 -11.674 -1.282 -8.446 1.00 0.00 C ATOM 491 O THR A 479 -10.934 -2.182 -8.842 1.00 0.00 O ATOM 492 CB THR A 479 -11.800 0.404 -10.291 1.00 0.00 C ATOM 493 OG1 THR A 479 -13.184 0.176 -10.484 1.00 0.00 O ATOM 494 CG2 THR A 479 -11.049 -0.484 -11.260 1.00 0.00 C ATOM 0 H THR A 479 -9.375 -0.276 -8.602 1.00 0.00 H new ATOM 0 HA THR A 479 -12.021 0.812 -8.192 1.00 0.00 H new ATOM 0 HB THR A 479 -11.538 1.442 -10.497 1.00 0.00 H new ATOM 0 HG1 THR A 479 -13.413 0.332 -11.424 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.373 -0.267 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 479 -9.979 -0.296 -11.172 1.00 0.00 H new ATOM 0 HG23 THR A 479 -11.254 -1.529 -11.029 1.00 0.00 H new ATOM 502 N LYS A 480 -12.732 -1.502 -7.673 1.00 0.00 N ATOM 503 CA LYS A 480 -13.093 -2.846 -7.236 1.00 0.00 C ATOM 504 C LYS A 480 -14.391 -2.827 -6.435 1.00 0.00 C ATOM 505 O LYS A 480 -15.393 -3.416 -6.843 1.00 0.00 O ATOM 506 CB LYS A 480 -11.970 -3.451 -6.392 1.00 0.00 C ATOM 507 CG LYS A 480 -12.127 -4.944 -6.151 1.00 0.00 C ATOM 508 CD LYS A 480 -11.163 -5.441 -5.087 1.00 0.00 C ATOM 509 CE LYS A 480 -9.726 -5.421 -5.583 1.00 0.00 C ATOM 510 NZ LYS A 480 -8.780 -5.964 -4.569 1.00 0.00 N ATOM 0 H LYS A 480 -13.354 -0.767 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 480 -13.242 -3.461 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -11.016 -3.270 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.932 -2.938 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -13.151 -5.158 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -11.953 -5.484 -7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -11.250 -4.819 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -11.434 -6.456 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -9.650 -6.006 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -9.443 -4.399 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -7.811 -5.933 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -8.833 -5.391 -3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -9.034 -6.948 -4.349 1.00 0.00 H new ATOM 524 N LYS A 481 -14.367 -2.146 -5.294 1.00 0.00 N ATOM 525 CA LYS A 481 -15.541 -2.049 -4.436 1.00 0.00 C ATOM 526 C LYS A 481 -15.641 -0.664 -3.806 1.00 0.00 C ATOM 527 O LYS A 481 -16.704 -0.044 -3.809 1.00 0.00 O ATOM 528 CB LYS A 481 -15.489 -3.117 -3.342 1.00 0.00 C ATOM 529 CG LYS A 481 -16.744 -3.173 -2.486 1.00 0.00 C ATOM 530 CD LYS A 481 -17.899 -3.821 -3.232 1.00 0.00 C ATOM 531 CE LYS A 481 -19.131 -3.948 -2.350 1.00 0.00 C ATOM 532 NZ LYS A 481 -20.372 -4.130 -3.152 1.00 0.00 N ATOM 0 H LYS A 481 -13.546 -1.653 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.425 -2.213 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.331 -4.091 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -14.629 -2.926 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.539 -3.733 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.025 -2.164 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.141 -3.229 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -17.598 -4.808 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.008 -4.795 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -19.227 -3.057 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -21.189 -4.212 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -20.504 -3.311 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.292 -4.994 -3.725 1.00 0.00 H new ATOM 546 N THR A 482 -14.525 -0.184 -3.266 1.00 0.00 N ATOM 547 CA THR A 482 -14.486 1.129 -2.632 1.00 0.00 C ATOM 548 C THR A 482 -14.845 2.224 -3.631 1.00 0.00 C ATOM 549 O THR A 482 -14.288 2.287 -4.727 1.00 0.00 O ATOM 550 CB THR A 482 -13.098 1.393 -2.045 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.167 1.683 -3.072 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.554 0.227 -1.248 1.00 0.00 C ATOM 0 H THR A 482 -13.636 -0.684 -3.255 1.00 0.00 H new ATOM 0 HA THR A 482 -15.221 1.140 -1.827 1.00 0.00 H new ATOM 0 HB THR A 482 -13.224 2.243 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.648 1.894 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.567 0.480 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 482 -13.226 0.009 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.477 -0.649 -1.892 1.00 0.00 H new ATOM 560 N GLY A 483 -15.781 3.085 -3.245 1.00 0.00 N ATOM 561 CA GLY A 483 -16.200 4.166 -4.119 1.00 0.00 C ATOM 562 C GLY A 483 -15.506 5.475 -3.797 1.00 0.00 C ATOM 563 O GLY A 483 -16.049 6.550 -4.051 1.00 0.00 O ATOM 0 H GLY A 483 -16.257 3.054 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.993 3.893 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.278 4.300 -4.035 1.00 0.00 H new ATOM 567 N LEU A 484 -14.304 5.385 -3.238 1.00 0.00 N ATOM 568 CA LEU A 484 -13.536 6.572 -2.881 1.00 0.00 C ATOM 569 C LEU A 484 -12.631 6.999 -4.032 1.00 0.00 C ATOM 570 O LEU A 484 -12.059 6.161 -4.729 1.00 0.00 O ATOM 571 CB LEU A 484 -12.699 6.307 -1.629 1.00 0.00 C ATOM 572 CG LEU A 484 -13.488 5.824 -0.411 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.571 5.665 0.791 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.621 6.790 -0.095 1.00 0.00 C ATOM 0 H LEU A 484 -13.841 4.502 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.238 7.380 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -11.940 5.563 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.173 7.224 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 484 -13.919 4.850 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.150 5.321 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.794 4.936 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.110 6.624 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.173 6.432 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.209 7.777 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.294 6.854 -0.950 1.00 0.00 H new ATOM 586 N SER A 485 -12.504 8.308 -4.224 1.00 0.00 N ATOM 587 CA SER A 485 -11.668 8.847 -5.289 1.00 0.00 C ATOM 588 C SER A 485 -10.213 8.429 -5.103 1.00 0.00 C ATOM 589 O SER A 485 -9.787 8.107 -3.993 1.00 0.00 O ATOM 590 CB SER A 485 -11.771 10.373 -5.326 1.00 0.00 C ATOM 591 OG SER A 485 -13.115 10.790 -5.496 1.00 0.00 O ATOM 0 H SER A 485 -12.970 9.015 -3.655 1.00 0.00 H new ATOM 0 HA SER A 485 -12.026 8.443 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.372 10.790 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 485 -11.160 10.762 -6.141 1.00 0.00 H new ATOM 0 HG SER A 485 -13.154 11.769 -5.515 1.00 0.00 H new ATOM 597 N SER A 486 -9.456 8.435 -6.195 1.00 0.00 N ATOM 598 CA SER A 486 -8.048 8.056 -6.151 1.00 0.00 C ATOM 599 C SER A 486 -7.272 8.949 -5.189 1.00 0.00 C ATOM 600 O SER A 486 -6.369 8.489 -4.490 1.00 0.00 O ATOM 601 CB SER A 486 -7.433 8.138 -7.549 1.00 0.00 C ATOM 602 OG SER A 486 -8.169 7.360 -8.477 1.00 0.00 O ATOM 0 H SER A 486 -9.793 8.698 -7.121 1.00 0.00 H new ATOM 0 HA SER A 486 -7.986 7.028 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 486 -7.409 9.177 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.400 7.790 -7.516 1.00 0.00 H new ATOM 0 HG SER A 486 -7.756 7.431 -9.363 1.00 0.00 H new ATOM 608 N GLU A 487 -7.629 10.229 -5.158 1.00 0.00 N ATOM 609 CA GLU A 487 -6.966 11.187 -4.281 1.00 0.00 C ATOM 610 C GLU A 487 -7.337 10.937 -2.823 1.00 0.00 C ATOM 611 O GLU A 487 -6.492 11.029 -1.932 1.00 0.00 O ATOM 612 CB GLU A 487 -7.338 12.617 -4.678 1.00 0.00 C ATOM 613 CG GLU A 487 -8.810 12.941 -4.477 1.00 0.00 C ATOM 614 CD GLU A 487 -9.181 14.315 -5.002 1.00 0.00 C ATOM 615 OE1 GLU A 487 -8.838 14.618 -6.164 1.00 0.00 O ATOM 616 OE2 GLU A 487 -9.813 15.086 -4.251 1.00 0.00 O ATOM 0 H GLU A 487 -8.374 10.627 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 487 -5.889 11.057 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -6.738 13.315 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -7.080 12.773 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -9.416 12.188 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -9.049 12.885 -3.415 1.00 0.00 H new ATOM 623 N GLN A 488 -8.606 10.621 -2.586 1.00 0.00 N ATOM 624 CA GLN A 488 -9.089 10.358 -1.235 1.00 0.00 C ATOM 625 C GLN A 488 -8.395 9.139 -0.637 1.00 0.00 C ATOM 626 O GLN A 488 -8.084 9.112 0.554 1.00 0.00 O ATOM 627 CB GLN A 488 -10.604 10.143 -1.246 1.00 0.00 C ATOM 628 CG GLN A 488 -11.390 11.377 -1.658 1.00 0.00 C ATOM 629 CD GLN A 488 -12.883 11.123 -1.720 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.329 9.975 -1.746 1.00 0.00 O ATOM 631 NE2 GLN A 488 -13.666 12.195 -1.744 1.00 0.00 N ATOM 0 H GLN A 488 -9.318 10.541 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 488 -8.856 11.225 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -10.842 9.326 -1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -10.926 9.832 -0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.191 12.183 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -11.042 11.716 -2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.254 13.128 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -14.679 12.086 -1.786 1.00 0.00 H new ATOM 640 N THR A 489 -8.155 8.132 -1.470 1.00 0.00 N ATOM 641 CA THR A 489 -7.497 6.910 -1.024 1.00 0.00 C ATOM 642 C THR A 489 -6.096 7.207 -0.500 1.00 0.00 C ATOM 643 O THR A 489 -5.633 6.581 0.453 1.00 0.00 O ATOM 644 CB THR A 489 -7.422 5.898 -2.168 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.710 5.651 -2.703 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.834 4.567 -1.753 1.00 0.00 C ATOM 0 H THR A 489 -8.407 8.138 -2.458 1.00 0.00 H new ATOM 0 HA THR A 489 -8.087 6.486 -0.212 1.00 0.00 H new ATOM 0 HB THR A 489 -6.765 6.350 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.012 6.437 -3.205 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.810 3.896 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.820 4.717 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.448 4.128 -0.967 1.00 0.00 H new ATOM 654 N VAL A 490 -5.425 8.165 -1.131 1.00 0.00 N ATOM 655 CA VAL A 490 -4.076 8.545 -0.730 1.00 0.00 C ATOM 656 C VAL A 490 -4.047 9.022 0.719 1.00 0.00 C ATOM 657 O VAL A 490 -3.132 8.692 1.473 1.00 0.00 O ATOM 658 CB VAL A 490 -3.513 9.657 -1.635 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.056 9.936 -1.302 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.670 9.282 -3.101 1.00 0.00 C ATOM 0 H VAL A 490 -5.794 8.692 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.454 7.655 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.082 10.569 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.679 10.725 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -1.975 10.254 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.469 9.030 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.267 10.079 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.129 8.357 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.726 9.141 -3.329 1.00 0.00 H new ATOM 670 N ASN A 491 -5.055 9.800 1.102 1.00 0.00 N ATOM 671 CA ASN A 491 -5.144 10.321 2.461 1.00 0.00 C ATOM 672 C ASN A 491 -5.179 9.187 3.480 1.00 0.00 C ATOM 673 O ASN A 491 -4.469 9.220 4.485 1.00 0.00 O ATOM 674 CB ASN A 491 -6.389 11.197 2.613 1.00 0.00 C ATOM 675 CG ASN A 491 -6.450 11.887 3.962 1.00 0.00 C ATOM 676 OD1 ASN A 491 -7.223 11.498 4.837 1.00 0.00 O ATOM 677 ND2 ASN A 491 -5.631 12.918 4.136 1.00 0.00 N ATOM 0 H ASN A 491 -5.821 10.083 0.491 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.257 10.925 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.400 11.948 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.280 10.583 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -5.626 13.422 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -5.007 13.206 3.383 1.00 0.00 H new ATOM 684 N VAL A 492 -6.008 8.184 3.213 1.00 0.00 N ATOM 685 CA VAL A 492 -6.135 7.039 4.107 1.00 0.00 C ATOM 686 C VAL A 492 -4.924 6.118 3.992 1.00 0.00 C ATOM 687 O VAL A 492 -4.355 5.696 4.999 1.00 0.00 O ATOM 688 CB VAL A 492 -7.412 6.231 3.807 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.609 5.136 4.845 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.623 7.149 3.754 1.00 0.00 C ATOM 0 H VAL A 492 -6.602 8.141 2.385 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.195 7.433 5.122 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.300 5.758 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.516 4.576 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.753 4.462 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.700 5.585 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.516 6.561 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.740 7.652 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.482 7.892 2.969 1.00 0.00 H new ATOM 700 N LEU A 493 -4.536 5.811 2.759 1.00 0.00 N ATOM 701 CA LEU A 493 -3.394 4.939 2.511 1.00 0.00 C ATOM 702 C LEU A 493 -2.109 5.557 3.056 1.00 0.00 C ATOM 703 O LEU A 493 -1.236 4.853 3.561 1.00 0.00 O ATOM 704 CB LEU A 493 -3.248 4.671 1.012 1.00 0.00 C ATOM 705 CG LEU A 493 -2.566 3.350 0.652 1.00 0.00 C ATOM 706 CD1 LEU A 493 -1.223 3.233 1.357 1.00 0.00 C ATOM 707 CD2 LEU A 493 -3.462 2.174 1.010 1.00 0.00 C ATOM 0 H LEU A 493 -4.996 6.153 1.915 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.570 3.995 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.239 4.686 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.681 5.488 0.566 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.391 3.334 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.753 2.287 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.579 4.058 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -1.374 3.270 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.961 1.242 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.668 2.186 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.400 2.250 0.459 1.00 0.00 H new ATOM 719 N ALA A 494 -2.001 6.876 2.948 1.00 0.00 N ATOM 720 CA ALA A 494 -0.822 7.586 3.429 1.00 0.00 C ATOM 721 C ALA A 494 -0.725 7.528 4.950 1.00 0.00 C ATOM 722 O ALA A 494 0.370 7.480 5.510 1.00 0.00 O ATOM 723 CB ALA A 494 -0.847 9.031 2.956 1.00 0.00 C ATOM 0 H ALA A 494 -2.714 7.475 2.532 1.00 0.00 H new ATOM 0 HA ALA A 494 0.059 7.094 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.039 9.549 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.858 9.057 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.740 9.524 3.340 1.00 0.00 H new ATOM 729 N GLN A 495 -1.876 7.536 5.612 1.00 0.00 N ATOM 730 CA GLN A 495 -1.922 7.489 7.070 1.00 0.00 C ATOM 731 C GLN A 495 -1.779 6.058 7.582 1.00 0.00 C ATOM 732 O GLN A 495 -1.096 5.811 8.576 1.00 0.00 O ATOM 733 CB GLN A 495 -3.231 8.094 7.579 1.00 0.00 C ATOM 734 CG GLN A 495 -3.364 9.582 7.299 1.00 0.00 C ATOM 735 CD GLN A 495 -2.374 10.415 8.090 1.00 0.00 C ATOM 736 OE1 GLN A 495 -1.927 10.015 9.165 1.00 0.00 O ATOM 737 NE2 GLN A 495 -2.027 11.582 7.560 1.00 0.00 N ATOM 0 H GLN A 495 -2.791 7.575 5.163 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.084 8.073 7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.068 7.570 7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.305 7.927 8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.216 9.762 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.377 9.904 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.422 11.874 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.365 12.186 8.047 1.00 0.00 H new ATOM 746 N ILE A 496 -2.432 5.120 6.903 1.00 0.00 N ATOM 747 CA ILE A 496 -2.380 3.717 7.297 1.00 0.00 C ATOM 748 C ILE A 496 -0.943 3.201 7.317 1.00 0.00 C ATOM 749 O ILE A 496 -0.542 2.484 8.233 1.00 0.00 O ATOM 750 CB ILE A 496 -3.246 2.840 6.359 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.903 1.708 7.150 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.430 2.276 5.201 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.016 1.011 6.398 1.00 0.00 C ATOM 0 H ILE A 496 -3.003 5.306 6.078 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.785 3.649 8.307 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.023 3.476 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.143 0.975 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.301 2.110 8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.073 1.667 4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.014 3.096 4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.619 1.662 5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.435 0.220 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.796 1.732 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.619 0.579 5.479 1.00 0.00 H new ATOM 765 N LEU A 497 -0.178 3.572 6.299 1.00 0.00 N ATOM 766 CA LEU A 497 1.214 3.149 6.192 1.00 0.00 C ATOM 767 C LEU A 497 2.024 3.619 7.397 1.00 0.00 C ATOM 768 O LEU A 497 2.962 2.947 7.826 1.00 0.00 O ATOM 769 CB LEU A 497 1.836 3.689 4.903 1.00 0.00 C ATOM 770 CG LEU A 497 1.295 3.068 3.614 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.842 3.800 2.398 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.643 1.589 3.549 1.00 0.00 C ATOM 0 H LEU A 497 -0.498 4.166 5.534 1.00 0.00 H new ATOM 0 HA LEU A 497 1.233 2.059 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.676 4.767 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.913 3.528 4.942 1.00 0.00 H new ATOM 0 HG LEU A 497 0.209 3.166 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.446 3.344 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.542 4.847 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.930 3.734 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.250 1.163 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.726 1.469 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.202 1.074 4.402 1.00 0.00 H new ATOM 784 N LYS A 498 1.658 4.777 7.938 1.00 0.00 N ATOM 785 CA LYS A 498 2.354 5.334 9.093 1.00 0.00 C ATOM 786 C LYS A 498 2.302 4.376 10.279 1.00 0.00 C ATOM 787 O LYS A 498 3.314 4.130 10.935 1.00 0.00 O ATOM 788 CB LYS A 498 1.741 6.680 9.484 1.00 0.00 C ATOM 789 CG LYS A 498 1.832 7.731 8.391 1.00 0.00 C ATOM 790 CD LYS A 498 3.276 8.095 8.088 1.00 0.00 C ATOM 791 CE LYS A 498 3.364 9.282 7.141 1.00 0.00 C ATOM 792 NZ LYS A 498 3.200 10.577 7.857 1.00 0.00 N ATOM 0 H LYS A 498 0.885 5.347 7.596 1.00 0.00 H new ATOM 0 HA LYS A 498 3.398 5.483 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.694 6.530 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.243 7.052 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.352 7.359 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.287 8.624 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 498 3.796 8.330 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.784 7.237 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 498 4.327 9.269 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.595 9.192 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.266 11.361 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 2.271 10.601 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 3.948 10.675 8.572 1.00 0.00 H new ATOM 806 N ARG A 499 1.117 3.838 10.548 1.00 0.00 N ATOM 807 CA ARG A 499 0.934 2.908 11.656 1.00 0.00 C ATOM 808 C ARG A 499 1.743 1.633 11.436 1.00 0.00 C ATOM 809 O ARG A 499 2.357 1.108 12.365 1.00 0.00 O ATOM 810 CB ARG A 499 -0.548 2.564 11.820 1.00 0.00 C ATOM 811 CG ARG A 499 -0.881 1.931 13.161 1.00 0.00 C ATOM 812 CD ARG A 499 -2.363 1.615 13.275 1.00 0.00 C ATOM 813 NE ARG A 499 -2.738 1.224 14.632 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.988 1.244 15.091 1.00 0.00 C ATOM 815 NH1 ARG A 499 -4.985 1.633 14.305 1.00 0.00 N ATOM 816 NH2 ARG A 499 -4.242 0.874 16.338 1.00 0.00 N ATOM 0 H ARG A 499 0.269 4.030 10.014 1.00 0.00 H new ATOM 0 HA ARG A 499 1.291 3.390 12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.139 3.472 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.845 1.883 11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.302 1.016 13.286 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.589 2.606 13.966 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -2.944 2.488 12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.616 0.811 12.583 1.00 0.00 H new ATOM 0 HE ARG A 499 -1.999 0.918 15.265 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.795 1.918 13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -5.940 1.646 14.662 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -3.480 0.574 16.946 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.199 0.889 16.690 1.00 0.00 H new ATOM 830 N LEU A 500 1.740 1.141 10.202 1.00 0.00 N ATOM 831 CA LEU A 500 2.475 -0.072 9.860 1.00 0.00 C ATOM 832 C LEU A 500 3.978 0.149 9.982 1.00 0.00 C ATOM 833 O LEU A 500 4.714 -0.740 10.409 1.00 0.00 O ATOM 834 CB LEU A 500 2.128 -0.519 8.439 1.00 0.00 C ATOM 835 CG LEU A 500 0.790 -1.244 8.298 1.00 0.00 C ATOM 836 CD1 LEU A 500 -0.360 -0.249 8.302 1.00 0.00 C ATOM 837 CD2 LEU A 500 0.769 -2.082 7.029 1.00 0.00 C ATOM 0 H LEU A 500 1.237 1.563 9.422 1.00 0.00 H new ATOM 0 HA LEU A 500 2.183 -0.853 10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 500 2.119 0.357 7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.920 -1.175 8.077 1.00 0.00 H new ATOM 0 HG LEU A 500 0.668 -1.911 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -1.304 -0.784 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -0.357 0.307 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -0.244 0.444 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.191 -2.591 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.914 -1.435 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 500 1.569 -2.821 7.068 1.00 0.00 H new ATOM 849 N ASN A 501 4.425 1.340 9.604 1.00 0.00 N ATOM 850 CA ASN A 501 5.841 1.682 9.669 1.00 0.00 C ATOM 851 C ASN A 501 6.669 0.743 8.792 1.00 0.00 C ATOM 852 O ASN A 501 7.604 0.099 9.267 1.00 0.00 O ATOM 853 CB ASN A 501 6.335 1.622 11.116 1.00 0.00 C ATOM 854 CG ASN A 501 7.338 2.714 11.431 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.030 3.213 10.542 1.00 0.00 O ATOM 856 ND2 ASN A 501 7.423 3.091 12.701 1.00 0.00 N ATOM 0 H ASN A 501 3.827 2.086 9.249 1.00 0.00 H new ATOM 0 HA ASN A 501 5.963 2.698 9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.484 1.709 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.791 0.649 11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.081 3.821 12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 501 6.830 2.650 13.405 1.00 0.00 H new ATOM 863 N PRO A 502 6.333 0.655 7.494 1.00 0.00 N ATOM 864 CA PRO A 502 7.049 -0.209 6.550 1.00 0.00 C ATOM 865 C PRO A 502 8.455 0.299 6.251 1.00 0.00 C ATOM 866 O PRO A 502 8.726 1.496 6.346 1.00 0.00 O ATOM 867 CB PRO A 502 6.182 -0.156 5.290 1.00 0.00 C ATOM 868 CG PRO A 502 5.464 1.146 5.379 1.00 0.00 C ATOM 869 CD PRO A 502 5.230 1.390 6.845 1.00 0.00 C ATOM 0 HA PRO A 502 7.188 -1.215 6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.791 -0.211 4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.483 -0.992 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.056 1.949 4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.521 1.110 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.259 2.453 7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.256 1.018 7.164 1.00 0.00 H new ATOM 877 N GLU A 503 9.346 -0.619 5.889 1.00 0.00 N ATOM 878 CA GLU A 503 10.724 -0.263 5.575 1.00 0.00 C ATOM 879 C GLU A 503 10.833 0.281 4.154 1.00 0.00 C ATOM 880 O GLU A 503 9.947 0.065 3.327 1.00 0.00 O ATOM 881 CB GLU A 503 11.638 -1.479 5.739 1.00 0.00 C ATOM 882 CG GLU A 503 13.047 -1.126 6.185 1.00 0.00 C ATOM 883 CD GLU A 503 13.085 -0.527 7.577 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.158 -0.803 8.368 1.00 0.00 O ATOM 885 OE2 GLU A 503 14.041 0.218 7.877 1.00 0.00 O ATOM 0 H GLU A 503 9.138 -1.614 5.806 1.00 0.00 H new ATOM 0 HA GLU A 503 11.040 0.515 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.196 -2.160 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 503 11.690 -2.015 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 503 13.667 -2.022 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 503 13.482 -0.420 5.478 1.00 0.00 H new ATOM 892 N ARG A 504 11.924 0.987 3.877 1.00 0.00 N ATOM 893 CA ARG A 504 12.147 1.563 2.556 1.00 0.00 C ATOM 894 C ARG A 504 13.321 0.886 1.857 1.00 0.00 C ATOM 895 O ARG A 504 14.397 0.733 2.437 1.00 0.00 O ATOM 896 CB ARG A 504 12.404 3.067 2.669 1.00 0.00 C ATOM 897 CG ARG A 504 11.328 3.811 3.443 1.00 0.00 C ATOM 898 CD ARG A 504 10.012 3.835 2.684 1.00 0.00 C ATOM 899 NE ARG A 504 10.023 4.814 1.600 1.00 0.00 N ATOM 900 CZ ARG A 504 9.963 6.131 1.789 1.00 0.00 C ATOM 901 NH1 ARG A 504 9.889 6.629 3.017 1.00 0.00 N ATOM 902 NH2 ARG A 504 9.977 6.951 0.747 1.00 0.00 N ATOM 0 H ARG A 504 12.668 1.174 4.550 1.00 0.00 H new ATOM 0 HA ARG A 504 11.249 1.398 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.366 3.227 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.478 3.491 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 504 11.181 3.335 4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.657 4.832 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.811 2.845 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 504 9.200 4.067 3.373 1.00 0.00 H new ATOM 0 HE ARG A 504 10.080 4.469 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 504 9.878 6.002 3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 504 9.843 7.638 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 504 10.034 6.573 -0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 504 9.931 7.960 0.891 1.00 0.00 H new ATOM 916 N LYS A 505 13.108 0.483 0.609 1.00 0.00 N ATOM 917 CA LYS A 505 14.149 -0.177 -0.170 1.00 0.00 C ATOM 918 C LYS A 505 14.245 0.424 -1.569 1.00 0.00 C ATOM 919 O LYS A 505 13.237 0.819 -2.156 1.00 0.00 O ATOM 920 CB LYS A 505 13.870 -1.678 -0.266 1.00 0.00 C ATOM 921 CG LYS A 505 13.900 -2.389 1.077 1.00 0.00 C ATOM 922 CD LYS A 505 13.734 -3.892 0.915 1.00 0.00 C ATOM 923 CE LYS A 505 13.654 -4.591 2.262 1.00 0.00 C ATOM 924 NZ LYS A 505 13.232 -6.013 2.126 1.00 0.00 N ATOM 0 H LYS A 505 12.223 0.602 0.115 1.00 0.00 H new ATOM 0 HA LYS A 505 15.101 -0.023 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.893 -1.829 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.607 -2.135 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.843 -2.178 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.105 -2.000 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.831 -4.100 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.572 -4.293 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.626 -4.546 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 505 12.949 -4.063 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 13.581 -6.558 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.194 -6.065 2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 13.626 -6.410 1.249 1.00 0.00 H new ATOM 938 N MET A 506 15.462 0.491 -2.097 1.00 0.00 N ATOM 939 CA MET A 506 15.688 1.045 -3.427 1.00 0.00 C ATOM 940 C MET A 506 15.805 -0.066 -4.467 1.00 0.00 C ATOM 941 O MET A 506 16.829 -0.744 -4.552 1.00 0.00 O ATOM 942 CB MET A 506 16.954 1.903 -3.437 1.00 0.00 C ATOM 943 CG MET A 506 16.855 3.144 -2.565 1.00 0.00 C ATOM 944 SD MET A 506 18.308 4.204 -2.698 1.00 0.00 S ATOM 945 CE MET A 506 17.927 5.456 -1.475 1.00 0.00 C ATOM 0 H MET A 506 16.307 0.169 -1.625 1.00 0.00 H new ATOM 0 HA MET A 506 14.832 1.669 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.795 1.298 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.170 2.205 -4.462 1.00 0.00 H new ATOM 0 HG2 MET A 506 15.969 3.712 -2.847 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.723 2.843 -1.526 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.735 6.187 -1.439 1.00 0.00 H new ATOM 0 HE2 MET A 506 16.997 5.956 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.817 4.988 -0.497 1.00 0.00 H new ATOM 955 N ILE A 507 14.750 -0.244 -5.255 1.00 0.00 N ATOM 956 CA ILE A 507 14.735 -1.271 -6.291 1.00 0.00 C ATOM 957 C ILE A 507 14.497 -0.657 -7.666 1.00 0.00 C ATOM 958 O ILE A 507 13.516 0.056 -7.878 1.00 0.00 O ATOM 959 CB ILE A 507 13.647 -2.329 -6.016 1.00 0.00 C ATOM 960 CG1 ILE A 507 13.772 -2.861 -4.588 1.00 0.00 C ATOM 961 CG2 ILE A 507 13.747 -3.467 -7.021 1.00 0.00 C ATOM 962 CD1 ILE A 507 12.671 -3.825 -4.204 1.00 0.00 C ATOM 0 H ILE A 507 13.895 0.309 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 507 15.712 -1.754 -6.276 1.00 0.00 H new ATOM 0 HB ILE A 507 12.669 -1.859 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 507 14.735 -3.359 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 507 13.766 -2.021 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 507 12.972 -4.205 -6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 507 13.613 -3.075 -8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 507 14.727 -3.937 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 507 12.823 -4.162 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 507 11.706 -3.325 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 507 12.689 -4.684 -4.874 1.00 0.00 H new ATOM 974 N ASN A 508 15.401 -0.939 -8.600 1.00 0.00 N ATOM 975 CA ASN A 508 15.289 -0.413 -9.956 1.00 0.00 C ATOM 976 C ASN A 508 15.252 1.113 -9.946 1.00 0.00 C ATOM 977 O ASN A 508 14.478 1.731 -10.676 1.00 0.00 O ATOM 978 CB ASN A 508 14.033 -0.962 -10.635 1.00 0.00 C ATOM 979 CG ASN A 508 14.062 -2.471 -10.773 1.00 0.00 C ATOM 980 OD1 ASN A 508 15.120 -3.094 -10.686 1.00 0.00 O ATOM 981 ND2 ASN A 508 12.895 -3.068 -10.990 1.00 0.00 N ATOM 0 H ASN A 508 16.218 -1.528 -8.442 1.00 0.00 H new ATOM 0 HA ASN A 508 16.166 -0.733 -10.518 1.00 0.00 H new ATOM 0 HB2 ASN A 508 13.155 -0.670 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 508 13.931 -0.512 -11.622 1.00 0.00 H new ATOM 0 HD21 ASN A 508 12.852 -4.082 -11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 508 12.042 -2.512 -11.055 1.00 0.00 H new ATOM 988 N ASP A 509 16.095 1.713 -9.112 1.00 0.00 N ATOM 989 CA ASP A 509 16.159 3.166 -9.004 1.00 0.00 C ATOM 990 C ASP A 509 14.809 3.740 -8.587 1.00 0.00 C ATOM 991 O ASP A 509 14.423 4.826 -9.020 1.00 0.00 O ATOM 992 CB ASP A 509 16.598 3.779 -10.335 1.00 0.00 C ATOM 993 CG ASP A 509 18.011 3.381 -10.717 1.00 0.00 C ATOM 994 OD1 ASP A 509 18.757 2.915 -9.831 1.00 0.00 O ATOM 995 OD2 ASP A 509 18.370 3.536 -11.904 1.00 0.00 O ATOM 0 H ASP A 509 16.743 1.216 -8.501 1.00 0.00 H new ATOM 0 HA ASP A 509 16.893 3.416 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 509 15.910 3.466 -11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.534 4.865 -10.270 1.00 0.00 H new ATOM 1000 N LYS A 510 14.095 3.002 -7.743 1.00 0.00 N ATOM 1001 CA LYS A 510 12.787 3.434 -7.265 1.00 0.00 C ATOM 1002 C LYS A 510 12.600 3.074 -5.794 1.00 0.00 C ATOM 1003 O LYS A 510 13.242 2.155 -5.284 1.00 0.00 O ATOM 1004 CB LYS A 510 11.677 2.797 -8.103 1.00 0.00 C ATOM 1005 CG LYS A 510 11.669 3.256 -9.552 1.00 0.00 C ATOM 1006 CD LYS A 510 10.868 4.536 -9.726 1.00 0.00 C ATOM 1007 CE LYS A 510 11.772 5.757 -9.774 1.00 0.00 C ATOM 1008 NZ LYS A 510 12.649 5.753 -10.978 1.00 0.00 N ATOM 0 H LYS A 510 14.401 2.101 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 510 12.731 4.518 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.788 1.713 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.713 3.030 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.693 3.417 -9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.246 2.472 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.283 4.479 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.160 4.638 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.162 6.660 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 510 12.389 5.787 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 12.743 6.723 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 13.588 5.387 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.229 5.147 -11.711 1.00 0.00 H new ATOM 1022 N MET A 511 11.718 3.802 -5.118 1.00 0.00 N ATOM 1023 CA MET A 511 11.448 3.558 -3.706 1.00 0.00 C ATOM 1024 C MET A 511 10.320 2.545 -3.536 1.00 0.00 C ATOM 1025 O MET A 511 9.257 2.677 -4.142 1.00 0.00 O ATOM 1026 CB MET A 511 11.086 4.866 -3.001 1.00 0.00 C ATOM 1027 CG MET A 511 12.218 5.880 -2.983 1.00 0.00 C ATOM 1028 SD MET A 511 11.816 7.354 -2.027 1.00 0.00 S ATOM 1029 CE MET A 511 13.282 8.346 -2.301 1.00 0.00 C ATOM 0 H MET A 511 11.178 4.566 -5.525 1.00 0.00 H new ATOM 0 HA MET A 511 12.351 3.148 -3.254 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.221 5.308 -3.495 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.790 4.646 -1.975 1.00 0.00 H new ATOM 0 HG2 MET A 511 13.111 5.414 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.457 6.170 -4.006 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.184 9.294 -1.771 1.00 0.00 H new ATOM 0 HE2 MET A 511 14.157 7.812 -1.931 1.00 0.00 H new ATOM 0 HE3 MET A 511 13.398 8.537 -3.368 1.00 0.00 H new ATOM 1039 N HIS A 512 10.559 1.535 -2.706 1.00 0.00 N ATOM 1040 CA HIS A 512 9.563 0.499 -2.455 1.00 0.00 C ATOM 1041 C HIS A 512 9.422 0.229 -0.961 1.00 0.00 C ATOM 1042 O HIS A 512 10.289 0.598 -0.169 1.00 0.00 O ATOM 1043 CB HIS A 512 9.945 -0.792 -3.183 1.00 0.00 C ATOM 1044 CG HIS A 512 9.895 -0.677 -4.674 1.00 0.00 C ATOM 1045 ND1 HIS A 512 8.865 -0.831 -5.541 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 10.998 -0.371 -5.444 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 9.361 -0.617 -6.803 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 10.649 -0.341 -6.718 1.00 0.00 N flip ATOM 0 H HIS A 512 11.434 1.412 -2.196 1.00 0.00 H new ATOM 0 HA HIS A 512 8.604 0.853 -2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 512 10.951 -1.084 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.274 -1.590 -2.866 1.00 0.00 H new ATOM 0 HD1 HIS A 512 7.901 -1.063 -5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 512 11.992 -0.185 -5.065 1.00 0.00 H new ATOM 0 HE1 HIS A 512 8.789 -0.666 -7.718 1.00 0.00 H new ATOM 1057 N PHE A 513 8.324 -0.417 -0.583 1.00 0.00 N ATOM 1058 CA PHE A 513 8.069 -0.739 0.816 1.00 0.00 C ATOM 1059 C PHE A 513 8.165 -2.243 1.052 1.00 0.00 C ATOM 1060 O PHE A 513 7.741 -3.041 0.216 1.00 0.00 O ATOM 1061 CB PHE A 513 6.688 -0.232 1.235 1.00 0.00 C ATOM 1062 CG PHE A 513 6.557 1.263 1.187 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.006 2.045 2.240 1.00 0.00 C ATOM 1064 CD2 PHE A 513 5.985 1.887 0.090 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.887 3.421 2.199 1.00 0.00 C ATOM 1066 CE2 PHE A 513 5.863 3.263 0.044 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.315 4.031 1.100 1.00 0.00 C ATOM 0 H PHE A 513 7.596 -0.728 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 513 8.828 -0.244 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.934 -0.676 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.476 -0.575 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.454 1.573 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.631 1.292 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.241 4.019 3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.415 3.737 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.221 5.106 1.066 1.00 0.00 H new ATOM 1077 N SER A 514 8.726 -2.623 2.196 1.00 0.00 N ATOM 1078 CA SER A 514 8.877 -4.032 2.540 1.00 0.00 C ATOM 1079 C SER A 514 8.397 -4.301 3.962 1.00 0.00 C ATOM 1080 O SER A 514 8.637 -3.505 4.870 1.00 0.00 O ATOM 1081 CB SER A 514 10.339 -4.460 2.394 1.00 0.00 C ATOM 1082 OG SER A 514 10.485 -5.855 2.601 1.00 0.00 O ATOM 0 H SER A 514 9.083 -1.976 2.899 1.00 0.00 H new ATOM 0 HA SER A 514 8.263 -4.615 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.701 -4.197 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.954 -3.916 3.111 1.00 0.00 H new ATOM 0 HG SER A 514 10.884 -6.015 3.481 1.00 0.00 H new ATOM 1088 N LEU A 515 7.717 -5.427 4.149 1.00 0.00 N ATOM 1089 CA LEU A 515 7.203 -5.802 5.461 1.00 0.00 C ATOM 1090 C LEU A 515 7.324 -7.306 5.683 1.00 0.00 C ATOM 1091 O LEU A 515 7.102 -8.099 4.768 1.00 0.00 O ATOM 1092 CB LEU A 515 5.742 -5.364 5.603 1.00 0.00 C ATOM 1093 CG LEU A 515 5.502 -4.228 6.598 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.209 -3.497 6.271 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.469 -4.765 8.021 1.00 0.00 C ATOM 0 H LEU A 515 7.509 -6.096 3.408 1.00 0.00 H new ATOM 0 HA LEU A 515 7.801 -5.295 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.375 -5.054 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.148 -6.226 5.908 1.00 0.00 H new ATOM 0 HG LEU A 515 6.326 -3.519 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.054 -2.692 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.271 -3.080 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.373 -4.195 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.297 -3.943 8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.665 -5.495 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.421 -5.243 8.252 1.00 0.00 H new ATOM 1107 N LYS A 516 7.676 -7.692 6.905 1.00 0.00 N ATOM 1108 CA LYS A 516 7.826 -9.102 7.249 1.00 0.00 C ATOM 1109 C LYS A 516 6.847 -9.500 8.349 1.00 0.00 C ATOM 1110 O LYS A 516 6.823 -8.896 9.421 1.00 0.00 O ATOM 1111 CB LYS A 516 9.260 -9.389 7.699 1.00 0.00 C ATOM 1112 CG LYS A 516 9.571 -10.871 7.828 1.00 0.00 C ATOM 1113 CD LYS A 516 10.874 -11.104 8.575 1.00 0.00 C ATOM 1114 CE LYS A 516 12.074 -10.665 7.750 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.249 -11.555 7.962 1.00 0.00 N ATOM 0 H LYS A 516 7.863 -7.048 7.674 1.00 0.00 H new ATOM 0 HA LYS A 516 7.606 -9.693 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 516 9.952 -8.942 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 516 9.435 -8.904 8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 516 8.756 -11.371 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 516 9.634 -11.318 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 516 10.858 -10.556 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 516 10.969 -12.161 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.807 -10.662 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.341 -9.642 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.046 -11.222 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.520 -11.538 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.003 -12.527 7.686 1.00 0.00 H new ATOM 1129 N GLU A 517 6.040 -10.519 8.074 1.00 0.00 N ATOM 1130 CA GLU A 517 5.058 -10.998 9.040 1.00 0.00 C ATOM 1131 C GLU A 517 5.670 -12.044 9.965 1.00 0.00 C ATOM 1132 O GLU A 517 5.827 -11.749 11.169 1.00 0.00 O ATOM 1133 CB GLU A 517 3.846 -11.587 8.316 1.00 0.00 C ATOM 1134 CG GLU A 517 2.717 -11.992 9.250 1.00 0.00 C ATOM 1135 CD GLU A 517 2.035 -10.799 9.891 1.00 0.00 C ATOM 1136 OE1 GLU A 517 2.084 -9.699 9.301 1.00 0.00 O ATOM 1137 OE2 GLU A 517 1.452 -10.965 10.983 1.00 0.00 O ATOM 1138 OXT GLU A 517 5.987 -13.150 9.479 1.00 0.00 O ATOM 0 H GLU A 517 6.046 -11.029 7.191 1.00 0.00 H new ATOM 0 HA GLU A 517 4.735 -10.150 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 517 3.470 -10.856 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.163 -12.459 7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 517 1.980 -12.572 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.112 -12.643 10.030 1.00 0.00 H new TER 1145 GLU A 517