USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=20 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 510 LYS NZ :NH3+ 142:sc= 0.72 (180deg=-0.434) USER MOD Set 1.2: A 512 HIS :FLIP no HE2:sc= 0.417 F(o=-3.1,f=1.1) USER MOD Set 2.1: A 505 LYS NZ :NH3+ -115:sc= 0.0397 (180deg=-0.762) USER MOD Set 2.2: A 514 SER OG : rot -90:sc= 0.669 USER MOD Set 3.1: A 491 ASN : amide:sc= -0.0403 K(o=-0.04,f=-2.4) USER MOD Set 3.2: A 495 GLN : amide:sc= 0 K(o=-0.04,f=-1.1) USER MOD Set 4.1: A 479 THR OG1 : rot 45:sc= 0.977 USER MOD Set 4.2: A 482 THR OG1 : rot 170:sc= 0.874 USER MOD Set 5.1: A 469 THR OG1 : rot 86:sc= 1.08 USER MOD Set 5.2: A 470 THR OG1 : rot 180:sc= -0.28 USER MOD Set 5.3: A 471 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 5.4: A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 453 GLN :FLIP amide:sc= -0.443 F(o=-1.1,f=-0.44) 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 -59:sc= -0.292 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -123:sc= -2.27 (180deg=-5.56!) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 178:sc= 1.34 (180deg=1.28) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=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 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= -0.79 K(o=-0.79,f=-4.4!) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.28) USER MOD Single : A 506 MET CE :methyl -165:sc= -0.0607 (180deg=-0.376) USER MOD Single : A 508 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.7) USER MOD Single : A 516 LYS NZ :NH3+ 152:sc= 0.382 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -20.210 -0.261 2.389 1.00 0.00 N ATOM 2 CA ASP A 451 -19.096 0.705 2.575 1.00 0.00 C ATOM 3 C ASP A 451 -17.894 0.039 3.237 1.00 0.00 C ATOM 4 O ASP A 451 -17.885 -0.187 4.447 1.00 0.00 O ATOM 5 CB ASP A 451 -19.596 1.866 3.437 1.00 0.00 C ATOM 6 CG ASP A 451 -18.556 2.958 3.600 1.00 0.00 C ATOM 7 OD1 ASP A 451 -17.563 2.950 2.843 1.00 0.00 O ATOM 8 OD2 ASP A 451 -18.735 3.820 4.485 1.00 0.00 O ATOM 0 HA ASP A 451 -18.774 1.071 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -20.494 2.288 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -19.879 1.489 4.420 1.00 0.00 H new ATOM 12 N VAL A 452 -16.881 -0.272 2.435 1.00 0.00 N ATOM 13 CA VAL A 452 -15.674 -0.913 2.942 1.00 0.00 C ATOM 14 C VAL A 452 -14.502 0.064 2.968 1.00 0.00 C ATOM 15 O VAL A 452 -14.335 0.873 2.055 1.00 0.00 O ATOM 16 CB VAL A 452 -15.293 -2.139 2.090 1.00 0.00 C ATOM 17 CG1 VAL A 452 -14.965 -1.725 0.663 1.00 0.00 C ATOM 18 CG2 VAL A 452 -14.126 -2.886 2.719 1.00 0.00 C ATOM 0 H VAL A 452 -16.872 -0.090 1.431 1.00 0.00 H new ATOM 0 HA VAL A 452 -15.890 -1.240 3.959 1.00 0.00 H new ATOM 0 HB VAL A 452 -16.150 -2.812 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -14.699 -2.607 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -15.834 -1.243 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -14.127 -1.028 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -13.872 -3.748 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -13.264 -2.222 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -14.405 -3.223 3.717 1.00 0.00 H new ATOM 28 N GLN A 453 -13.694 -0.017 4.020 1.00 0.00 N ATOM 29 CA GLN A 453 -12.537 0.860 4.166 1.00 0.00 C ATOM 30 C GLN A 453 -11.238 0.070 4.047 1.00 0.00 C ATOM 31 O GLN A 453 -11.204 -1.132 4.307 1.00 0.00 O ATOM 32 CB GLN A 453 -12.587 1.584 5.512 1.00 0.00 C ATOM 33 CG GLN A 453 -13.872 2.363 5.738 1.00 0.00 C ATOM 34 CD GLN A 453 -14.120 3.402 4.662 1.00 0.00 C ATOM 35 OE1 GLN A 453 -15.339 3.428 4.134 1.00 0.00 O flip ATOM 36 NE2 GLN A 453 -13.228 4.173 4.310 1.00 0.00 N flip ATOM 0 H GLN A 453 -13.819 -0.681 4.784 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.567 1.598 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -12.470 0.853 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -11.741 2.268 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -14.712 1.670 5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -13.828 2.855 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -12.306 4.118 4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -13.411 4.867 3.586 1.00 0.00 H new ATOM 45 N VAL A 454 -10.170 0.755 3.652 1.00 0.00 N ATOM 46 CA VAL A 454 -8.867 0.118 3.498 1.00 0.00 C ATOM 47 C VAL A 454 -8.349 -0.400 4.836 1.00 0.00 C ATOM 48 O VAL A 454 -8.456 0.276 5.859 1.00 0.00 O ATOM 49 CB VAL A 454 -7.832 1.091 2.900 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.526 0.370 2.606 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.380 1.749 1.642 1.00 0.00 C ATOM 0 H VAL A 454 -10.181 1.751 3.433 1.00 0.00 H new ATOM 0 HA VAL A 454 -9.002 -0.720 2.814 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.632 1.872 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -5.809 1.074 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.125 -0.047 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.707 -0.434 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.635 2.432 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.613 0.983 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.286 2.304 1.887 1.00 0.00 H new ATOM 61 N THR A 455 -7.786 -1.604 4.820 1.00 0.00 N ATOM 62 CA THR A 455 -7.250 -2.214 6.031 1.00 0.00 C ATOM 63 C THR A 455 -5.734 -2.355 5.944 1.00 0.00 C ATOM 64 O THR A 455 -5.188 -2.649 4.881 1.00 0.00 O ATOM 65 CB THR A 455 -7.889 -3.584 6.263 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.301 -3.478 6.306 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.439 -4.244 7.548 1.00 0.00 C ATOM 0 H THR A 455 -7.689 -2.176 3.981 1.00 0.00 H new ATOM 0 HA THR A 455 -7.488 -1.563 6.872 1.00 0.00 H new ATOM 0 HB THR A 455 -7.565 -4.200 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.691 -4.365 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 455 -7.930 -5.212 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.358 -4.386 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.704 -3.611 8.395 1.00 0.00 H new ATOM 75 N GLU A 456 -5.060 -2.144 7.070 1.00 0.00 N ATOM 76 CA GLU A 456 -3.606 -2.248 7.122 1.00 0.00 C ATOM 77 C GLU A 456 -3.146 -3.649 6.730 1.00 0.00 C ATOM 78 O GLU A 456 -2.139 -3.813 6.042 1.00 0.00 O ATOM 79 CB GLU A 456 -3.100 -1.909 8.525 1.00 0.00 C ATOM 80 CG GLU A 456 -3.334 -0.461 8.924 1.00 0.00 C ATOM 81 CD GLU A 456 -2.835 -0.152 10.323 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.527 -1.106 11.068 1.00 0.00 O ATOM 83 OE2 GLU A 456 -2.752 1.044 10.672 1.00 0.00 O ATOM 0 H GLU A 456 -5.497 -1.900 7.959 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.190 -1.535 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.593 -2.560 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.033 -2.124 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -2.833 0.194 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -4.400 -0.240 8.866 1.00 0.00 H new ATOM 90 N ASP A 457 -3.890 -4.656 7.176 1.00 0.00 N ATOM 91 CA ASP A 457 -3.560 -6.044 6.876 1.00 0.00 C ATOM 92 C ASP A 457 -3.638 -6.313 5.377 1.00 0.00 C ATOM 93 O ASP A 457 -2.828 -7.059 4.827 1.00 0.00 O ATOM 94 CB ASP A 457 -4.503 -6.988 7.625 1.00 0.00 C ATOM 95 CG ASP A 457 -4.321 -6.915 9.128 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.278 -6.393 9.576 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.222 -7.380 9.858 1.00 0.00 O ATOM 0 H ASP A 457 -4.727 -4.536 7.747 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.537 -6.226 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.535 -6.741 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.330 -8.011 7.290 1.00 0.00 H new ATOM 102 N ALA A 458 -4.620 -5.704 4.720 1.00 0.00 N ATOM 103 CA ALA A 458 -4.805 -5.881 3.284 1.00 0.00 C ATOM 104 C ALA A 458 -3.556 -5.472 2.511 1.00 0.00 C ATOM 105 O ALA A 458 -3.067 -6.219 1.663 1.00 0.00 O ATOM 106 CB ALA A 458 -6.008 -5.082 2.806 1.00 0.00 C ATOM 0 H ALA A 458 -5.300 -5.083 5.159 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.985 -6.939 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.135 -5.223 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.903 -5.425 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.850 -4.024 3.017 1.00 0.00 H new ATOM 112 N VAL A 459 -3.044 -4.283 2.808 1.00 0.00 N ATOM 113 CA VAL A 459 -1.852 -3.775 2.139 1.00 0.00 C ATOM 114 C VAL A 459 -0.614 -4.569 2.544 1.00 0.00 C ATOM 115 O VAL A 459 0.278 -4.805 1.729 1.00 0.00 O ATOM 116 CB VAL A 459 -1.620 -2.286 2.458 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.474 -1.733 1.626 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.893 -1.487 2.227 1.00 0.00 C ATOM 0 H VAL A 459 -3.436 -3.653 3.508 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.018 -3.888 1.068 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.348 -2.196 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.326 -0.680 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.438 -2.288 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.711 -1.834 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.711 -0.437 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.198 -1.582 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.684 -1.868 2.873 1.00 0.00 H new ATOM 128 N ARG A 460 -0.566 -4.977 3.808 1.00 0.00 N ATOM 129 CA ARG A 460 0.563 -5.743 4.324 1.00 0.00 C ATOM 130 C ARG A 460 0.766 -7.029 3.528 1.00 0.00 C ATOM 131 O ARG A 460 1.898 -7.427 3.253 1.00 0.00 O ATOM 132 CB ARG A 460 0.347 -6.073 5.802 1.00 0.00 C ATOM 133 CG ARG A 460 1.499 -6.841 6.428 1.00 0.00 C ATOM 134 CD ARG A 460 1.232 -7.149 7.893 1.00 0.00 C ATOM 135 NE ARG A 460 2.366 -7.816 8.528 1.00 0.00 N ATOM 136 CZ ARG A 460 2.460 -8.031 9.838 1.00 0.00 C ATOM 137 NH1 ARG A 460 1.493 -7.632 10.655 1.00 0.00 N ATOM 138 NH2 ARG A 460 3.525 -8.647 10.334 1.00 0.00 N ATOM 0 H ARG A 460 -1.297 -4.790 4.495 1.00 0.00 H new ATOM 0 HA ARG A 460 1.459 -5.132 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.197 -5.146 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.567 -6.657 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.657 -7.771 5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.417 -6.260 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 460 1.013 -6.223 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.348 -7.781 7.975 1.00 0.00 H new ATOM 0 HE ARG A 460 3.130 -8.136 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.672 -7.158 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 460 1.571 -7.800 11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 460 4.272 -8.956 9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 460 3.597 -8.812 11.338 1.00 0.00 H new ATOM 152 N ARG A 461 -0.336 -7.677 3.164 1.00 0.00 N ATOM 153 CA ARG A 461 -0.277 -8.921 2.403 1.00 0.00 C ATOM 154 C ARG A 461 0.467 -8.725 1.085 1.00 0.00 C ATOM 155 O ARG A 461 1.257 -9.575 0.676 1.00 0.00 O ATOM 156 CB ARG A 461 -1.688 -9.445 2.132 1.00 0.00 C ATOM 157 CG ARG A 461 -2.396 -9.958 3.374 1.00 0.00 C ATOM 158 CD ARG A 461 -3.744 -10.574 3.033 1.00 0.00 C ATOM 159 NE ARG A 461 -4.602 -9.644 2.305 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.707 -10.006 1.657 1.00 0.00 C ATOM 161 NH1 ARG A 461 -6.091 -11.277 1.645 1.00 0.00 N ATOM 162 NH2 ARG A 461 -6.431 -9.096 1.020 1.00 0.00 N ATOM 0 H ARG A 461 -1.281 -7.362 3.384 1.00 0.00 H new ATOM 0 HA ARG A 461 0.268 -9.653 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.284 -8.647 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.633 -10.248 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.771 -10.700 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.537 -9.138 4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.591 -11.471 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.243 -10.885 3.951 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.339 -8.659 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -5.538 -11.981 2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -6.939 -11.549 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -6.141 -8.118 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -7.278 -9.374 0.524 1.00 0.00 H new ATOM 176 N TYR A 462 0.207 -7.603 0.423 1.00 0.00 N ATOM 177 CA TYR A 462 0.852 -7.301 -0.849 1.00 0.00 C ATOM 178 C TYR A 462 2.361 -7.155 -0.676 1.00 0.00 C ATOM 179 O TYR A 462 3.139 -7.630 -1.503 1.00 0.00 O ATOM 180 CB TYR A 462 0.269 -6.020 -1.450 1.00 0.00 C ATOM 181 CG TYR A 462 -1.148 -6.179 -1.954 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.401 -6.687 -3.223 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.232 -5.822 -1.162 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.694 -6.834 -3.687 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.528 -5.967 -1.620 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.753 -6.473 -2.882 1.00 0.00 C ATOM 187 OH TYR A 462 -5.042 -6.619 -3.341 1.00 0.00 O ATOM 0 H TYR A 462 -0.445 -6.888 0.746 1.00 0.00 H new ATOM 0 HA TYR A 462 0.662 -8.132 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.292 -5.232 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.904 -5.693 -2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.574 -6.971 -3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.059 -5.425 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -2.874 -7.230 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.360 -5.685 -0.992 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.671 -6.320 -2.651 1.00 0.00 H new ATOM 197 N LEU A 463 2.767 -6.495 0.403 1.00 0.00 N ATOM 198 CA LEU A 463 4.183 -6.287 0.683 1.00 0.00 C ATOM 199 C LEU A 463 4.874 -7.607 1.010 1.00 0.00 C ATOM 200 O LEU A 463 6.033 -7.817 0.655 1.00 0.00 O ATOM 201 CB LEU A 463 4.356 -5.306 1.844 1.00 0.00 C ATOM 202 CG LEU A 463 3.811 -3.901 1.588 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.716 -3.119 2.889 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.687 -3.165 0.585 1.00 0.00 C ATOM 0 H LEU A 463 2.136 -6.095 1.098 1.00 0.00 H new ATOM 0 HA LEU A 463 4.646 -5.868 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.861 -5.717 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.417 -5.230 2.081 1.00 0.00 H new ATOM 0 HG LEU A 463 2.809 -3.992 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.326 -2.122 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 463 3.048 -3.637 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.706 -3.037 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.285 -2.166 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.701 -3.085 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.704 -3.715 -0.356 1.00 0.00 H new ATOM 216 N THR A 464 4.153 -8.494 1.689 1.00 0.00 N ATOM 217 CA THR A 464 4.697 -9.794 2.064 1.00 0.00 C ATOM 218 C THR A 464 5.107 -10.588 0.827 1.00 0.00 C ATOM 219 O THR A 464 6.064 -11.362 0.864 1.00 0.00 O ATOM 220 CB THR A 464 3.672 -10.588 2.881 1.00 0.00 C ATOM 221 OG1 THR A 464 2.493 -9.829 3.085 1.00 0.00 O ATOM 222 CG2 THR A 464 4.188 -11.007 4.240 1.00 0.00 C ATOM 0 H THR A 464 3.191 -8.336 1.990 1.00 0.00 H new ATOM 0 HA THR A 464 5.583 -9.626 2.676 1.00 0.00 H new ATOM 0 HB THR A 464 3.467 -11.483 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.715 -9.001 3.560 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.414 -11.565 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 464 5.069 -11.637 4.116 1.00 0.00 H new ATOM 0 HG23 THR A 464 4.453 -10.121 4.817 1.00 0.00 H new ATOM 230 N ARG A 465 4.377 -10.391 -0.265 1.00 0.00 N ATOM 231 CA ARG A 465 4.666 -11.090 -1.512 1.00 0.00 C ATOM 232 C ARG A 465 5.922 -10.535 -2.171 1.00 0.00 C ATOM 233 O ARG A 465 6.930 -11.230 -2.297 1.00 0.00 O ATOM 234 CB ARG A 465 3.480 -10.975 -2.472 1.00 0.00 C ATOM 235 CG ARG A 465 2.218 -11.653 -1.963 1.00 0.00 C ATOM 236 CD ARG A 465 1.080 -11.534 -2.965 1.00 0.00 C ATOM 237 NE ARG A 465 1.320 -12.335 -4.163 1.00 0.00 N ATOM 238 CZ ARG A 465 0.549 -12.295 -5.247 1.00 0.00 C ATOM 239 NH1 ARG A 465 -0.509 -11.495 -5.289 1.00 0.00 N ATOM 240 NH2 ARG A 465 0.838 -13.057 -6.294 1.00 0.00 N ATOM 0 H ARG A 465 3.582 -9.754 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 465 4.836 -12.141 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 465 3.269 -9.921 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.756 -11.413 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.423 -12.705 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.919 -11.204 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 465 0.149 -11.853 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 465 0.953 -10.489 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 465 2.125 -12.961 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -0.735 -10.906 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -1.096 -11.469 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 465 1.651 -13.673 -6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 465 0.248 -13.027 -7.125 1.00 0.00 H new ATOM 254 N LYS A 466 5.852 -9.279 -2.587 1.00 0.00 N ATOM 255 CA LYS A 466 6.981 -8.620 -3.234 1.00 0.00 C ATOM 256 C LYS A 466 7.022 -7.136 -2.877 1.00 0.00 C ATOM 257 O LYS A 466 5.981 -6.503 -2.704 1.00 0.00 O ATOM 258 CB LYS A 466 6.897 -8.785 -4.753 1.00 0.00 C ATOM 259 CG LYS A 466 6.472 -10.176 -5.196 1.00 0.00 C ATOM 260 CD LYS A 466 7.577 -11.195 -4.969 1.00 0.00 C ATOM 261 CE LYS A 466 7.010 -12.577 -4.686 1.00 0.00 C ATOM 262 NZ LYS A 466 8.016 -13.469 -4.047 1.00 0.00 N ATOM 0 H LYS A 466 5.023 -8.693 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 466 7.896 -9.090 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 466 6.191 -8.056 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 466 7.870 -8.556 -5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 466 5.580 -10.477 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 466 6.205 -10.157 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 466 8.221 -11.237 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 466 8.200 -10.878 -4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 466 6.140 -12.486 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 466 6.666 -13.026 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 7.591 -14.401 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 8.836 -13.576 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 8.326 -13.053 -3.145 1.00 0.00 H new ATOM 276 N PRO A 467 8.231 -6.555 -2.765 1.00 0.00 N ATOM 277 CA PRO A 467 8.395 -5.137 -2.431 1.00 0.00 C ATOM 278 C PRO A 467 7.654 -4.228 -3.407 1.00 0.00 C ATOM 279 O PRO A 467 7.837 -4.326 -4.620 1.00 0.00 O ATOM 280 CB PRO A 467 9.907 -4.911 -2.536 1.00 0.00 C ATOM 281 CG PRO A 467 10.510 -6.262 -2.365 1.00 0.00 C ATOM 282 CD PRO A 467 9.527 -7.231 -2.957 1.00 0.00 C ATOM 0 HA PRO A 467 7.986 -4.902 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 467 10.176 -4.478 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.258 -4.222 -1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.474 -6.326 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.687 -6.480 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.731 -7.418 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.557 -8.196 -2.450 1.00 0.00 H new ATOM 290 N MET A 468 6.817 -3.347 -2.871 1.00 0.00 N ATOM 291 CA MET A 468 6.049 -2.423 -3.699 1.00 0.00 C ATOM 292 C MET A 468 6.190 -0.991 -3.195 1.00 0.00 C ATOM 293 O MET A 468 6.709 -0.754 -2.104 1.00 0.00 O ATOM 294 CB MET A 468 4.574 -2.828 -3.717 1.00 0.00 C ATOM 295 CG MET A 468 4.321 -4.176 -4.372 1.00 0.00 C ATOM 296 SD MET A 468 2.566 -4.517 -4.604 1.00 0.00 S ATOM 297 CE MET A 468 2.171 -3.374 -5.925 1.00 0.00 C ATOM 0 H MET A 468 6.653 -3.253 -1.869 1.00 0.00 H new ATOM 0 HA MET A 468 6.444 -2.470 -4.714 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.201 -2.855 -2.693 1.00 0.00 H new ATOM 0 HB3 MET A 468 4.003 -2.064 -4.244 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.824 -4.206 -5.339 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.762 -4.962 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.365 -2.713 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 468 3.052 -2.781 -6.168 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.855 -3.932 -6.806 1.00 0.00 H new ATOM 307 N THR A 469 5.724 -0.039 -3.997 1.00 0.00 N ATOM 308 CA THR A 469 5.797 1.372 -3.635 1.00 0.00 C ATOM 309 C THR A 469 4.405 1.993 -3.592 1.00 0.00 C ATOM 310 O THR A 469 3.444 1.423 -4.108 1.00 0.00 O ATOM 311 CB THR A 469 6.679 2.130 -4.628 1.00 0.00 C ATOM 312 OG1 THR A 469 6.844 3.479 -4.226 1.00 0.00 O ATOM 313 CG2 THR A 469 6.129 2.134 -6.038 1.00 0.00 C ATOM 0 H THR A 469 5.291 -0.219 -4.903 1.00 0.00 H new ATOM 0 HA THR A 469 6.238 1.446 -2.641 1.00 0.00 H new ATOM 0 HB THR A 469 7.631 1.600 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 469 7.589 3.543 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 469 6.804 2.689 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 469 6.039 1.109 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 469 5.147 2.608 -6.044 1.00 0.00 H new ATOM 321 N THR A 470 4.304 3.166 -2.973 1.00 0.00 N ATOM 322 CA THR A 470 3.028 3.866 -2.860 1.00 0.00 C ATOM 323 C THR A 470 2.373 4.041 -4.227 1.00 0.00 C ATOM 324 O THR A 470 1.166 3.847 -4.377 1.00 0.00 O ATOM 325 CB THR A 470 3.232 5.232 -2.203 1.00 0.00 C ATOM 326 OG1 THR A 470 4.285 5.940 -2.833 1.00 0.00 O ATOM 327 CG2 THR A 470 3.556 5.145 -0.727 1.00 0.00 C ATOM 0 H THR A 470 5.091 3.652 -2.542 1.00 0.00 H new ATOM 0 HA THR A 470 2.367 3.262 -2.238 1.00 0.00 H new ATOM 0 HB THR A 470 2.281 5.752 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.398 6.812 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.688 6.149 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.739 4.649 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.475 4.575 -0.589 1.00 0.00 H new ATOM 335 N LYS A 471 3.175 4.409 -5.220 1.00 0.00 N ATOM 336 CA LYS A 471 2.671 4.610 -6.574 1.00 0.00 C ATOM 337 C LYS A 471 2.048 3.328 -7.119 1.00 0.00 C ATOM 338 O LYS A 471 0.977 3.357 -7.726 1.00 0.00 O ATOM 339 CB LYS A 471 3.799 5.074 -7.497 1.00 0.00 C ATOM 340 CG LYS A 471 4.186 6.531 -7.299 1.00 0.00 C ATOM 341 CD LYS A 471 4.995 6.725 -6.026 1.00 0.00 C ATOM 342 CE LYS A 471 5.532 8.143 -5.918 1.00 0.00 C ATOM 343 NZ LYS A 471 5.462 8.658 -4.522 1.00 0.00 N ATOM 0 H LYS A 471 4.176 4.574 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 471 1.901 5.380 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 471 4.675 4.448 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.494 4.925 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 471 4.766 6.874 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.286 7.145 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 471 4.371 6.504 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 471 5.825 6.018 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 471 6.566 8.167 -6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.961 8.798 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.868 9.615 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.469 8.691 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.999 8.028 -3.892 1.00 0.00 H new ATOM 357 N ASP A 472 2.725 2.206 -6.900 1.00 0.00 N ATOM 358 CA ASP A 472 2.236 0.914 -7.370 1.00 0.00 C ATOM 359 C ASP A 472 0.975 0.502 -6.618 1.00 0.00 C ATOM 360 O ASP A 472 0.050 -0.064 -7.201 1.00 0.00 O ATOM 361 CB ASP A 472 3.317 -0.156 -7.203 1.00 0.00 C ATOM 362 CG ASP A 472 4.506 0.075 -8.115 1.00 0.00 C ATOM 363 OD1 ASP A 472 4.379 0.874 -9.067 1.00 0.00 O ATOM 364 OD2 ASP A 472 5.565 -0.543 -7.877 1.00 0.00 O ATOM 0 H ASP A 472 3.613 2.165 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 472 1.990 1.010 -8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.655 -0.169 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.889 -1.137 -7.411 1.00 0.00 H new ATOM 369 N LEU A 473 0.947 0.788 -5.322 1.00 0.00 N ATOM 370 CA LEU A 473 -0.200 0.447 -4.488 1.00 0.00 C ATOM 371 C LEU A 473 -1.425 1.266 -4.883 1.00 0.00 C ATOM 372 O LEU A 473 -2.543 0.752 -4.919 1.00 0.00 O ATOM 373 CB LEU A 473 0.128 0.682 -3.013 1.00 0.00 C ATOM 374 CG LEU A 473 1.238 -0.205 -2.447 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.495 0.128 -0.986 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.877 -1.674 -2.606 1.00 0.00 C ATOM 0 H LEU A 473 1.705 1.255 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.426 -0.608 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.415 1.725 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -0.777 0.525 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 473 2.153 -0.013 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.288 -0.513 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.798 1.172 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.584 -0.035 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.677 -2.292 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.050 -1.881 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.744 -1.904 -3.663 1.00 0.00 H new ATOM 388 N LEU A 474 -1.206 2.543 -5.178 1.00 0.00 N ATOM 389 CA LEU A 474 -2.292 3.435 -5.569 1.00 0.00 C ATOM 390 C LEU A 474 -2.999 2.917 -6.818 1.00 0.00 C ATOM 391 O LEU A 474 -4.228 2.908 -6.889 1.00 0.00 O ATOM 392 CB LEU A 474 -1.755 4.845 -5.820 1.00 0.00 C ATOM 393 CG LEU A 474 -2.778 5.970 -5.649 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.002 5.715 -6.515 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.176 6.108 -4.186 1.00 0.00 C ATOM 0 H LEU A 474 -0.286 2.984 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.014 3.468 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -0.922 5.026 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.355 4.890 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 474 -2.320 6.905 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -4.718 6.525 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -3.703 5.665 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -4.463 4.771 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -3.904 6.912 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -3.616 5.173 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -2.293 6.338 -3.589 1.00 0.00 H new ATOM 407 N LYS A 475 -2.215 2.487 -7.801 1.00 0.00 N ATOM 408 CA LYS A 475 -2.767 1.969 -9.047 1.00 0.00 C ATOM 409 C LYS A 475 -3.272 0.540 -8.867 1.00 0.00 C ATOM 410 O LYS A 475 -4.271 0.144 -9.466 1.00 0.00 O ATOM 411 CB LYS A 475 -1.712 2.015 -10.155 1.00 0.00 C ATOM 412 CG LYS A 475 -0.525 1.099 -9.905 1.00 0.00 C ATOM 413 CD LYS A 475 0.542 1.266 -10.975 1.00 0.00 C ATOM 414 CE LYS A 475 1.583 0.160 -10.901 1.00 0.00 C ATOM 415 NZ LYS A 475 2.079 -0.227 -12.250 1.00 0.00 N ATOM 0 H LYS A 475 -1.196 2.487 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.610 2.599 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.179 1.741 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.354 3.039 -10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -0.097 1.315 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -0.862 0.063 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 475 0.075 1.262 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 475 1.029 2.234 -10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 475 2.421 0.491 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 475 1.152 -0.712 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 2.787 -0.983 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 1.284 -0.567 -12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 2.513 0.598 -12.710 1.00 0.00 H new ATOM 429 N LYS A 476 -2.573 -0.228 -8.037 1.00 0.00 N ATOM 430 CA LYS A 476 -2.950 -1.613 -7.778 1.00 0.00 C ATOM 431 C LYS A 476 -4.348 -1.695 -7.173 1.00 0.00 C ATOM 432 O LYS A 476 -5.126 -2.588 -7.504 1.00 0.00 O ATOM 433 CB LYS A 476 -1.937 -2.272 -6.840 1.00 0.00 C ATOM 434 CG LYS A 476 -2.215 -3.744 -6.582 1.00 0.00 C ATOM 435 CD LYS A 476 -1.137 -4.370 -5.712 1.00 0.00 C ATOM 436 CE LYS A 476 -1.131 -3.770 -4.315 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.502 -3.689 -3.740 1.00 0.00 N ATOM 0 H LYS A 476 -1.743 0.085 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 476 -2.955 -2.145 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -0.939 -2.168 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -1.935 -1.739 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -3.185 -3.853 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -2.273 -4.276 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -1.300 -5.446 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -0.162 -4.223 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -0.499 -4.373 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.692 -2.773 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.451 -3.306 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.089 -3.065 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -2.924 -4.639 -3.714 1.00 0.00 H new ATOM 451 N PHE A 477 -4.659 -0.757 -6.284 1.00 0.00 N ATOM 452 CA PHE A 477 -5.963 -0.725 -5.632 1.00 0.00 C ATOM 453 C PHE A 477 -6.542 0.687 -5.641 1.00 0.00 C ATOM 454 O PHE A 477 -6.770 1.283 -4.588 1.00 0.00 O ATOM 455 CB PHE A 477 -5.848 -1.237 -4.194 1.00 0.00 C ATOM 456 CG PHE A 477 -7.175 -1.452 -3.525 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.879 -2.631 -3.715 1.00 0.00 C ATOM 458 CD2 PHE A 477 -7.719 -0.476 -2.706 1.00 0.00 C ATOM 459 CE1 PHE A 477 -9.100 -2.832 -3.100 1.00 0.00 C ATOM 460 CE2 PHE A 477 -8.940 -0.672 -2.088 1.00 0.00 C ATOM 461 CZ PHE A 477 -9.631 -1.851 -2.286 1.00 0.00 C ATOM 0 H PHE A 477 -4.026 -0.010 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 477 -6.638 -1.376 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.294 -2.176 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -5.267 -0.525 -3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -7.468 -3.401 -4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -7.183 0.448 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.638 -3.755 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -9.353 0.096 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 477 -10.585 -2.006 -1.805 1.00 0.00 H new ATOM 471 N GLN A 478 -6.777 1.217 -6.836 1.00 0.00 N ATOM 472 CA GLN A 478 -7.329 2.559 -6.981 1.00 0.00 C ATOM 473 C GLN A 478 -8.714 2.649 -6.347 1.00 0.00 C ATOM 474 O GLN A 478 -9.036 3.627 -5.673 1.00 0.00 O ATOM 475 CB GLN A 478 -7.408 2.944 -8.460 1.00 0.00 C ATOM 476 CG GLN A 478 -6.050 3.038 -9.137 1.00 0.00 C ATOM 477 CD GLN A 478 -6.148 3.507 -10.575 1.00 0.00 C ATOM 478 OE1 GLN A 478 -6.308 4.698 -10.843 1.00 0.00 O ATOM 479 NE2 GLN A 478 -6.052 2.570 -11.511 1.00 0.00 N ATOM 0 H GLN A 478 -6.594 0.738 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 478 -6.666 3.255 -6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -8.017 2.209 -8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.917 3.904 -8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -5.415 3.725 -8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -5.566 2.062 -9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -5.920 1.594 -11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.111 2.826 -12.497 1.00 0.00 H new ATOM 488 N THR A 479 -9.528 1.621 -6.568 1.00 0.00 N ATOM 489 CA THR A 479 -10.880 1.583 -6.018 1.00 0.00 C ATOM 490 C THR A 479 -11.603 0.308 -6.441 1.00 0.00 C ATOM 491 O THR A 479 -12.457 0.332 -7.327 1.00 0.00 O ATOM 492 CB THR A 479 -11.675 2.809 -6.472 1.00 0.00 C ATOM 493 OG1 THR A 479 -13.037 2.689 -6.099 1.00 0.00 O ATOM 494 CG2 THR A 479 -11.627 3.032 -7.969 1.00 0.00 C ATOM 0 H THR A 479 -9.276 0.804 -7.124 1.00 0.00 H new ATOM 0 HA THR A 479 -10.803 1.593 -4.931 1.00 0.00 H new ATOM 0 HB THR A 479 -11.204 3.659 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 479 -13.096 2.376 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 479 -12.211 3.917 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 479 -10.593 3.177 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 479 -12.043 2.163 -8.480 1.00 0.00 H new ATOM 502 N LYS A 480 -11.255 -0.804 -5.802 1.00 0.00 N ATOM 503 CA LYS A 480 -11.872 -2.088 -6.113 1.00 0.00 C ATOM 504 C LYS A 480 -12.905 -2.467 -5.056 1.00 0.00 C ATOM 505 O LYS A 480 -12.556 -2.781 -3.918 1.00 0.00 O ATOM 506 CB LYS A 480 -10.805 -3.179 -6.215 1.00 0.00 C ATOM 507 CG LYS A 480 -9.851 -2.990 -7.382 1.00 0.00 C ATOM 508 CD LYS A 480 -8.892 -4.162 -7.513 1.00 0.00 C ATOM 509 CE LYS A 480 -7.881 -3.934 -8.626 1.00 0.00 C ATOM 510 NZ LYS A 480 -7.214 -5.199 -9.039 1.00 0.00 N ATOM 0 H LYS A 480 -10.550 -0.842 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.380 -1.995 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.232 -3.203 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.296 -4.148 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -10.421 -2.880 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.285 -2.069 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.368 -4.312 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -9.455 -5.074 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.382 -3.491 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -7.129 -3.219 -8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -6.533 -5.000 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -6.714 -5.610 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -7.929 -5.872 -9.382 1.00 0.00 H new ATOM 524 N LYS A 481 -14.177 -2.436 -5.441 1.00 0.00 N ATOM 525 CA LYS A 481 -15.263 -2.777 -4.528 1.00 0.00 C ATOM 526 C LYS A 481 -15.237 -1.889 -3.286 1.00 0.00 C ATOM 527 O LYS A 481 -15.746 -2.267 -2.231 1.00 0.00 O ATOM 528 CB LYS A 481 -15.167 -4.247 -4.117 1.00 0.00 C ATOM 529 CG LYS A 481 -16.435 -4.782 -3.474 1.00 0.00 C ATOM 530 CD LYS A 481 -16.122 -5.822 -2.411 1.00 0.00 C ATOM 531 CE LYS A 481 -17.390 -6.374 -1.780 1.00 0.00 C ATOM 532 NZ LYS A 481 -17.229 -7.792 -1.357 1.00 0.00 N ATOM 0 H LYS A 481 -14.481 -2.178 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.205 -2.610 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.934 -4.847 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -14.337 -4.368 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.993 -3.959 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.075 -5.222 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -15.551 -6.637 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -15.494 -5.377 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.660 -5.766 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.212 -6.299 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -18.116 -8.130 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -16.997 -8.377 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.462 -7.861 -0.658 1.00 0.00 H new ATOM 546 N THR A 482 -14.642 -0.708 -3.417 1.00 0.00 N ATOM 547 CA THR A 482 -14.553 0.230 -2.304 1.00 0.00 C ATOM 548 C THR A 482 -15.669 1.267 -2.375 1.00 0.00 C ATOM 549 O THR A 482 -16.190 1.704 -1.349 1.00 0.00 O ATOM 550 CB THR A 482 -13.192 0.927 -2.305 1.00 0.00 C ATOM 551 OG1 THR A 482 -13.072 1.789 -3.423 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.026 -0.036 -2.341 1.00 0.00 C ATOM 0 H THR A 482 -14.215 -0.378 -4.282 1.00 0.00 H new ATOM 0 HA THR A 482 -14.664 -0.333 -1.377 1.00 0.00 H new ATOM 0 HB THR A 482 -13.152 1.485 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.270 2.344 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.091 0.524 -2.340 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.062 -0.684 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.084 -0.644 -3.244 1.00 0.00 H new ATOM 560 N GLY A 483 -16.030 1.657 -3.593 1.00 0.00 N ATOM 561 CA GLY A 483 -17.082 2.640 -3.775 1.00 0.00 C ATOM 562 C GLY A 483 -16.687 4.015 -3.268 1.00 0.00 C ATOM 563 O GLY A 483 -17.547 4.836 -2.950 1.00 0.00 O ATOM 0 H GLY A 483 -15.613 1.310 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -17.335 2.705 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.979 2.308 -3.253 1.00 0.00 H new ATOM 567 N LEU A 484 -15.384 4.266 -3.193 1.00 0.00 N ATOM 568 CA LEU A 484 -14.878 5.550 -2.721 1.00 0.00 C ATOM 569 C LEU A 484 -14.038 6.231 -3.796 1.00 0.00 C ATOM 570 O LEU A 484 -13.391 5.567 -4.606 1.00 0.00 O ATOM 571 CB LEU A 484 -14.046 5.359 -1.452 1.00 0.00 C ATOM 572 CG LEU A 484 -14.744 4.591 -0.328 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.779 4.329 0.818 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.962 5.358 0.165 1.00 0.00 C ATOM 0 H LEU A 484 -14.659 3.597 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 484 -15.732 6.188 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -13.128 4.834 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -13.756 6.340 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 484 -15.078 3.631 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -14.293 3.782 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.937 3.739 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.415 5.278 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -16.446 4.797 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -15.650 6.332 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -16.663 5.495 -0.658 1.00 0.00 H new ATOM 586 N SER A 485 -14.051 7.560 -3.798 1.00 0.00 N ATOM 587 CA SER A 485 -13.289 8.331 -4.774 1.00 0.00 C ATOM 588 C SER A 485 -11.800 8.017 -4.670 1.00 0.00 C ATOM 589 O SER A 485 -11.304 7.660 -3.602 1.00 0.00 O ATOM 590 CB SER A 485 -13.523 9.829 -4.568 1.00 0.00 C ATOM 591 OG SER A 485 -14.901 10.147 -4.651 1.00 0.00 O ATOM 0 H SER A 485 -14.581 8.126 -3.135 1.00 0.00 H new ATOM 0 HA SER A 485 -13.633 8.052 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 485 -13.135 10.130 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.971 10.393 -5.320 1.00 0.00 H new ATOM 0 HG SER A 485 -15.023 11.110 -4.514 1.00 0.00 H new ATOM 597 N SER A 486 -11.093 8.153 -5.787 1.00 0.00 N ATOM 598 CA SER A 486 -9.660 7.884 -5.822 1.00 0.00 C ATOM 599 C SER A 486 -8.912 8.784 -4.843 1.00 0.00 C ATOM 600 O SER A 486 -7.949 8.358 -4.205 1.00 0.00 O ATOM 601 CB SER A 486 -9.116 8.087 -7.237 1.00 0.00 C ATOM 602 OG SER A 486 -7.767 7.662 -7.331 1.00 0.00 O ATOM 0 H SER A 486 -11.489 8.448 -6.680 1.00 0.00 H new ATOM 0 HA SER A 486 -9.504 6.847 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 486 -9.726 7.530 -7.948 1.00 0.00 H new ATOM 0 HB3 SER A 486 -9.189 9.140 -7.510 1.00 0.00 H new ATOM 0 HG SER A 486 -7.443 7.801 -8.246 1.00 0.00 H new ATOM 608 N GLU A 487 -9.360 10.030 -4.731 1.00 0.00 N ATOM 609 CA GLU A 487 -8.732 10.990 -3.830 1.00 0.00 C ATOM 610 C GLU A 487 -8.840 10.528 -2.381 1.00 0.00 C ATOM 611 O GLU A 487 -7.895 10.662 -1.604 1.00 0.00 O ATOM 612 CB GLU A 487 -9.379 12.367 -3.988 1.00 0.00 C ATOM 613 CG GLU A 487 -8.695 13.457 -3.178 1.00 0.00 C ATOM 614 CD GLU A 487 -9.410 14.792 -3.271 1.00 0.00 C ATOM 615 OE1 GLU A 487 -10.466 14.856 -3.935 1.00 0.00 O ATOM 616 OE2 GLU A 487 -8.911 15.773 -2.681 1.00 0.00 O ATOM 0 H GLU A 487 -10.155 10.399 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.676 11.060 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -9.366 12.647 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.425 12.305 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.643 13.149 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.669 13.574 -3.527 1.00 0.00 H new ATOM 623 N GLN A 488 -9.999 9.983 -2.023 1.00 0.00 N ATOM 624 CA GLN A 488 -10.230 9.502 -0.666 1.00 0.00 C ATOM 625 C GLN A 488 -9.279 8.358 -0.325 1.00 0.00 C ATOM 626 O GLN A 488 -8.775 8.270 0.795 1.00 0.00 O ATOM 627 CB GLN A 488 -11.679 9.040 -0.505 1.00 0.00 C ATOM 628 CG GLN A 488 -12.695 10.160 -0.658 1.00 0.00 C ATOM 629 CD GLN A 488 -14.125 9.669 -0.540 1.00 0.00 C ATOM 630 OE1 GLN A 488 -14.389 8.469 -0.607 1.00 0.00 O ATOM 631 NE2 GLN A 488 -15.057 10.599 -0.364 1.00 0.00 N ATOM 0 H GLN A 488 -10.792 9.864 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 488 -10.040 10.326 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.889 8.267 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.799 8.583 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -12.511 10.919 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.558 10.640 -1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -14.793 11.583 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -16.037 10.329 -0.279 1.00 0.00 H new ATOM 640 N THR A 489 -9.039 7.485 -1.297 1.00 0.00 N ATOM 641 CA THR A 489 -8.149 6.347 -1.100 1.00 0.00 C ATOM 642 C THR A 489 -6.725 6.812 -0.817 1.00 0.00 C ATOM 643 O THR A 489 -6.014 6.212 -0.011 1.00 0.00 O ATOM 644 CB THR A 489 -8.167 5.441 -2.332 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.491 5.052 -2.650 1.00 0.00 O ATOM 646 CG2 THR A 489 -7.347 4.180 -2.159 1.00 0.00 C ATOM 0 H THR A 489 -9.448 7.544 -2.229 1.00 0.00 H new ATOM 0 HA THR A 489 -8.505 5.784 -0.238 1.00 0.00 H new ATOM 0 HB THR A 489 -7.727 6.035 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.481 4.474 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 489 -7.402 3.582 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 489 -6.308 4.446 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.739 3.603 -1.321 1.00 0.00 H new ATOM 654 N VAL A 490 -6.314 7.884 -1.486 1.00 0.00 N ATOM 655 CA VAL A 490 -4.974 8.429 -1.307 1.00 0.00 C ATOM 656 C VAL A 490 -4.756 8.892 0.130 1.00 0.00 C ATOM 657 O VAL A 490 -3.715 8.621 0.729 1.00 0.00 O ATOM 658 CB VAL A 490 -4.717 9.611 -2.261 1.00 0.00 C ATOM 659 CG1 VAL A 490 -3.267 10.065 -2.175 1.00 0.00 C ATOM 660 CG2 VAL A 490 -5.082 9.234 -3.688 1.00 0.00 C ATOM 0 H VAL A 490 -6.890 8.392 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 490 -4.273 7.627 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 490 -5.351 10.444 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -3.106 10.900 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -3.044 10.380 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -2.610 9.240 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -4.894 10.081 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -4.477 8.385 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -6.137 8.965 -3.735 1.00 0.00 H new ATOM 670 N ASN A 491 -5.743 9.594 0.676 1.00 0.00 N ATOM 671 CA ASN A 491 -5.659 10.096 2.043 1.00 0.00 C ATOM 672 C ASN A 491 -5.489 8.951 3.036 1.00 0.00 C ATOM 673 O ASN A 491 -4.622 8.996 3.908 1.00 0.00 O ATOM 674 CB ASN A 491 -6.910 10.905 2.389 1.00 0.00 C ATOM 675 CG ASN A 491 -6.750 11.696 3.672 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.699 11.659 4.312 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.797 12.418 4.056 1.00 0.00 N ATOM 0 H ASN A 491 -6.610 9.828 0.193 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.785 10.744 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.136 11.588 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.761 10.230 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.749 12.971 4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.649 12.420 3.495 1.00 0.00 H new ATOM 684 N VAL A 492 -6.322 7.925 2.897 1.00 0.00 N ATOM 685 CA VAL A 492 -6.263 6.768 3.782 1.00 0.00 C ATOM 686 C VAL A 492 -5.032 5.916 3.492 1.00 0.00 C ATOM 687 O VAL A 492 -4.340 5.474 4.409 1.00 0.00 O ATOM 688 CB VAL A 492 -7.523 5.892 3.646 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.519 4.780 4.685 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.779 6.741 3.769 1.00 0.00 C ATOM 0 H VAL A 492 -7.046 7.871 2.180 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.204 7.152 4.800 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.517 5.432 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.417 4.173 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.638 4.154 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.499 5.216 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.659 6.105 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.793 7.231 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.787 7.496 2.982 1.00 0.00 H new ATOM 700 N LEU A 493 -4.765 5.689 2.210 1.00 0.00 N ATOM 701 CA LEU A 493 -3.618 4.889 1.797 1.00 0.00 C ATOM 702 C LEU A 493 -2.314 5.507 2.291 1.00 0.00 C ATOM 703 O LEU A 493 -1.383 4.796 2.670 1.00 0.00 O ATOM 704 CB LEU A 493 -3.588 4.753 0.273 1.00 0.00 C ATOM 705 CG LEU A 493 -2.482 3.849 -0.275 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.986 3.049 -1.466 1.00 0.00 C ATOM 707 CD2 LEU A 493 -1.265 4.675 -0.663 1.00 0.00 C ATOM 0 H LEU A 493 -5.328 6.048 1.439 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.719 3.899 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.551 4.367 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.474 5.746 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.189 3.149 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.185 2.412 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.828 2.429 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.307 3.731 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.487 4.017 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -1.545 5.397 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.889 5.203 0.213 1.00 0.00 H new ATOM 719 N ALA A 494 -2.252 6.834 2.284 1.00 0.00 N ATOM 720 CA ALA A 494 -1.061 7.544 2.731 1.00 0.00 C ATOM 721 C ALA A 494 -0.937 7.506 4.251 1.00 0.00 C ATOM 722 O ALA A 494 0.166 7.431 4.793 1.00 0.00 O ATOM 723 CB ALA A 494 -1.088 8.983 2.238 1.00 0.00 C ATOM 0 H ALA A 494 -3.013 7.439 1.974 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.190 7.043 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.192 9.501 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.121 8.994 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.971 9.486 2.632 1.00 0.00 H new ATOM 729 N GLN A 495 -2.076 7.560 4.932 1.00 0.00 N ATOM 730 CA GLN A 495 -2.099 7.534 6.390 1.00 0.00 C ATOM 731 C GLN A 495 -1.974 6.108 6.920 1.00 0.00 C ATOM 732 O GLN A 495 -1.486 5.890 8.028 1.00 0.00 O ATOM 733 CB GLN A 495 -3.389 8.171 6.911 1.00 0.00 C ATOM 734 CG GLN A 495 -3.488 9.662 6.632 1.00 0.00 C ATOM 735 CD GLN A 495 -4.814 10.250 7.072 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.789 9.527 7.277 1.00 0.00 O ATOM 737 NE2 GLN A 495 -4.856 11.569 7.221 1.00 0.00 N ATOM 0 H GLN A 495 -2.997 7.622 4.497 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.244 8.108 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.242 7.667 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.457 8.006 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.677 10.179 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.353 9.838 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.023 12.129 7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.721 12.022 7.516 1.00 0.00 H new ATOM 746 N ILE A 496 -2.423 5.141 6.126 1.00 0.00 N ATOM 747 CA ILE A 496 -2.363 3.740 6.525 1.00 0.00 C ATOM 748 C ILE A 496 -0.955 3.177 6.353 1.00 0.00 C ATOM 749 O ILE A 496 -0.435 2.491 7.233 1.00 0.00 O ATOM 750 CB ILE A 496 -3.378 2.887 5.724 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.865 1.709 6.569 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.787 2.391 4.409 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.284 1.287 6.256 1.00 0.00 C ATOM 0 H ILE A 496 -2.831 5.302 5.205 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.627 3.692 7.581 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.227 3.526 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.199 0.860 6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.798 1.976 7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.530 1.797 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.498 3.244 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.910 1.777 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.563 0.447 6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.961 2.122 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.352 0.988 5.210 1.00 0.00 H new ATOM 765 N LEU A 497 -0.348 3.472 5.210 1.00 0.00 N ATOM 766 CA LEU A 497 0.999 2.996 4.909 1.00 0.00 C ATOM 767 C LEU A 497 1.994 3.421 5.986 1.00 0.00 C ATOM 768 O LEU A 497 2.792 2.612 6.459 1.00 0.00 O ATOM 769 CB LEU A 497 1.455 3.520 3.546 1.00 0.00 C ATOM 770 CG LEU A 497 0.801 2.845 2.339 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.143 3.593 1.060 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.237 1.391 2.242 1.00 0.00 C ATOM 0 H LEU A 497 -0.767 4.040 4.474 1.00 0.00 H new ATOM 0 HA LEU A 497 0.968 1.907 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.251 4.590 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.535 3.397 3.470 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.280 2.871 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.669 3.099 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.781 4.619 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.224 3.598 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.763 0.926 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.320 1.343 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.941 0.861 3.147 1.00 0.00 H new ATOM 784 N LYS A 498 1.944 4.693 6.367 1.00 0.00 N ATOM 785 CA LYS A 498 2.846 5.220 7.385 1.00 0.00 C ATOM 786 C LYS A 498 2.683 4.469 8.703 1.00 0.00 C ATOM 787 O LYS A 498 3.660 4.207 9.404 1.00 0.00 O ATOM 788 CB LYS A 498 2.593 6.713 7.600 1.00 0.00 C ATOM 789 CG LYS A 498 1.186 7.030 8.079 1.00 0.00 C ATOM 790 CD LYS A 498 0.975 8.526 8.238 1.00 0.00 C ATOM 791 CE LYS A 498 -0.303 8.830 9.003 1.00 0.00 C ATOM 792 NZ LYS A 498 -0.067 8.906 10.472 1.00 0.00 N ATOM 0 H LYS A 498 1.290 5.377 5.987 1.00 0.00 H new ATOM 0 HA LYS A 498 3.868 5.079 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 498 3.310 7.093 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.777 7.242 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.461 6.633 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.004 6.533 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.826 8.961 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 498 0.932 8.995 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 498 -0.720 9.775 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 498 -1.044 8.058 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.963 9.115 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.307 7.997 10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 0.620 9.660 10.675 1.00 0.00 H new ATOM 806 N ARG A 499 1.443 4.125 9.035 1.00 0.00 N ATOM 807 CA ARG A 499 1.155 3.404 10.270 1.00 0.00 C ATOM 808 C ARG A 499 1.768 2.007 10.244 1.00 0.00 C ATOM 809 O ARG A 499 2.272 1.521 11.256 1.00 0.00 O ATOM 810 CB ARG A 499 -0.355 3.307 10.490 1.00 0.00 C ATOM 811 CG ARG A 499 -0.999 4.627 10.882 1.00 0.00 C ATOM 812 CD ARG A 499 -2.492 4.470 11.119 1.00 0.00 C ATOM 813 NE ARG A 499 -3.155 5.758 11.312 1.00 0.00 N ATOM 814 CZ ARG A 499 -4.362 5.896 11.855 1.00 0.00 C ATOM 815 NH1 ARG A 499 -5.040 4.830 12.262 1.00 0.00 N ATOM 816 NH2 ARG A 499 -4.892 7.104 11.994 1.00 0.00 N ATOM 0 H ARG A 499 0.622 4.334 8.467 1.00 0.00 H new ATOM 0 HA ARG A 499 1.600 3.960 11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.824 2.941 9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.554 2.570 11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -0.525 5.010 11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.830 5.363 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -2.941 3.955 10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.656 3.843 11.996 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.664 6.600 11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.636 3.899 12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -5.965 4.942 12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.374 7.927 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.817 7.210 12.410 1.00 0.00 H new ATOM 830 N LEU A 500 1.720 1.365 9.081 1.00 0.00 N ATOM 831 CA LEU A 500 2.269 0.023 8.927 1.00 0.00 C ATOM 832 C LEU A 500 3.782 0.027 9.110 1.00 0.00 C ATOM 833 O LEU A 500 4.346 -0.877 9.727 1.00 0.00 O ATOM 834 CB LEU A 500 1.913 -0.545 7.551 1.00 0.00 C ATOM 835 CG LEU A 500 0.559 -1.251 7.472 1.00 0.00 C ATOM 836 CD1 LEU A 500 -0.556 -0.242 7.250 1.00 0.00 C ATOM 837 CD2 LEU A 500 0.566 -2.293 6.364 1.00 0.00 C ATOM 0 H LEU A 500 1.307 1.752 8.233 1.00 0.00 H new ATOM 0 HA LEU A 500 1.829 -0.609 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.924 0.268 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.690 -1.249 7.253 1.00 0.00 H new ATOM 0 HG LEU A 500 0.379 -1.758 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -1.512 -0.762 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -0.575 0.467 8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -0.382 0.294 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.405 -2.786 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.768 -1.808 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 500 1.340 -3.033 6.566 1.00 0.00 H new ATOM 849 N ASN A 501 4.434 1.049 8.568 1.00 0.00 N ATOM 850 CA ASN A 501 5.884 1.172 8.667 1.00 0.00 C ATOM 851 C ASN A 501 6.575 -0.076 8.119 1.00 0.00 C ATOM 852 O ASN A 501 7.331 -0.742 8.827 1.00 0.00 O ATOM 853 CB ASN A 501 6.298 1.404 10.122 1.00 0.00 C ATOM 854 CG ASN A 501 7.655 2.070 10.239 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.925 3.074 9.581 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.518 1.512 11.080 1.00 0.00 N ATOM 0 H ASN A 501 3.981 1.805 8.055 1.00 0.00 H new ATOM 0 HA ASN A 501 6.194 2.028 8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.549 2.023 10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.319 0.449 10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.447 1.916 11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.252 0.679 11.606 1.00 0.00 H new ATOM 863 N PRO A 502 6.319 -0.413 6.842 1.00 0.00 N ATOM 864 CA PRO A 502 6.911 -1.587 6.197 1.00 0.00 C ATOM 865 C PRO A 502 8.342 -1.342 5.725 1.00 0.00 C ATOM 866 O PRO A 502 8.676 -1.607 4.570 1.00 0.00 O ATOM 867 CB PRO A 502 5.988 -1.817 5.003 1.00 0.00 C ATOM 868 CG PRO A 502 5.504 -0.455 4.640 1.00 0.00 C ATOM 869 CD PRO A 502 5.422 0.324 5.928 1.00 0.00 C ATOM 0 HA PRO A 502 6.986 -2.435 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.520 -2.284 4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.160 -2.477 5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.186 0.025 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.530 -0.506 4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.748 1.356 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.402 0.359 6.310 1.00 0.00 H new ATOM 877 N GLU A 503 9.186 -0.841 6.623 1.00 0.00 N ATOM 878 CA GLU A 503 10.583 -0.567 6.296 1.00 0.00 C ATOM 879 C GLU A 503 10.701 0.237 5.001 1.00 0.00 C ATOM 880 O GLU A 503 9.697 0.630 4.408 1.00 0.00 O ATOM 881 CB GLU A 503 11.359 -1.878 6.170 1.00 0.00 C ATOM 882 CG GLU A 503 11.831 -2.436 7.503 1.00 0.00 C ATOM 883 CD GLU A 503 12.636 -3.712 7.351 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.643 -4.282 6.239 1.00 0.00 O ATOM 885 OE2 GLU A 503 13.260 -4.142 8.344 1.00 0.00 O ATOM 0 H GLU A 503 8.927 -0.616 7.584 1.00 0.00 H new ATOM 0 HA GLU A 503 11.009 0.028 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.728 -2.618 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.224 -1.718 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 503 12.438 -1.687 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.966 -2.630 8.138 1.00 0.00 H new ATOM 892 N ARG A 504 11.935 0.477 4.569 1.00 0.00 N ATOM 893 CA ARG A 504 12.183 1.231 3.346 1.00 0.00 C ATOM 894 C ARG A 504 13.300 0.590 2.530 1.00 0.00 C ATOM 895 O ARG A 504 14.392 0.341 3.041 1.00 0.00 O ATOM 896 CB ARG A 504 12.545 2.680 3.679 1.00 0.00 C ATOM 897 CG ARG A 504 11.401 3.467 4.297 1.00 0.00 C ATOM 898 CD ARG A 504 10.295 3.735 3.288 1.00 0.00 C ATOM 899 NE ARG A 504 10.636 4.825 2.375 1.00 0.00 N ATOM 900 CZ ARG A 504 11.262 4.655 1.211 1.00 0.00 C ATOM 901 NH1 ARG A 504 11.630 3.443 0.812 1.00 0.00 N ATOM 902 NH2 ARG A 504 11.525 5.704 0.443 1.00 0.00 N ATOM 0 H ARG A 504 12.778 0.160 5.048 1.00 0.00 H new ATOM 0 HA ARG A 504 11.270 1.220 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 504 13.391 2.685 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.870 3.183 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 504 10.995 2.915 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.778 4.414 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 504 10.101 2.829 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 504 9.374 3.980 3.817 1.00 0.00 H new ATOM 0 HE ARG A 504 10.379 5.774 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.434 2.632 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.109 3.323 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.248 6.638 0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 504 12.004 5.576 -0.448 1.00 0.00 H new ATOM 916 N LYS A 505 13.021 0.326 1.257 1.00 0.00 N ATOM 917 CA LYS A 505 14.003 -0.286 0.370 1.00 0.00 C ATOM 918 C LYS A 505 14.058 0.445 -0.967 1.00 0.00 C ATOM 919 O LYS A 505 13.040 0.925 -1.466 1.00 0.00 O ATOM 920 CB LYS A 505 13.670 -1.762 0.145 1.00 0.00 C ATOM 921 CG LYS A 505 13.728 -2.599 1.412 1.00 0.00 C ATOM 922 CD LYS A 505 13.515 -4.074 1.115 1.00 0.00 C ATOM 923 CE LYS A 505 13.467 -4.898 2.391 1.00 0.00 C ATOM 924 NZ LYS A 505 12.899 -6.254 2.156 1.00 0.00 N ATOM 0 H LYS A 505 12.123 0.527 0.817 1.00 0.00 H new ATOM 0 HA LYS A 505 14.981 -0.211 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.672 -1.839 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.365 -2.175 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.694 -2.460 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 505 12.967 -2.254 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.585 -4.204 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.320 -4.437 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 505 14.473 -4.992 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 505 12.867 -4.377 3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 12.002 -6.349 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.728 -6.387 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 13.570 -6.974 2.492 1.00 0.00 H new ATOM 938 N MET A 506 15.253 0.526 -1.544 1.00 0.00 N ATOM 939 CA MET A 506 15.439 1.199 -2.824 1.00 0.00 C ATOM 940 C MET A 506 15.779 0.196 -3.922 1.00 0.00 C ATOM 941 O MET A 506 16.884 -0.345 -3.962 1.00 0.00 O ATOM 942 CB MET A 506 16.547 2.249 -2.716 1.00 0.00 C ATOM 943 CG MET A 506 16.680 3.122 -3.952 1.00 0.00 C ATOM 944 SD MET A 506 18.111 4.217 -3.878 1.00 0.00 S ATOM 945 CE MET A 506 17.687 5.232 -2.464 1.00 0.00 C ATOM 0 H MET A 506 16.106 0.134 -1.145 1.00 0.00 H new ATOM 0 HA MET A 506 14.503 1.693 -3.085 1.00 0.00 H new ATOM 0 HB2 MET A 506 16.351 2.884 -1.852 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.496 1.746 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 506 16.759 2.487 -4.834 1.00 0.00 H new ATOM 0 HG3 MET A 506 15.776 3.719 -4.069 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.324 6.116 -2.447 1.00 0.00 H new ATOM 0 HE2 MET A 506 16.643 5.538 -2.536 1.00 0.00 H new ATOM 0 HE3 MET A 506 17.835 4.660 -1.548 1.00 0.00 H new ATOM 955 N ILE A 507 14.823 -0.046 -4.813 1.00 0.00 N ATOM 956 CA ILE A 507 15.021 -0.983 -5.912 1.00 0.00 C ATOM 957 C ILE A 507 14.860 -0.287 -7.260 1.00 0.00 C ATOM 958 O ILE A 507 13.836 0.343 -7.526 1.00 0.00 O ATOM 959 CB ILE A 507 14.031 -2.161 -5.832 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.068 -2.793 -4.440 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.352 -3.199 -6.898 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.057 -3.903 -4.252 1.00 0.00 C ATOM 0 H ILE A 507 13.903 0.394 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 507 16.037 -1.367 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 507 13.025 -1.782 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.067 -3.188 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 507 13.888 -2.019 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.643 -4.024 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.279 -2.742 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.364 -3.576 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.141 -4.304 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.052 -3.509 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.249 -4.696 -4.975 1.00 0.00 H new ATOM 974 N ASN A 508 15.877 -0.405 -8.108 1.00 0.00 N ATOM 975 CA ASN A 508 15.847 0.212 -9.429 1.00 0.00 C ATOM 976 C ASN A 508 15.639 1.720 -9.321 1.00 0.00 C ATOM 977 O ASN A 508 14.866 2.307 -10.079 1.00 0.00 O ATOM 978 CB ASN A 508 14.739 -0.410 -10.281 1.00 0.00 C ATOM 979 CG ASN A 508 14.921 -0.130 -11.760 1.00 0.00 C ATOM 980 OD1 ASN A 508 15.859 0.558 -12.163 1.00 0.00 O ATOM 981 ND2 ASN A 508 14.021 -0.665 -12.578 1.00 0.00 N ATOM 0 H ASN A 508 16.732 -0.922 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 508 16.808 0.031 -9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 508 14.720 -1.488 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 508 13.774 -0.022 -9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.091 -0.512 -13.584 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.260 -1.229 -12.200 1.00 0.00 H new ATOM 988 N ASP A 509 16.333 2.341 -8.373 1.00 0.00 N ATOM 989 CA ASP A 509 16.224 3.781 -8.163 1.00 0.00 C ATOM 990 C ASP A 509 14.785 4.177 -7.847 1.00 0.00 C ATOM 991 O ASP A 509 14.308 5.223 -8.287 1.00 0.00 O ATOM 992 CB ASP A 509 16.714 4.535 -9.401 1.00 0.00 C ATOM 993 CG ASP A 509 18.190 4.313 -9.667 1.00 0.00 C ATOM 994 OD1 ASP A 509 18.900 3.863 -8.743 1.00 0.00 O ATOM 995 OD2 ASP A 509 18.637 4.590 -10.800 1.00 0.00 O ATOM 0 H ASP A 509 16.977 1.870 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 509 16.850 4.049 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.139 4.214 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.527 5.601 -9.271 1.00 0.00 H new ATOM 1000 N LYS A 510 14.100 3.334 -7.083 1.00 0.00 N ATOM 1001 CA LYS A 510 12.715 3.595 -6.706 1.00 0.00 C ATOM 1002 C LYS A 510 12.481 3.270 -5.235 1.00 0.00 C ATOM 1003 O LYS A 510 13.094 2.356 -4.685 1.00 0.00 O ATOM 1004 CB LYS A 510 11.764 2.774 -7.579 1.00 0.00 C ATOM 1005 CG LYS A 510 11.732 3.220 -9.031 1.00 0.00 C ATOM 1006 CD LYS A 510 10.847 2.315 -9.873 1.00 0.00 C ATOM 1007 CE LYS A 510 9.380 2.477 -9.510 1.00 0.00 C ATOM 1008 NZ LYS A 510 8.923 1.425 -8.560 1.00 0.00 N ATOM 0 H LYS A 510 14.481 2.463 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 510 12.516 4.655 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.059 1.726 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.758 2.839 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 510 11.366 4.245 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.744 3.219 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.989 2.545 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 510 11.146 1.277 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 510 9.222 3.460 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 510 8.775 2.435 -10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 8.262 1.841 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.444 0.667 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 9.744 1.032 -8.056 1.00 0.00 H new ATOM 1022 N MET A 511 11.587 4.024 -4.603 1.00 0.00 N ATOM 1023 CA MET A 511 11.271 3.815 -3.195 1.00 0.00 C ATOM 1024 C MET A 511 10.260 2.685 -3.029 1.00 0.00 C ATOM 1025 O MET A 511 9.091 2.827 -3.389 1.00 0.00 O ATOM 1026 CB MET A 511 10.722 5.102 -2.575 1.00 0.00 C ATOM 1027 CG MET A 511 9.615 5.747 -3.393 1.00 0.00 C ATOM 1028 SD MET A 511 10.198 7.143 -4.375 1.00 0.00 S ATOM 1029 CE MET A 511 9.219 8.475 -3.686 1.00 0.00 C ATOM 0 H MET A 511 11.069 4.784 -5.043 1.00 0.00 H new ATOM 0 HA MET A 511 12.190 3.537 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.344 4.882 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.538 5.815 -2.457 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.176 5.001 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 511 8.824 6.084 -2.724 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.467 9.408 -4.192 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.160 8.257 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.434 8.571 -2.622 1.00 0.00 H new ATOM 1039 N HIS A 512 10.717 1.563 -2.482 1.00 0.00 N ATOM 1040 CA HIS A 512 9.851 0.409 -2.270 1.00 0.00 C ATOM 1041 C HIS A 512 9.710 0.099 -0.783 1.00 0.00 C ATOM 1042 O HIS A 512 10.488 0.583 0.039 1.00 0.00 O ATOM 1043 CB HIS A 512 10.404 -0.812 -3.006 1.00 0.00 C ATOM 1044 CG HIS A 512 10.135 -0.795 -4.479 1.00 0.00 C ATOM 1045 ND1 HIS A 512 9.171 -1.404 -5.211 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 10.906 -0.088 -5.378 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 9.377 -1.056 -6.523 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 10.428 -0.261 -6.597 1.00 0.00 N flip ATOM 0 H HIS A 512 11.681 1.429 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 512 8.865 0.649 -2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.480 -0.868 -2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.968 -1.714 -2.576 1.00 0.00 H new ATOM 0 HD1 HIS A 512 8.431 -2.008 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 512 11.767 0.513 -5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 512 8.776 -1.380 -7.360 1.00 0.00 H new ATOM 1057 N PHE A 513 8.711 -0.710 -0.446 1.00 0.00 N ATOM 1058 CA PHE A 513 8.465 -1.086 0.941 1.00 0.00 C ATOM 1059 C PHE A 513 8.594 -2.595 1.126 1.00 0.00 C ATOM 1060 O PHE A 513 8.664 -3.346 0.154 1.00 0.00 O ATOM 1061 CB PHE A 513 7.074 -0.624 1.377 1.00 0.00 C ATOM 1062 CG PHE A 513 6.905 0.868 1.361 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.328 1.637 2.433 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.323 1.502 0.275 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.174 3.011 2.422 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.166 2.875 0.258 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.592 3.630 1.333 1.00 0.00 C ATOM 0 H PHE A 513 8.058 -1.118 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 513 9.214 -0.596 1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.329 -1.073 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.876 -0.993 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.783 1.158 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.988 0.916 -0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.508 3.599 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.711 3.357 -0.595 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.470 4.703 1.322 1.00 0.00 H new ATOM 1077 N SER A 514 8.623 -3.032 2.381 1.00 0.00 N ATOM 1078 CA SER A 514 8.743 -4.450 2.695 1.00 0.00 C ATOM 1079 C SER A 514 8.407 -4.713 4.159 1.00 0.00 C ATOM 1080 O SER A 514 8.918 -4.039 5.054 1.00 0.00 O ATOM 1081 CB SER A 514 10.158 -4.945 2.387 1.00 0.00 C ATOM 1082 OG SER A 514 10.258 -6.347 2.565 1.00 0.00 O ATOM 0 H SER A 514 8.565 -2.423 3.197 1.00 0.00 H new ATOM 0 HA SER A 514 8.032 -4.995 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.422 -4.686 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.873 -4.441 3.038 1.00 0.00 H new ATOM 0 HG SER A 514 10.520 -6.542 3.489 1.00 0.00 H new ATOM 1088 N LEU A 515 7.544 -5.695 4.396 1.00 0.00 N ATOM 1089 CA LEU A 515 7.139 -6.045 5.753 1.00 0.00 C ATOM 1090 C LEU A 515 7.516 -7.487 6.078 1.00 0.00 C ATOM 1091 O LEU A 515 7.245 -8.401 5.299 1.00 0.00 O ATOM 1092 CB LEU A 515 5.630 -5.844 5.923 1.00 0.00 C ATOM 1093 CG LEU A 515 5.225 -4.969 7.110 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.025 -4.105 6.753 1.00 0.00 C ATOM 1095 CD2 LEU A 515 4.919 -5.831 8.326 1.00 0.00 C ATOM 0 H LEU A 515 7.112 -6.262 3.667 1.00 0.00 H new ATOM 0 HA LEU A 515 7.665 -5.389 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.233 -5.399 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.159 -6.821 6.033 1.00 0.00 H new ATOM 0 HG LEU A 515 6.060 -4.312 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.752 -3.490 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.278 -3.462 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.184 -4.744 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 515 4.632 -5.193 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.101 -6.512 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 515 5.804 -6.407 8.596 1.00 0.00 H new ATOM 1107 N LYS A 516 8.141 -7.683 7.234 1.00 0.00 N ATOM 1108 CA LYS A 516 8.554 -9.014 7.663 1.00 0.00 C ATOM 1109 C LYS A 516 7.546 -9.608 8.641 1.00 0.00 C ATOM 1110 O LYS A 516 7.179 -8.974 9.630 1.00 0.00 O ATOM 1111 CB LYS A 516 9.939 -8.958 8.311 1.00 0.00 C ATOM 1112 CG LYS A 516 11.044 -8.549 7.351 1.00 0.00 C ATOM 1113 CD LYS A 516 12.411 -8.626 8.011 1.00 0.00 C ATOM 1114 CE LYS A 516 13.507 -8.128 7.083 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.800 -6.683 7.295 1.00 0.00 N ATOM 0 H LYS A 516 8.373 -6.937 7.890 1.00 0.00 H new ATOM 0 HA LYS A 516 8.599 -9.654 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 516 9.913 -8.254 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.176 -9.937 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 516 11.025 -9.197 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.865 -7.533 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 516 12.409 -8.032 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.619 -9.656 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 516 14.414 -8.710 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 516 13.207 -8.290 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.789 -6.488 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.170 -6.110 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.646 -6.440 8.294 1.00 0.00 H new ATOM 1129 N GLU A 517 7.102 -10.828 8.357 1.00 0.00 N ATOM 1130 CA GLU A 517 6.136 -11.507 9.212 1.00 0.00 C ATOM 1131 C GLU A 517 6.839 -12.251 10.343 1.00 0.00 C ATOM 1132 O GLU A 517 6.213 -12.433 11.409 1.00 0.00 O ATOM 1133 CB GLU A 517 5.294 -12.484 8.390 1.00 0.00 C ATOM 1134 CG GLU A 517 4.431 -11.807 7.337 1.00 0.00 C ATOM 1135 CD GLU A 517 3.426 -10.844 7.938 1.00 0.00 C ATOM 1136 OE1 GLU A 517 3.159 -10.946 9.154 1.00 0.00 O ATOM 1137 OE2 GLU A 517 2.905 -9.988 7.192 1.00 0.00 O ATOM 1138 OXT GLU A 517 8.008 -12.646 10.153 1.00 0.00 O ATOM 0 H GLU A 517 7.396 -11.366 7.542 1.00 0.00 H new ATOM 0 HA GLU A 517 5.482 -10.752 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 517 5.956 -13.199 7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.652 -13.053 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 517 5.072 -11.269 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.902 -12.567 6.763 1.00 0.00 H new TER 1145 GLU A 517