USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=19 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 485 SER OG : rot 93:sc= 0.0757 USER MOD Set 1.2: A 488 GLN :FLIP amide:sc= 0.0715 F(o=-0.58,f=0.15) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 130:sc= -1.07 USER MOD Single : A 464 THR OG1 : rot 33:sc= -1.1 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -168:sc= -1.66 (180deg=-1.94) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 142:sc= -0.169 (180deg=-0.556) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= -0.165 F(o=-0.83,f=-0.16) USER MOD Single : A 479 THR OG1 : rot -48:sc= 1.12 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 180:sc= -0.0457 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 489 THR OG1 : rot 73:sc= 0.402 USER MOD Single : A 491 ASN : amide:sc= -0.0852 K(o=-0.085,f=-1.5) USER MOD Single : A 495 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.16) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= 0.00166 X(o=0.0017,f=0) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -165:sc= -0.0293 (180deg=-0.355) USER MOD Single : A 508 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.086) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -104:sc= -0.248 (180deg=-1.77) USER MOD Single : A 512 HIS : no HE2:sc= -0.294 X(o=-0.29,f=-0.031) USER MOD Single : A 514 SER OG : rot 180:sc= -0.788 USER MOD Single : A 516 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -19.516 4.220 2.965 1.00 0.00 N ATOM 2 CA ASP A 451 -18.362 4.407 3.884 1.00 0.00 C ATOM 3 C ASP A 451 -17.507 3.146 3.957 1.00 0.00 C ATOM 4 O ASP A 451 -17.792 2.234 4.733 1.00 0.00 O ATOM 5 CB ASP A 451 -18.897 4.762 5.272 1.00 0.00 C ATOM 6 CG ASP A 451 -19.599 6.106 5.295 1.00 0.00 C ATOM 7 OD1 ASP A 451 -19.408 6.893 4.344 1.00 0.00 O ATOM 8 OD2 ASP A 451 -20.341 6.372 6.264 1.00 0.00 O ATOM 0 HA ASP A 451 -17.731 5.212 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -19.590 3.987 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -18.072 4.774 5.984 1.00 0.00 H new ATOM 12 N VAL A 452 -16.457 3.102 3.143 1.00 0.00 N ATOM 13 CA VAL A 452 -15.560 1.953 3.115 1.00 0.00 C ATOM 14 C VAL A 452 -14.148 2.348 3.536 1.00 0.00 C ATOM 15 O VAL A 452 -13.624 3.373 3.100 1.00 0.00 O ATOM 16 CB VAL A 452 -15.507 1.315 1.714 1.00 0.00 C ATOM 17 CG1 VAL A 452 -14.701 0.024 1.743 1.00 0.00 C ATOM 18 CG2 VAL A 452 -16.912 1.064 1.189 1.00 0.00 C ATOM 0 H VAL A 452 -16.207 3.848 2.494 1.00 0.00 H new ATOM 0 HA VAL A 452 -15.957 1.225 3.822 1.00 0.00 H new ATOM 0 HB VAL A 452 -15.010 2.010 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -14.675 -0.411 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -13.684 0.237 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -15.166 -0.680 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -16.855 0.613 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -17.438 0.390 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -17.451 2.009 1.127 1.00 0.00 H new ATOM 28 N GLN A 453 -13.538 1.528 4.385 1.00 0.00 N ATOM 29 CA GLN A 453 -12.186 1.790 4.865 1.00 0.00 C ATOM 30 C GLN A 453 -11.222 0.703 4.400 1.00 0.00 C ATOM 31 O GLN A 453 -11.639 -0.403 4.056 1.00 0.00 O ATOM 32 CB GLN A 453 -12.174 1.881 6.392 1.00 0.00 C ATOM 33 CG GLN A 453 -13.004 3.029 6.941 1.00 0.00 C ATOM 34 CD GLN A 453 -13.006 3.075 8.456 1.00 0.00 C ATOM 35 OE1 GLN A 453 -12.638 2.104 9.118 1.00 0.00 O ATOM 36 NE2 GLN A 453 -13.422 4.206 9.014 1.00 0.00 N ATOM 0 H GLN A 453 -13.959 0.676 4.755 1.00 0.00 H new ATOM 0 HA GLN A 453 -11.858 2.742 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -12.547 0.944 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -11.145 1.993 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -12.616 3.971 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -14.029 2.935 6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -13.718 4.986 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -13.445 4.295 10.030 1.00 0.00 H new ATOM 45 N VAL A 454 -9.933 1.026 4.393 1.00 0.00 N ATOM 46 CA VAL A 454 -8.910 0.077 3.971 1.00 0.00 C ATOM 47 C VAL A 454 -8.255 -0.593 5.174 1.00 0.00 C ATOM 48 O VAL A 454 -7.919 0.065 6.157 1.00 0.00 O ATOM 49 CB VAL A 454 -7.822 0.763 3.124 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.868 -0.269 2.542 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.454 1.599 2.020 1.00 0.00 C ATOM 0 H VAL A 454 -9.572 1.938 4.675 1.00 0.00 H new ATOM 0 HA VAL A 454 -9.409 -0.678 3.364 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.249 1.428 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.106 0.235 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.390 -0.820 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.423 -0.962 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.671 2.076 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.052 0.956 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.092 2.364 2.463 1.00 0.00 H new ATOM 61 N THR A 455 -8.077 -1.907 5.088 1.00 0.00 N ATOM 62 CA THR A 455 -7.462 -2.668 6.170 1.00 0.00 C ATOM 63 C THR A 455 -5.954 -2.781 5.969 1.00 0.00 C ATOM 64 O THR A 455 -5.480 -2.979 4.851 1.00 0.00 O ATOM 65 CB THR A 455 -8.082 -4.063 6.256 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.491 -3.979 6.381 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.565 -4.876 7.424 1.00 0.00 C ATOM 0 H THR A 455 -8.350 -2.467 4.280 1.00 0.00 H new ATOM 0 HA THR A 455 -7.646 -2.137 7.104 1.00 0.00 H new ATOM 0 HB THR A 455 -7.797 -4.564 5.331 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.869 -4.882 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.045 -5.855 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.486 -5.001 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.791 -4.358 8.356 1.00 0.00 H new ATOM 75 N GLU A 456 -5.205 -2.653 7.060 1.00 0.00 N ATOM 76 CA GLU A 456 -3.751 -2.742 7.005 1.00 0.00 C ATOM 77 C GLU A 456 -3.310 -4.108 6.490 1.00 0.00 C ATOM 78 O GLU A 456 -2.305 -4.223 5.788 1.00 0.00 O ATOM 79 CB GLU A 456 -3.151 -2.488 8.389 1.00 0.00 C ATOM 80 CG GLU A 456 -3.381 -1.076 8.903 1.00 0.00 C ATOM 81 CD GLU A 456 -2.777 -0.848 10.275 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.386 -1.841 10.925 1.00 0.00 O ATOM 83 OE2 GLU A 456 -2.693 0.324 10.700 1.00 0.00 O ATOM 0 H GLU A 456 -5.582 -2.487 7.993 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.390 -1.979 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.579 -3.198 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.079 -2.682 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -2.953 -0.363 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -4.452 -0.879 8.945 1.00 0.00 H new ATOM 90 N ASP A 457 -4.067 -5.140 6.845 1.00 0.00 N ATOM 91 CA ASP A 457 -3.755 -6.501 6.421 1.00 0.00 C ATOM 92 C ASP A 457 -3.717 -6.605 4.900 1.00 0.00 C ATOM 93 O ASP A 457 -2.880 -7.311 4.337 1.00 0.00 O ATOM 94 CB ASP A 457 -4.786 -7.481 6.985 1.00 0.00 C ATOM 95 CG ASP A 457 -4.394 -8.929 6.758 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.216 -9.180 6.423 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.264 -9.811 6.914 1.00 0.00 O ATOM 0 H ASP A 457 -4.902 -5.061 7.426 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.769 -6.757 6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -4.905 -7.303 8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.754 -7.293 6.521 1.00 0.00 H new ATOM 102 N ALA A 458 -4.628 -5.898 4.239 1.00 0.00 N ATOM 103 CA ALA A 458 -4.697 -5.912 2.784 1.00 0.00 C ATOM 104 C ALA A 458 -3.407 -5.381 2.168 1.00 0.00 C ATOM 105 O ALA A 458 -2.890 -5.943 1.203 1.00 0.00 O ATOM 106 CB ALA A 458 -5.888 -5.096 2.304 1.00 0.00 C ATOM 0 H ALA A 458 -5.328 -5.308 4.689 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.825 -6.945 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.927 -5.115 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.807 -5.521 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.785 -4.066 2.645 1.00 0.00 H new ATOM 112 N VAL A 459 -2.891 -4.294 2.734 1.00 0.00 N ATOM 113 CA VAL A 459 -1.661 -3.687 2.241 1.00 0.00 C ATOM 114 C VAL A 459 -0.460 -4.588 2.509 1.00 0.00 C ATOM 115 O VAL A 459 0.409 -4.752 1.653 1.00 0.00 O ATOM 116 CB VAL A 459 -1.414 -2.311 2.889 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.198 -1.635 2.271 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.647 -1.429 2.756 1.00 0.00 C ATOM 0 H VAL A 459 -3.306 -3.816 3.534 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.781 -3.556 1.166 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.215 -2.463 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.042 -0.665 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.682 -2.259 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.363 -1.496 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.454 -0.461 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.880 -1.286 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.492 -1.907 3.252 1.00 0.00 H new ATOM 128 N ARG A 460 -0.420 -5.170 3.703 1.00 0.00 N ATOM 129 CA ARG A 460 0.675 -6.055 4.085 1.00 0.00 C ATOM 130 C ARG A 460 0.765 -7.251 3.143 1.00 0.00 C ATOM 131 O ARG A 460 1.857 -7.697 2.792 1.00 0.00 O ATOM 132 CB ARG A 460 0.488 -6.540 5.524 1.00 0.00 C ATOM 133 CG ARG A 460 0.575 -5.429 6.557 1.00 0.00 C ATOM 134 CD ARG A 460 0.361 -5.959 7.966 1.00 0.00 C ATOM 135 NE ARG A 460 1.485 -6.774 8.421 1.00 0.00 N ATOM 136 CZ ARG A 460 1.546 -7.349 9.620 1.00 0.00 C ATOM 137 NH1 ARG A 460 0.553 -7.200 10.487 1.00 0.00 N ATOM 138 NH2 ARG A 460 2.606 -8.075 9.953 1.00 0.00 N ATOM 0 H ARG A 460 -1.132 -5.045 4.422 1.00 0.00 H new ATOM 0 HA ARG A 460 1.605 -5.490 4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.482 -7.030 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 460 1.245 -7.292 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.551 -4.947 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -0.172 -4.667 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.219 -5.122 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.553 -6.553 7.995 1.00 0.00 H new ATOM 0 HE ARG A 460 2.269 -6.910 7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.263 -6.642 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.606 -7.643 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 460 3.373 -8.192 9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 460 2.654 -8.516 10.871 1.00 0.00 H new ATOM 152 N ARG A 461 -0.392 -7.766 2.738 1.00 0.00 N ATOM 153 CA ARG A 461 -0.444 -8.913 1.838 1.00 0.00 C ATOM 154 C ARG A 461 0.257 -8.606 0.519 1.00 0.00 C ATOM 155 O ARG A 461 0.974 -9.446 -0.024 1.00 0.00 O ATOM 156 CB ARG A 461 -1.897 -9.314 1.576 1.00 0.00 C ATOM 157 CG ARG A 461 -2.038 -10.580 0.746 1.00 0.00 C ATOM 158 CD ARG A 461 -3.483 -11.045 0.679 1.00 0.00 C ATOM 159 NE ARG A 461 -4.315 -10.134 -0.105 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.645 -10.117 -0.055 1.00 0.00 C ATOM 161 NH1 ARG A 461 -6.298 -10.956 0.741 1.00 0.00 N ATOM 162 NH2 ARG A 461 -6.325 -9.257 -0.801 1.00 0.00 N ATOM 0 H ARG A 461 -1.305 -7.408 3.018 1.00 0.00 H new ATOM 0 HA ARG A 461 0.076 -9.743 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.404 -9.457 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.405 -8.496 1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.666 -10.398 -0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -1.421 -11.369 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -3.523 -12.042 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.885 -11.125 1.689 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.849 -9.473 -0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -5.780 -11.618 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -7.317 -10.938 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -5.829 -8.609 -1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -7.344 -9.244 -0.763 1.00 0.00 H new ATOM 176 N TYR A 462 0.044 -7.398 0.006 1.00 0.00 N ATOM 177 CA TYR A 462 0.656 -6.984 -1.251 1.00 0.00 C ATOM 178 C TYR A 462 2.157 -6.770 -1.084 1.00 0.00 C ATOM 179 O TYR A 462 2.951 -7.193 -1.924 1.00 0.00 O ATOM 180 CB TYR A 462 0.000 -5.701 -1.762 1.00 0.00 C ATOM 181 CG TYR A 462 -1.488 -5.832 -1.996 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.993 -6.809 -2.846 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.388 -4.981 -1.367 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.352 -6.931 -3.063 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.748 -5.099 -1.577 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.225 -6.075 -2.426 1.00 0.00 C ATOM 187 OH TYR A 462 -5.580 -6.194 -2.639 1.00 0.00 O ATOM 0 H TYR A 462 -0.547 -6.690 0.441 1.00 0.00 H new ATOM 0 HA TYR A 462 0.501 -7.779 -1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.177 -4.901 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.481 -5.404 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.312 -7.483 -3.345 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.018 -4.214 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.729 -7.693 -3.729 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.434 -4.430 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.046 -6.220 -1.777 1.00 0.00 H new ATOM 197 N LEU A 463 2.537 -6.110 0.004 1.00 0.00 N ATOM 198 CA LEU A 463 3.943 -5.837 0.282 1.00 0.00 C ATOM 199 C LEU A 463 4.693 -7.121 0.621 1.00 0.00 C ATOM 200 O LEU A 463 5.875 -7.262 0.305 1.00 0.00 O ATOM 201 CB LEU A 463 4.072 -4.837 1.431 1.00 0.00 C ATOM 202 CG LEU A 463 3.515 -3.443 1.139 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.325 -2.663 2.431 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.437 -2.691 0.191 1.00 0.00 C ATOM 0 H LEU A 463 1.891 -5.754 0.709 1.00 0.00 H new ATOM 0 HA LEU A 463 4.387 -5.407 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.560 -5.241 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.125 -4.743 1.695 1.00 0.00 H new ATOM 0 HG LEU A 463 2.543 -3.553 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.928 -1.674 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.627 -3.194 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.284 -2.561 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.026 -1.701 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.423 -2.591 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.523 -3.242 -0.746 1.00 0.00 H new ATOM 216 N THR A 464 4.001 -8.053 1.267 1.00 0.00 N ATOM 217 CA THR A 464 4.603 -9.324 1.650 1.00 0.00 C ATOM 218 C THR A 464 5.018 -10.123 0.420 1.00 0.00 C ATOM 219 O THR A 464 5.980 -10.891 0.463 1.00 0.00 O ATOM 220 CB THR A 464 3.622 -10.135 2.496 1.00 0.00 C ATOM 221 OG1 THR A 464 2.304 -10.013 1.993 1.00 0.00 O ATOM 222 CG2 THR A 464 3.599 -9.718 3.952 1.00 0.00 C ATOM 0 H THR A 464 3.022 -7.952 1.536 1.00 0.00 H new ATOM 0 HA THR A 464 5.496 -9.115 2.239 1.00 0.00 H new ATOM 0 HB THR A 464 3.973 -11.165 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.333 -9.925 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.882 -10.333 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.591 -9.850 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.307 -8.670 4.026 1.00 0.00 H new ATOM 230 N ARG A 465 4.289 -9.939 -0.676 1.00 0.00 N ATOM 231 CA ARG A 465 4.584 -10.645 -1.918 1.00 0.00 C ATOM 232 C ARG A 465 5.865 -10.119 -2.552 1.00 0.00 C ATOM 233 O ARG A 465 6.858 -10.838 -2.662 1.00 0.00 O ATOM 234 CB ARG A 465 3.419 -10.504 -2.900 1.00 0.00 C ATOM 235 CG ARG A 465 2.151 -11.208 -2.446 1.00 0.00 C ATOM 236 CD ARG A 465 2.317 -12.719 -2.461 1.00 0.00 C ATOM 237 NE ARG A 465 1.068 -13.410 -2.152 1.00 0.00 N ATOM 238 CZ ARG A 465 0.077 -13.576 -3.026 1.00 0.00 C ATOM 239 NH1 ARG A 465 0.187 -13.104 -4.262 1.00 0.00 N ATOM 240 NH2 ARG A 465 -1.027 -14.215 -2.662 1.00 0.00 N ATOM 0 H ARG A 465 3.490 -9.307 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 465 4.724 -11.700 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 465 3.204 -9.445 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.720 -10.905 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 465 1.892 -10.879 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.324 -10.925 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 465 2.673 -13.035 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 465 3.079 -13.007 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 465 0.948 -13.787 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 465 1.034 -12.611 -4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -0.575 -13.234 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.116 -14.579 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -1.786 -14.343 -3.331 1.00 0.00 H new ATOM 254 N LYS A 466 5.831 -8.861 -2.965 1.00 0.00 N ATOM 255 CA LYS A 466 6.988 -8.228 -3.590 1.00 0.00 C ATOM 256 C LYS A 466 7.069 -6.750 -3.216 1.00 0.00 C ATOM 257 O LYS A 466 6.045 -6.090 -3.043 1.00 0.00 O ATOM 258 CB LYS A 466 6.914 -8.372 -5.112 1.00 0.00 C ATOM 259 CG LYS A 466 7.067 -9.805 -5.597 1.00 0.00 C ATOM 260 CD LYS A 466 8.529 -10.217 -5.665 1.00 0.00 C ATOM 261 CE LYS A 466 8.926 -11.062 -4.465 1.00 0.00 C ATOM 262 NZ LYS A 466 10.261 -11.695 -4.649 1.00 0.00 N ATOM 0 H LYS A 466 5.015 -8.256 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 466 7.885 -8.729 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.958 -7.980 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 466 7.693 -7.759 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 466 6.529 -10.476 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 466 6.613 -9.907 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 466 8.708 -10.779 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 466 9.157 -9.327 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 466 8.940 -10.439 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 466 8.176 -11.836 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 10.495 -12.262 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 10.241 -12.310 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 10.981 -10.956 -4.779 1.00 0.00 H new ATOM 276 N PRO A 467 8.292 -6.207 -3.086 1.00 0.00 N ATOM 277 CA PRO A 467 8.495 -4.797 -2.732 1.00 0.00 C ATOM 278 C PRO A 467 7.835 -3.854 -3.732 1.00 0.00 C ATOM 279 O PRO A 467 8.239 -3.784 -4.892 1.00 0.00 O ATOM 280 CB PRO A 467 10.018 -4.627 -2.766 1.00 0.00 C ATOM 281 CG PRO A 467 10.567 -6.005 -2.619 1.00 0.00 C ATOM 282 CD PRO A 467 9.570 -6.917 -3.273 1.00 0.00 C ATOM 0 HA PRO A 467 8.051 -4.554 -1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 467 10.343 -4.171 -3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.360 -3.978 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.544 -6.089 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.701 -6.262 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.795 -7.069 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.556 -7.901 -2.805 1.00 0.00 H new ATOM 290 N MET A 468 6.817 -3.130 -3.276 1.00 0.00 N ATOM 291 CA MET A 468 6.104 -2.193 -4.135 1.00 0.00 C ATOM 292 C MET A 468 5.999 -0.821 -3.477 1.00 0.00 C ATOM 293 O MET A 468 6.016 -0.705 -2.252 1.00 0.00 O ATOM 294 CB MET A 468 4.707 -2.726 -4.458 1.00 0.00 C ATOM 295 CG MET A 468 4.720 -4.026 -5.245 1.00 0.00 C ATOM 296 SD MET A 468 3.090 -4.480 -5.867 1.00 0.00 S ATOM 297 CE MET A 468 2.178 -4.647 -4.335 1.00 0.00 C ATOM 0 H MET A 468 6.469 -3.175 -2.318 1.00 0.00 H new ATOM 0 HA MET A 468 6.668 -2.088 -5.062 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.161 -2.880 -3.527 1.00 0.00 H new ATOM 0 HB3 MET A 468 4.162 -1.972 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 468 5.411 -3.932 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 468 5.098 -4.827 -4.609 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.220 -5.127 -4.533 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.751 -5.255 -3.635 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.007 -3.661 -3.904 1.00 0.00 H new ATOM 307 N THR A 469 5.887 0.217 -4.300 1.00 0.00 N ATOM 308 CA THR A 469 5.778 1.582 -3.800 1.00 0.00 C ATOM 309 C THR A 469 4.346 1.895 -3.380 1.00 0.00 C ATOM 310 O THR A 469 3.425 1.127 -3.660 1.00 0.00 O ATOM 311 CB THR A 469 6.237 2.580 -4.866 1.00 0.00 C ATOM 312 OG1 THR A 469 5.233 2.759 -5.849 1.00 0.00 O ATOM 313 CG2 THR A 469 7.505 2.158 -5.577 1.00 0.00 C ATOM 0 H THR A 469 5.869 0.138 -5.317 1.00 0.00 H new ATOM 0 HA THR A 469 6.424 1.672 -2.926 1.00 0.00 H new ATOM 0 HB THR A 469 6.434 3.507 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.544 3.401 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.774 2.910 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.313 2.059 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.343 1.201 -6.073 1.00 0.00 H new ATOM 321 N THR A 470 4.165 3.026 -2.706 1.00 0.00 N ATOM 322 CA THR A 470 2.844 3.441 -2.248 1.00 0.00 C ATOM 323 C THR A 470 1.879 3.577 -3.422 1.00 0.00 C ATOM 324 O THR A 470 0.726 3.153 -3.343 1.00 0.00 O ATOM 325 CB THR A 470 2.937 4.766 -1.493 1.00 0.00 C ATOM 326 OG1 THR A 470 3.680 5.716 -2.237 1.00 0.00 O ATOM 327 CG2 THR A 470 3.588 4.638 -0.133 1.00 0.00 C ATOM 0 H THR A 470 4.917 3.672 -2.465 1.00 0.00 H new ATOM 0 HA THR A 470 2.462 2.673 -1.575 1.00 0.00 H new ATOM 0 HB THR A 470 1.906 5.091 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 470 3.727 6.558 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.622 5.616 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.010 3.950 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.602 4.256 -0.250 1.00 0.00 H new ATOM 335 N LYS A 471 2.359 4.171 -4.509 1.00 0.00 N ATOM 336 CA LYS A 471 1.540 4.363 -5.700 1.00 0.00 C ATOM 337 C LYS A 471 1.063 3.026 -6.254 1.00 0.00 C ATOM 338 O LYS A 471 -0.077 2.898 -6.699 1.00 0.00 O ATOM 339 CB LYS A 471 2.328 5.121 -6.770 1.00 0.00 C ATOM 340 CG LYS A 471 2.713 6.533 -6.356 1.00 0.00 C ATOM 341 CD LYS A 471 3.389 7.281 -7.494 1.00 0.00 C ATOM 342 CE LYS A 471 3.886 8.645 -7.046 1.00 0.00 C ATOM 343 NZ LYS A 471 4.139 9.551 -8.200 1.00 0.00 N ATOM 0 H LYS A 471 3.311 4.528 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 471 0.666 4.951 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.233 4.562 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.733 5.168 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.823 7.076 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.383 6.492 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 471 4.226 6.693 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 471 2.687 7.401 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.150 9.099 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.804 8.526 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.477 10.471 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.860 9.130 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 3.258 9.686 -8.735 1.00 0.00 H new ATOM 357 N ASP A 472 1.943 2.030 -6.224 1.00 0.00 N ATOM 358 CA ASP A 472 1.611 0.701 -6.723 1.00 0.00 C ATOM 359 C ASP A 472 0.440 0.107 -5.949 1.00 0.00 C ATOM 360 O ASP A 472 -0.392 -0.606 -6.511 1.00 0.00 O ATOM 361 CB ASP A 472 2.826 -0.223 -6.623 1.00 0.00 C ATOM 362 CG ASP A 472 3.929 0.162 -7.590 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.657 0.953 -8.518 1.00 0.00 O ATOM 364 OD2 ASP A 472 5.064 -0.329 -7.420 1.00 0.00 O ATOM 0 H ASP A 472 2.891 2.119 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 472 1.321 0.795 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.215 -0.198 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.516 -1.249 -6.821 1.00 0.00 H new ATOM 369 N LEU A 473 0.382 0.404 -4.655 1.00 0.00 N ATOM 370 CA LEU A 473 -0.688 -0.100 -3.802 1.00 0.00 C ATOM 371 C LEU A 473 -2.051 0.352 -4.313 1.00 0.00 C ATOM 372 O LEU A 473 -3.020 -0.407 -4.283 1.00 0.00 O ATOM 373 CB LEU A 473 -0.486 0.377 -2.361 1.00 0.00 C ATOM 374 CG LEU A 473 0.886 0.062 -1.760 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.028 0.707 -0.391 1.00 0.00 C ATOM 376 CD2 LEU A 473 1.095 -1.442 -1.667 1.00 0.00 C ATOM 0 H LEU A 473 1.063 0.991 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.655 -1.189 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.642 1.455 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.253 -0.076 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 473 1.653 0.475 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.009 0.473 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.923 1.788 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.254 0.324 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 473 2.076 -1.647 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 473 0.323 -1.878 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 473 1.037 -1.880 -2.664 1.00 0.00 H new ATOM 388 N LEU A 474 -2.119 1.594 -4.785 1.00 0.00 N ATOM 389 CA LEU A 474 -3.364 2.145 -5.306 1.00 0.00 C ATOM 390 C LEU A 474 -3.812 1.391 -6.554 1.00 0.00 C ATOM 391 O LEU A 474 -4.997 1.106 -6.727 1.00 0.00 O ATOM 392 CB LEU A 474 -3.192 3.631 -5.628 1.00 0.00 C ATOM 393 CG LEU A 474 -2.816 4.513 -4.437 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.728 5.971 -4.859 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.823 4.342 -3.309 1.00 0.00 C ATOM 0 H LEU A 474 -1.327 2.236 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.131 2.032 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.423 3.734 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -4.122 4.004 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.837 4.202 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -2.459 6.583 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.969 6.080 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.693 6.296 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -3.540 4.977 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.815 4.626 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.836 3.300 -2.988 1.00 0.00 H new ATOM 407 N LYS A 475 -2.856 1.070 -7.419 1.00 0.00 N ATOM 408 CA LYS A 475 -3.150 0.347 -8.650 1.00 0.00 C ATOM 409 C LYS A 475 -3.712 -1.039 -8.348 1.00 0.00 C ATOM 410 O LYS A 475 -4.499 -1.583 -9.123 1.00 0.00 O ATOM 411 CB LYS A 475 -1.888 0.222 -9.506 1.00 0.00 C ATOM 412 CG LYS A 475 -1.349 1.557 -9.994 1.00 0.00 C ATOM 413 CD LYS A 475 -0.171 1.371 -10.937 1.00 0.00 C ATOM 414 CE LYS A 475 0.462 2.702 -11.306 1.00 0.00 C ATOM 415 NZ LYS A 475 0.849 3.487 -10.100 1.00 0.00 N ATOM 0 H LYS A 475 -1.871 1.299 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.902 0.911 -9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.115 -0.283 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.104 -0.410 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.141 2.106 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -1.041 2.160 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 475 0.575 0.730 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -0.504 0.862 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 475 1.343 2.526 -11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.238 3.282 -11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 1.750 3.975 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 0.110 4.189 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 0.957 2.846 -9.288 1.00 0.00 H new ATOM 429 N LYS A 476 -3.301 -1.606 -7.217 1.00 0.00 N ATOM 430 CA LYS A 476 -3.763 -2.930 -6.813 1.00 0.00 C ATOM 431 C LYS A 476 -4.999 -2.838 -5.919 1.00 0.00 C ATOM 432 O LYS A 476 -5.358 -3.805 -5.247 1.00 0.00 O ATOM 433 CB LYS A 476 -2.645 -3.677 -6.083 1.00 0.00 C ATOM 434 CG LYS A 476 -2.847 -5.183 -6.040 1.00 0.00 C ATOM 435 CD LYS A 476 -2.570 -5.821 -7.392 1.00 0.00 C ATOM 436 CE LYS A 476 -2.547 -7.337 -7.297 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.657 -7.979 -8.637 1.00 0.00 N ATOM 0 H LYS A 476 -2.650 -1.170 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.037 -3.480 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -1.695 -3.460 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -2.573 -3.299 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.188 -5.618 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.869 -5.405 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.334 -5.511 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.614 -5.465 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -1.623 -7.657 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -3.368 -7.674 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.638 -9.013 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.551 -7.694 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.859 -7.678 -9.233 1.00 0.00 H new ATOM 451 N PHE A 477 -5.646 -1.676 -5.912 1.00 0.00 N ATOM 452 CA PHE A 477 -6.840 -1.473 -5.098 1.00 0.00 C ATOM 453 C PHE A 477 -7.898 -0.681 -5.863 1.00 0.00 C ATOM 454 O PHE A 477 -8.770 -0.054 -5.262 1.00 0.00 O ATOM 455 CB PHE A 477 -6.477 -0.743 -3.802 1.00 0.00 C ATOM 456 CG PHE A 477 -7.244 -1.229 -2.606 1.00 0.00 C ATOM 457 CD1 PHE A 477 -6.809 -2.333 -1.891 1.00 0.00 C ATOM 458 CD2 PHE A 477 -8.398 -0.581 -2.196 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.512 -2.783 -0.789 1.00 0.00 C ATOM 460 CE2 PHE A 477 -9.104 -1.026 -1.094 1.00 0.00 C ATOM 461 CZ PHE A 477 -8.661 -2.127 -0.389 1.00 0.00 C ATOM 0 H PHE A 477 -5.364 -0.863 -6.459 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.254 -2.452 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.410 -0.863 -3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.659 0.324 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -5.911 -2.848 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -8.750 0.281 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.164 -3.646 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -10.002 -0.512 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.211 -2.475 0.473 1.00 0.00 H new ATOM 471 N GLN A 478 -7.816 -0.714 -7.190 1.00 0.00 N ATOM 472 CA GLN A 478 -8.768 0.001 -8.032 1.00 0.00 C ATOM 473 C GLN A 478 -10.024 -0.833 -8.267 1.00 0.00 C ATOM 474 O GLN A 478 -11.118 -0.293 -8.430 1.00 0.00 O ATOM 475 CB GLN A 478 -8.124 0.362 -9.373 1.00 0.00 C ATOM 476 CG GLN A 478 -6.913 1.270 -9.241 1.00 0.00 C ATOM 477 CD GLN A 478 -6.375 1.722 -10.584 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.409 0.982 -11.114 1.00 0.00 O flip ATOM 479 NE2 GLN A 478 -6.825 2.724 -11.141 1.00 0.00 N flip ATOM 0 H GLN A 478 -7.101 -1.228 -7.704 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.054 0.917 -7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.827 -0.555 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -8.867 0.850 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.182 2.144 -8.648 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -6.128 0.745 -8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -7.568 3.264 -10.697 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.455 3.014 -12.046 1.00 0.00 H new ATOM 488 N THR A 479 -9.859 -2.151 -8.284 1.00 0.00 N ATOM 489 CA THR A 479 -10.979 -3.060 -8.502 1.00 0.00 C ATOM 490 C THR A 479 -11.509 -3.601 -7.177 1.00 0.00 C ATOM 491 O THR A 479 -12.012 -4.723 -7.112 1.00 0.00 O ATOM 492 CB THR A 479 -10.555 -4.219 -9.405 1.00 0.00 C ATOM 493 OG1 THR A 479 -11.647 -5.086 -9.653 1.00 0.00 O ATOM 494 CG2 THR A 479 -9.430 -5.048 -8.827 1.00 0.00 C ATOM 0 H THR A 479 -8.960 -2.614 -8.149 1.00 0.00 H new ATOM 0 HA THR A 479 -11.777 -2.501 -8.990 1.00 0.00 H new ATOM 0 HB THR A 479 -10.203 -3.754 -10.326 1.00 0.00 H new ATOM 0 HG1 THR A 479 -12.089 -5.305 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 479 -9.179 -5.853 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 479 -8.555 -4.416 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 479 -9.744 -5.473 -7.874 1.00 0.00 H new ATOM 502 N LYS A 480 -11.395 -2.798 -6.125 1.00 0.00 N ATOM 503 CA LYS A 480 -11.865 -3.199 -4.804 1.00 0.00 C ATOM 504 C LYS A 480 -13.200 -2.539 -4.478 1.00 0.00 C ATOM 505 O LYS A 480 -13.460 -1.407 -4.885 1.00 0.00 O ATOM 506 CB LYS A 480 -10.828 -2.834 -3.739 1.00 0.00 C ATOM 507 CG LYS A 480 -9.460 -3.445 -3.991 1.00 0.00 C ATOM 508 CD LYS A 480 -9.515 -4.965 -3.962 1.00 0.00 C ATOM 509 CE LYS A 480 -8.134 -5.575 -4.127 1.00 0.00 C ATOM 510 NZ LYS A 480 -8.178 -6.850 -4.897 1.00 0.00 N ATOM 0 H LYS A 480 -10.982 -1.866 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.007 -4.280 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.730 -1.749 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.189 -3.161 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -9.084 -3.112 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -8.757 -3.091 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.950 -5.296 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -10.169 -5.322 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -7.482 -4.865 -4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -7.699 -5.759 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -7.216 -7.234 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -8.779 -7.536 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.570 -6.671 -5.844 1.00 0.00 H new ATOM 524 N LYS A 481 -14.044 -3.255 -3.742 1.00 0.00 N ATOM 525 CA LYS A 481 -15.354 -2.740 -3.361 1.00 0.00 C ATOM 526 C LYS A 481 -15.228 -1.695 -2.257 1.00 0.00 C ATOM 527 O LYS A 481 -15.358 -2.009 -1.074 1.00 0.00 O ATOM 528 CB LYS A 481 -16.260 -3.882 -2.898 1.00 0.00 C ATOM 529 CG LYS A 481 -16.403 -4.998 -3.920 1.00 0.00 C ATOM 530 CD LYS A 481 -17.070 -4.502 -5.193 1.00 0.00 C ATOM 531 CE LYS A 481 -17.365 -5.648 -6.149 1.00 0.00 C ATOM 532 NZ LYS A 481 -17.157 -5.253 -7.570 1.00 0.00 N ATOM 0 H LYS A 481 -13.844 -4.194 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.798 -2.266 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.862 -4.297 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -17.248 -3.481 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -15.420 -5.404 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.990 -5.811 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.998 -3.987 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -16.424 -3.774 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -16.722 -6.495 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.394 -5.980 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -17.368 -6.061 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -17.789 -4.461 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.169 -4.960 -7.708 1.00 0.00 H new ATOM 546 N THR A 482 -14.976 -0.452 -2.653 1.00 0.00 N ATOM 547 CA THR A 482 -14.833 0.640 -1.697 1.00 0.00 C ATOM 548 C THR A 482 -15.739 1.810 -2.068 1.00 0.00 C ATOM 549 O THR A 482 -16.401 2.392 -1.209 1.00 0.00 O ATOM 550 CB THR A 482 -13.377 1.106 -1.638 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.981 1.674 -2.874 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.405 -0.007 -1.311 1.00 0.00 C ATOM 0 H THR A 482 -14.867 -0.176 -3.629 1.00 0.00 H new ATOM 0 HA THR A 482 -15.130 0.272 -0.715 1.00 0.00 H new ATOM 0 HB THR A 482 -13.342 1.843 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.048 1.967 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.391 0.392 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.653 -0.432 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.470 -0.783 -2.074 1.00 0.00 H new ATOM 560 N GLY A 483 -15.762 2.150 -3.353 1.00 0.00 N ATOM 561 CA GLY A 483 -16.589 3.249 -3.814 1.00 0.00 C ATOM 562 C GLY A 483 -15.989 4.604 -3.491 1.00 0.00 C ATOM 563 O GLY A 483 -16.708 5.598 -3.390 1.00 0.00 O ATOM 0 H GLY A 483 -15.223 1.684 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -16.730 3.166 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.575 3.174 -3.356 1.00 0.00 H new ATOM 567 N LEU A 484 -14.671 4.644 -3.331 1.00 0.00 N ATOM 568 CA LEU A 484 -13.976 5.887 -3.018 1.00 0.00 C ATOM 569 C LEU A 484 -13.098 6.329 -4.184 1.00 0.00 C ATOM 570 O LEU A 484 -12.495 5.502 -4.868 1.00 0.00 O ATOM 571 CB LEU A 484 -13.123 5.716 -1.759 1.00 0.00 C ATOM 572 CG LEU A 484 -13.881 5.219 -0.527 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.957 5.163 0.681 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.080 6.110 -0.242 1.00 0.00 C ATOM 0 H LEU A 484 -14.062 3.830 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.726 6.657 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.316 5.016 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.659 6.673 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.243 4.211 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.513 4.807 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.131 4.482 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.564 6.159 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.607 5.741 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.741 7.130 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.753 6.099 -1.099 1.00 0.00 H new ATOM 586 N SER A 485 -13.031 7.637 -4.407 1.00 0.00 N ATOM 587 CA SER A 485 -12.226 8.187 -5.490 1.00 0.00 C ATOM 588 C SER A 485 -10.756 7.822 -5.315 1.00 0.00 C ATOM 589 O SER A 485 -10.298 7.570 -4.200 1.00 0.00 O ATOM 590 CB SER A 485 -12.382 9.708 -5.548 1.00 0.00 C ATOM 591 OG SER A 485 -13.745 10.077 -5.669 1.00 0.00 O ATOM 0 H SER A 485 -13.525 8.336 -3.852 1.00 0.00 H new ATOM 0 HA SER A 485 -12.580 7.756 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.960 10.155 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 485 -11.819 10.102 -6.394 1.00 0.00 H new ATOM 0 HG SER A 485 -14.121 10.236 -4.778 1.00 0.00 H new ATOM 597 N SER A 486 -10.021 7.795 -6.422 1.00 0.00 N ATOM 598 CA SER A 486 -8.603 7.459 -6.390 1.00 0.00 C ATOM 599 C SER A 486 -7.834 8.426 -5.496 1.00 0.00 C ATOM 600 O SER A 486 -6.912 8.029 -4.783 1.00 0.00 O ATOM 601 CB SER A 486 -8.021 7.482 -7.805 1.00 0.00 C ATOM 602 OG SER A 486 -6.695 6.980 -7.819 1.00 0.00 O ATOM 0 H SER A 486 -10.384 8.002 -7.352 1.00 0.00 H new ATOM 0 HA SER A 486 -8.502 6.455 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 486 -8.646 6.885 -8.469 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.031 8.502 -8.189 1.00 0.00 H new ATOM 0 HG SER A 486 -6.346 7.004 -8.734 1.00 0.00 H new ATOM 608 N GLU A 487 -8.220 9.697 -5.538 1.00 0.00 N ATOM 609 CA GLU A 487 -7.567 10.721 -4.730 1.00 0.00 C ATOM 610 C GLU A 487 -7.799 10.471 -3.243 1.00 0.00 C ATOM 611 O GLU A 487 -6.884 10.609 -2.431 1.00 0.00 O ATOM 612 CB GLU A 487 -8.084 12.108 -5.113 1.00 0.00 C ATOM 613 CG GLU A 487 -7.358 13.244 -4.411 1.00 0.00 C ATOM 614 CD GLU A 487 -7.948 14.604 -4.731 1.00 0.00 C ATOM 615 OE1 GLU A 487 -8.953 14.657 -5.470 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.406 15.617 -4.241 1.00 0.00 O ATOM 0 H GLU A 487 -8.981 10.043 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.496 10.674 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -7.987 12.238 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.147 12.168 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.394 13.082 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -6.307 13.232 -4.700 1.00 0.00 H new ATOM 623 N GLN A 488 -9.027 10.103 -2.895 1.00 0.00 N ATOM 624 CA GLN A 488 -9.378 9.834 -1.504 1.00 0.00 C ATOM 625 C GLN A 488 -8.594 8.642 -0.966 1.00 0.00 C ATOM 626 O GLN A 488 -8.178 8.632 0.193 1.00 0.00 O ATOM 627 CB GLN A 488 -10.880 9.571 -1.378 1.00 0.00 C ATOM 628 CG GLN A 488 -11.740 10.772 -1.736 1.00 0.00 C ATOM 629 CD GLN A 488 -13.214 10.534 -1.469 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.975 10.285 -2.528 1.00 0.00 O flip ATOM 631 NE2 GLN A 488 -13.663 10.573 -0.323 1.00 0.00 N flip ATOM 0 H GLN A 488 -9.795 9.984 -3.555 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.119 10.712 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.150 8.736 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.103 9.267 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.406 11.637 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -11.600 11.014 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.041 10.768 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -14.656 10.410 -0.159 1.00 0.00 H new ATOM 640 N THR A 489 -8.398 7.638 -1.814 1.00 0.00 N ATOM 641 CA THR A 489 -7.665 6.440 -1.423 1.00 0.00 C ATOM 642 C THR A 489 -6.240 6.786 -1.002 1.00 0.00 C ATOM 643 O THR A 489 -5.701 6.201 -0.062 1.00 0.00 O ATOM 644 CB THR A 489 -7.638 5.434 -2.576 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.951 5.151 -3.024 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.983 4.120 -2.208 1.00 0.00 C ATOM 0 H THR A 489 -8.736 7.630 -2.776 1.00 0.00 H new ATOM 0 HA THR A 489 -8.178 5.993 -0.571 1.00 0.00 H new ATOM 0 HB THR A 489 -7.047 5.908 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.299 5.919 -3.524 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.997 3.453 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.951 4.300 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.528 3.660 -1.384 1.00 0.00 H new ATOM 654 N VAL A 490 -5.636 7.738 -1.704 1.00 0.00 N ATOM 655 CA VAL A 490 -4.273 8.161 -1.404 1.00 0.00 C ATOM 656 C VAL A 490 -4.173 8.725 0.010 1.00 0.00 C ATOM 657 O VAL A 490 -3.243 8.409 0.751 1.00 0.00 O ATOM 658 CB VAL A 490 -3.781 9.223 -2.406 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.319 9.562 -2.154 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.986 8.745 -3.835 1.00 0.00 C ATOM 0 H VAL A 490 -6.069 8.232 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.641 7.277 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.369 10.129 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.991 10.314 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.205 9.952 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.712 8.663 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.633 9.508 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.426 7.823 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.046 8.560 -4.008 1.00 0.00 H new ATOM 670 N ASN A 491 -5.136 9.565 0.377 1.00 0.00 N ATOM 671 CA ASN A 491 -5.155 10.174 1.702 1.00 0.00 C ATOM 672 C ASN A 491 -5.226 9.108 2.791 1.00 0.00 C ATOM 673 O ASN A 491 -4.493 9.168 3.779 1.00 0.00 O ATOM 674 CB ASN A 491 -6.343 11.130 1.829 1.00 0.00 C ATOM 675 CG ASN A 491 -6.257 11.995 3.072 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.311 11.889 3.852 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.247 12.860 3.260 1.00 0.00 N ATOM 0 H ASN A 491 -5.913 9.839 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.230 10.736 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.388 11.769 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.268 10.555 1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.243 13.470 4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.012 12.914 2.587 1.00 0.00 H new ATOM 684 N VAL A 492 -6.111 8.135 2.604 1.00 0.00 N ATOM 685 CA VAL A 492 -6.277 7.057 3.571 1.00 0.00 C ATOM 686 C VAL A 492 -5.097 6.092 3.525 1.00 0.00 C ATOM 687 O VAL A 492 -4.565 5.694 4.562 1.00 0.00 O ATOM 688 CB VAL A 492 -7.579 6.273 3.320 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.810 5.250 4.422 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.761 7.223 3.208 1.00 0.00 C ATOM 0 H VAL A 492 -6.724 8.071 1.792 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.326 7.520 4.557 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.482 5.738 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.735 4.707 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.976 4.549 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.885 5.760 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.672 6.651 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.862 7.789 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.597 7.911 2.379 1.00 0.00 H new ATOM 700 N LEU A 493 -4.692 5.718 2.316 1.00 0.00 N ATOM 701 CA LEU A 493 -3.576 4.799 2.133 1.00 0.00 C ATOM 702 C LEU A 493 -2.280 5.401 2.665 1.00 0.00 C ATOM 703 O LEU A 493 -1.421 4.690 3.186 1.00 0.00 O ATOM 704 CB LEU A 493 -3.417 4.445 0.652 1.00 0.00 C ATOM 705 CG LEU A 493 -2.460 3.289 0.361 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.941 2.484 -0.837 1.00 0.00 C ATOM 707 CD2 LEU A 493 -1.051 3.811 0.122 1.00 0.00 C ATOM 0 H LEU A 493 -5.121 6.038 1.448 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.791 3.891 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.398 4.195 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.067 5.329 0.119 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.441 2.632 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.247 1.666 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.931 2.078 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.990 3.130 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.383 2.975 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -1.054 4.491 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.705 4.342 1.008 1.00 0.00 H new ATOM 719 N ALA A 494 -2.144 6.716 2.530 1.00 0.00 N ATOM 720 CA ALA A 494 -0.950 7.411 2.997 1.00 0.00 C ATOM 721 C ALA A 494 -0.877 7.417 4.521 1.00 0.00 C ATOM 722 O ALA A 494 0.205 7.320 5.099 1.00 0.00 O ATOM 723 CB ALA A 494 -0.926 8.834 2.460 1.00 0.00 C ATOM 0 H ALA A 494 -2.845 7.321 2.102 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.078 6.876 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.030 9.342 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.922 8.812 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.809 9.369 2.809 1.00 0.00 H new ATOM 729 N GLN A 495 -2.034 7.534 5.163 1.00 0.00 N ATOM 730 CA GLN A 495 -2.101 7.556 6.620 1.00 0.00 C ATOM 731 C GLN A 495 -1.994 6.149 7.200 1.00 0.00 C ATOM 732 O GLN A 495 -1.315 5.932 8.204 1.00 0.00 O ATOM 733 CB GLN A 495 -3.406 8.211 7.080 1.00 0.00 C ATOM 734 CG GLN A 495 -3.509 9.683 6.714 1.00 0.00 C ATOM 735 CD GLN A 495 -2.438 10.525 7.378 1.00 0.00 C ATOM 736 OE1 GLN A 495 -2.219 10.432 8.586 1.00 0.00 O ATOM 737 NE2 GLN A 495 -1.763 11.353 6.591 1.00 0.00 N ATOM 0 H GLN A 495 -2.938 7.615 4.698 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.256 8.140 6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.247 7.676 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.494 8.107 8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.432 9.791 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -4.491 10.057 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -1.977 11.398 5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.030 11.944 6.982 1.00 0.00 H new ATOM 746 N ILE A 496 -2.672 5.197 6.567 1.00 0.00 N ATOM 747 CA ILE A 496 -2.654 3.812 7.027 1.00 0.00 C ATOM 748 C ILE A 496 -1.232 3.257 7.043 1.00 0.00 C ATOM 749 O ILE A 496 -0.833 2.569 7.982 1.00 0.00 O ATOM 750 CB ILE A 496 -3.562 2.919 6.147 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.217 1.830 6.998 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.788 2.297 4.988 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.651 1.542 6.610 1.00 0.00 C ATOM 0 H ILE A 496 -3.240 5.358 5.735 1.00 0.00 H new ATOM 0 HA ILE A 496 -3.042 3.802 8.046 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.339 3.553 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.634 0.913 6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.186 2.130 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.459 1.677 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.373 3.087 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.978 1.682 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -6.052 0.760 7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -6.247 2.447 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.688 1.211 5.572 1.00 0.00 H new ATOM 765 N LEU A 497 -0.478 3.564 5.995 1.00 0.00 N ATOM 766 CA LEU A 497 0.900 3.098 5.880 1.00 0.00 C ATOM 767 C LEU A 497 1.743 3.585 7.055 1.00 0.00 C ATOM 768 O LEU A 497 2.644 2.884 7.516 1.00 0.00 O ATOM 769 CB LEU A 497 1.514 3.578 4.564 1.00 0.00 C ATOM 770 CG LEU A 497 0.985 2.881 3.310 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.448 3.610 2.059 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.435 1.428 3.279 1.00 0.00 C ATOM 0 H LEU A 497 -0.797 4.134 5.212 1.00 0.00 H new ATOM 0 HA LEU A 497 0.889 2.008 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.337 4.649 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.594 3.436 4.612 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.104 2.904 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.062 3.100 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.077 4.635 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.537 3.619 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.050 0.947 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.524 1.384 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.054 0.910 4.159 1.00 0.00 H new ATOM 784 N LYS A 498 1.447 4.789 7.534 1.00 0.00 N ATOM 785 CA LYS A 498 2.182 5.366 8.655 1.00 0.00 C ATOM 786 C LYS A 498 2.093 4.468 9.885 1.00 0.00 C ATOM 787 O LYS A 498 3.092 4.223 10.561 1.00 0.00 O ATOM 788 CB LYS A 498 1.640 6.758 8.986 1.00 0.00 C ATOM 789 CG LYS A 498 1.894 7.785 7.896 1.00 0.00 C ATOM 790 CD LYS A 498 1.429 9.170 8.316 1.00 0.00 C ATOM 791 CE LYS A 498 1.572 10.173 7.182 1.00 0.00 C ATOM 792 NZ LYS A 498 1.869 11.542 7.686 1.00 0.00 N ATOM 0 H LYS A 498 0.705 5.383 7.165 1.00 0.00 H new ATOM 0 HA LYS A 498 3.229 5.451 8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.567 6.688 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.095 7.105 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 498 2.958 7.813 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.375 7.486 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.387 9.124 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.010 9.505 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 498 2.369 9.852 6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.653 10.193 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 1.959 12.196 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 1.096 11.859 8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 2.760 11.529 8.223 1.00 0.00 H new ATOM 806 N ARG A 499 0.890 3.979 10.170 1.00 0.00 N ATOM 807 CA ARG A 499 0.672 3.108 11.318 1.00 0.00 C ATOM 808 C ARG A 499 1.393 1.776 11.136 1.00 0.00 C ATOM 809 O ARG A 499 1.970 1.236 12.080 1.00 0.00 O ATOM 810 CB ARG A 499 -0.824 2.866 11.525 1.00 0.00 C ATOM 811 CG ARG A 499 -1.601 4.125 11.877 1.00 0.00 C ATOM 812 CD ARG A 499 -3.056 3.813 12.185 1.00 0.00 C ATOM 813 NE ARG A 499 -3.856 5.027 12.334 1.00 0.00 N ATOM 814 CZ ARG A 499 -5.041 5.063 12.938 1.00 0.00 C ATOM 815 NH1 ARG A 499 -5.568 3.958 13.449 1.00 0.00 N ATOM 816 NH2 ARG A 499 -5.703 6.209 13.031 1.00 0.00 N ATOM 0 H ARG A 499 0.052 4.172 9.621 1.00 0.00 H new ATOM 0 HA ARG A 499 1.079 3.604 12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.243 2.433 10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.958 2.132 12.320 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -1.141 4.609 12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -1.547 4.831 11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.473 3.200 11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -3.115 3.225 13.101 1.00 0.00 H new ATOM 0 HE ARG A 499 -3.484 5.897 11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -5.064 3.074 13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -6.477 3.993 13.911 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.303 7.062 12.640 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -6.611 6.237 13.494 1.00 0.00 H new ATOM 830 N LEU A 500 1.358 1.253 9.915 1.00 0.00 N ATOM 831 CA LEU A 500 2.008 -0.016 9.607 1.00 0.00 C ATOM 832 C LEU A 500 3.523 0.102 9.734 1.00 0.00 C ATOM 833 O LEU A 500 4.192 -0.824 10.191 1.00 0.00 O ATOM 834 CB LEU A 500 1.637 -0.474 8.196 1.00 0.00 C ATOM 835 CG LEU A 500 2.202 -1.834 7.786 1.00 0.00 C ATOM 836 CD1 LEU A 500 1.477 -2.954 8.515 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.100 -2.021 6.279 1.00 0.00 C ATOM 0 H LEU A 500 0.886 1.688 9.122 1.00 0.00 H new ATOM 0 HA LEU A 500 1.659 -0.757 10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 500 0.551 -0.510 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 500 1.984 0.276 7.485 1.00 0.00 H new ATOM 0 HG LEU A 500 3.255 -1.869 8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.892 -3.915 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 500 1.602 -2.829 9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.416 -2.923 8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.507 -2.994 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.055 -1.966 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.666 -1.237 5.776 1.00 0.00 H new ATOM 849 N ASN A 501 4.056 1.248 9.327 1.00 0.00 N ATOM 850 CA ASN A 501 5.493 1.492 9.393 1.00 0.00 C ATOM 851 C ASN A 501 6.263 0.428 8.612 1.00 0.00 C ATOM 852 O ASN A 501 7.165 -0.218 9.146 1.00 0.00 O ATOM 853 CB ASN A 501 5.960 1.513 10.850 1.00 0.00 C ATOM 854 CG ASN A 501 7.184 2.384 11.053 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.077 3.601 11.202 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.358 1.762 11.059 1.00 0.00 N ATOM 0 H ASN A 501 3.514 2.024 8.947 1.00 0.00 H new ATOM 0 HA ASN A 501 5.694 2.463 8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.150 1.876 11.483 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.184 0.496 11.171 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.217 2.296 11.191 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.400 0.751 10.932 1.00 0.00 H new ATOM 863 N PRO A 502 5.915 0.231 7.328 1.00 0.00 N ATOM 864 CA PRO A 502 6.578 -0.760 6.474 1.00 0.00 C ATOM 865 C PRO A 502 8.004 -0.356 6.117 1.00 0.00 C ATOM 866 O PRO A 502 8.298 0.825 5.930 1.00 0.00 O ATOM 867 CB PRO A 502 5.701 -0.791 5.220 1.00 0.00 C ATOM 868 CG PRO A 502 5.054 0.550 5.177 1.00 0.00 C ATOM 869 CD PRO A 502 4.851 0.958 6.611 1.00 0.00 C ATOM 0 HA PRO A 502 6.672 -1.727 6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.296 -0.972 4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 502 4.959 -1.587 5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.682 1.270 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.104 0.508 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 502 4.945 2.036 6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 502 3.861 0.679 6.972 1.00 0.00 H new ATOM 877 N GLU A 503 8.887 -1.345 6.022 1.00 0.00 N ATOM 878 CA GLU A 503 10.284 -1.094 5.685 1.00 0.00 C ATOM 879 C GLU A 503 10.403 -0.449 4.308 1.00 0.00 C ATOM 880 O GLU A 503 9.602 -0.719 3.413 1.00 0.00 O ATOM 881 CB GLU A 503 11.081 -2.399 5.721 1.00 0.00 C ATOM 882 CG GLU A 503 11.109 -3.058 7.091 1.00 0.00 C ATOM 883 CD GLU A 503 11.963 -4.309 7.121 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.342 -4.797 6.035 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.255 -4.802 8.231 1.00 0.00 O ATOM 0 H GLU A 503 8.660 -2.328 6.174 1.00 0.00 H new ATOM 0 HA GLU A 503 10.693 -0.406 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.653 -3.096 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.104 -2.199 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 503 11.489 -2.346 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.091 -3.311 7.389 1.00 0.00 H new ATOM 892 N ARG A 504 11.408 0.406 4.145 1.00 0.00 N ATOM 893 CA ARG A 504 11.632 1.090 2.876 1.00 0.00 C ATOM 894 C ARG A 504 12.930 0.623 2.228 1.00 0.00 C ATOM 895 O ARG A 504 13.934 0.405 2.907 1.00 0.00 O ATOM 896 CB ARG A 504 11.671 2.604 3.089 1.00 0.00 C ATOM 897 CG ARG A 504 12.792 3.059 4.010 1.00 0.00 C ATOM 898 CD ARG A 504 12.709 4.550 4.293 1.00 0.00 C ATOM 899 NE ARG A 504 13.112 5.350 3.138 1.00 0.00 N ATOM 900 CZ ARG A 504 14.362 5.420 2.685 1.00 0.00 C ATOM 901 NH1 ARG A 504 15.333 4.741 3.284 1.00 0.00 N ATOM 902 NH2 ARG A 504 14.643 6.171 1.629 1.00 0.00 N ATOM 0 H ARG A 504 12.080 0.642 4.875 1.00 0.00 H new ATOM 0 HA ARG A 504 10.805 0.845 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 504 11.783 3.096 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.717 2.929 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.741 2.506 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 504 13.755 2.827 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.689 4.809 4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.346 4.794 5.143 1.00 0.00 H new ATOM 0 HE ARG A 504 12.394 5.886 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 504 15.124 4.161 4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 504 16.288 4.799 2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 504 13.902 6.695 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.601 6.225 1.282 1.00 0.00 H new ATOM 916 N LYS A 505 12.905 0.471 0.907 1.00 0.00 N ATOM 917 CA LYS A 505 14.080 0.030 0.165 1.00 0.00 C ATOM 918 C LYS A 505 14.338 0.941 -1.032 1.00 0.00 C ATOM 919 O LYS A 505 13.403 1.442 -1.656 1.00 0.00 O ATOM 920 CB LYS A 505 13.900 -1.414 -0.307 1.00 0.00 C ATOM 921 CG LYS A 505 13.602 -2.389 0.820 1.00 0.00 C ATOM 922 CD LYS A 505 14.766 -2.488 1.793 1.00 0.00 C ATOM 923 CE LYS A 505 14.544 -3.589 2.817 1.00 0.00 C ATOM 924 NZ LYS A 505 15.829 -4.119 3.350 1.00 0.00 N ATOM 0 H LYS A 505 12.083 0.647 0.329 1.00 0.00 H new ATOM 0 HA LYS A 505 14.941 0.081 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.088 -1.452 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.805 -1.734 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 505 12.707 -2.068 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.389 -3.374 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 505 15.686 -2.682 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.896 -1.534 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 505 13.941 -3.204 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.978 -4.401 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 15.634 -4.868 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 16.394 -4.510 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 16.358 -3.350 3.809 1.00 0.00 H new ATOM 938 N MET A 506 15.613 1.149 -1.348 1.00 0.00 N ATOM 939 CA MET A 506 15.993 1.999 -2.470 1.00 0.00 C ATOM 940 C MET A 506 16.546 1.164 -3.621 1.00 0.00 C ATOM 941 O MET A 506 17.716 0.781 -3.617 1.00 0.00 O ATOM 942 CB MET A 506 17.032 3.030 -2.026 1.00 0.00 C ATOM 943 CG MET A 506 17.335 4.080 -3.082 1.00 0.00 C ATOM 944 SD MET A 506 18.700 5.162 -2.613 1.00 0.00 S ATOM 945 CE MET A 506 18.008 5.974 -1.173 1.00 0.00 C ATOM 0 H MET A 506 16.399 0.741 -0.843 1.00 0.00 H new ATOM 0 HA MET A 506 15.101 2.520 -2.819 1.00 0.00 H new ATOM 0 HB2 MET A 506 16.676 3.526 -1.123 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.955 2.514 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 506 17.576 3.585 -4.023 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.443 4.682 -3.257 1.00 0.00 H new ATOM 0 HE1 MET A 506 18.607 6.851 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 506 16.984 6.282 -1.386 1.00 0.00 H new ATOM 0 HE3 MET A 506 18.011 5.284 -0.329 1.00 0.00 H new ATOM 955 N ILE A 507 15.698 0.889 -4.607 1.00 0.00 N ATOM 956 CA ILE A 507 16.102 0.103 -5.766 1.00 0.00 C ATOM 957 C ILE A 507 15.945 0.905 -7.053 1.00 0.00 C ATOM 958 O ILE A 507 14.858 1.395 -7.362 1.00 0.00 O ATOM 959 CB ILE A 507 15.279 -1.196 -5.878 1.00 0.00 C ATOM 960 CG1 ILE A 507 15.295 -1.953 -4.548 1.00 0.00 C ATOM 961 CG2 ILE A 507 15.818 -2.073 -6.998 1.00 0.00 C ATOM 962 CD1 ILE A 507 14.404 -3.176 -4.538 1.00 0.00 C ATOM 0 H ILE A 507 14.727 1.199 -4.626 1.00 0.00 H new ATOM 0 HA ILE A 507 17.152 -0.153 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 507 14.248 -0.934 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 507 16.318 -2.257 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.981 -1.278 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 507 15.225 -2.986 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 507 15.758 -1.534 -7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 507 16.857 -2.329 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 507 14.465 -3.663 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 507 13.374 -2.877 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 507 14.731 -3.871 -5.312 1.00 0.00 H new ATOM 974 N ASN A 508 17.035 1.035 -7.801 1.00 0.00 N ATOM 975 CA ASN A 508 17.018 1.779 -9.055 1.00 0.00 C ATOM 976 C ASN A 508 16.564 3.218 -8.829 1.00 0.00 C ATOM 977 O ASN A 508 15.775 3.761 -9.602 1.00 0.00 O ATOM 978 CB ASN A 508 16.097 1.093 -10.066 1.00 0.00 C ATOM 979 CG ASN A 508 16.351 1.557 -11.488 1.00 0.00 C ATOM 980 OD1 ASN A 508 17.438 1.363 -12.031 1.00 0.00 O ATOM 981 ND2 ASN A 508 15.345 2.174 -12.096 1.00 0.00 N ATOM 0 H ASN A 508 17.942 0.635 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 508 18.033 1.797 -9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 508 16.238 0.014 -10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.059 1.293 -9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 508 15.456 2.509 -13.053 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.461 2.313 -11.606 1.00 0.00 H new ATOM 988 N ASP A 509 17.065 3.829 -7.760 1.00 0.00 N ATOM 989 CA ASP A 509 16.711 5.205 -7.428 1.00 0.00 C ATOM 990 C ASP A 509 15.206 5.344 -7.221 1.00 0.00 C ATOM 991 O ASP A 509 14.613 6.363 -7.572 1.00 0.00 O ATOM 992 CB ASP A 509 17.176 6.155 -8.534 1.00 0.00 C ATOM 993 CG ASP A 509 18.685 6.194 -8.667 1.00 0.00 C ATOM 994 OD1 ASP A 509 19.376 5.756 -7.723 1.00 0.00 O ATOM 995 OD2 ASP A 509 19.176 6.662 -9.716 1.00 0.00 O ATOM 0 H ASP A 509 17.718 3.393 -7.109 1.00 0.00 H new ATOM 0 HA ASP A 509 17.214 5.469 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.738 5.845 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.806 7.159 -8.326 1.00 0.00 H new ATOM 1000 N LYS A 510 14.596 4.312 -6.646 1.00 0.00 N ATOM 1001 CA LYS A 510 13.161 4.317 -6.391 1.00 0.00 C ATOM 1002 C LYS A 510 12.856 3.781 -4.996 1.00 0.00 C ATOM 1003 O LYS A 510 13.532 2.876 -4.507 1.00 0.00 O ATOM 1004 CB LYS A 510 12.430 3.479 -7.443 1.00 0.00 C ATOM 1005 CG LYS A 510 11.927 4.291 -8.626 1.00 0.00 C ATOM 1006 CD LYS A 510 13.016 4.491 -9.668 1.00 0.00 C ATOM 1007 CE LYS A 510 12.467 5.132 -10.932 1.00 0.00 C ATOM 1008 NZ LYS A 510 12.110 6.563 -10.719 1.00 0.00 N ATOM 0 H LYS A 510 15.074 3.462 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 510 12.810 5.347 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.101 2.701 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.585 2.977 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 510 11.076 3.784 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.572 5.261 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 510 13.806 5.118 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 510 13.468 3.530 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 510 13.208 5.057 -11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.586 4.583 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 11.740 6.964 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 11.385 6.633 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.956 7.092 -10.427 1.00 0.00 H new ATOM 1022 N MET A 511 11.835 4.346 -4.359 1.00 0.00 N ATOM 1023 CA MET A 511 11.443 3.925 -3.020 1.00 0.00 C ATOM 1024 C MET A 511 10.466 2.755 -3.082 1.00 0.00 C ATOM 1025 O MET A 511 9.434 2.829 -3.750 1.00 0.00 O ATOM 1026 CB MET A 511 10.811 5.092 -2.260 1.00 0.00 C ATOM 1027 CG MET A 511 11.775 6.238 -1.995 1.00 0.00 C ATOM 1028 SD MET A 511 11.062 7.515 -0.939 1.00 0.00 S ATOM 1029 CE MET A 511 11.059 6.682 0.646 1.00 0.00 C ATOM 0 H MET A 511 11.265 5.096 -4.749 1.00 0.00 H new ATOM 0 HA MET A 511 12.339 3.599 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.961 5.468 -2.829 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.422 4.728 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 511 12.678 5.847 -1.527 1.00 0.00 H new ATOM 0 HG3 MET A 511 12.075 6.682 -2.944 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.046 6.360 0.886 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.715 5.813 0.601 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.414 7.366 1.417 1.00 0.00 H new ATOM 1039 N HIS A 512 10.798 1.676 -2.381 1.00 0.00 N ATOM 1040 CA HIS A 512 9.950 0.488 -2.355 1.00 0.00 C ATOM 1041 C HIS A 512 9.648 0.068 -0.920 1.00 0.00 C ATOM 1042 O HIS A 512 10.452 0.291 -0.015 1.00 0.00 O ATOM 1043 CB HIS A 512 10.623 -0.661 -3.105 1.00 0.00 C ATOM 1044 CG HIS A 512 10.763 -0.416 -4.576 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.820 0.277 -5.127 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.972 -0.778 -5.613 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.672 0.333 -6.438 1.00 0.00 C ATOM 1048 NE2 HIS A 512 10.559 -0.300 -6.759 1.00 0.00 N ATOM 0 H HIS A 512 11.648 1.599 -1.823 1.00 0.00 H new ATOM 0 HA HIS A 512 9.009 0.732 -2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.611 -0.833 -2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 512 10.046 -1.572 -2.950 1.00 0.00 H new ATOM 0 HD1 HIS A 512 12.595 0.683 -4.603 1.00 0.00 H new ATOM 0 HD2 HIS A 512 9.051 -1.338 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS A 512 12.347 0.815 -7.130 1.00 0.00 H new ATOM 1057 N PHE A 513 8.485 -0.543 -0.719 1.00 0.00 N ATOM 1058 CA PHE A 513 8.079 -0.996 0.607 1.00 0.00 C ATOM 1059 C PHE A 513 8.069 -2.519 0.683 1.00 0.00 C ATOM 1060 O PHE A 513 7.437 -3.187 -0.136 1.00 0.00 O ATOM 1061 CB PHE A 513 6.694 -0.447 0.953 1.00 0.00 C ATOM 1062 CG PHE A 513 6.651 1.051 1.058 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.990 1.685 2.242 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.272 1.825 -0.028 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.952 3.063 2.342 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.233 3.202 0.066 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.573 3.823 1.252 1.00 0.00 C ATOM 0 H PHE A 513 7.807 -0.736 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 513 8.803 -0.620 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.984 -0.770 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.367 -0.879 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.287 1.096 3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.004 1.346 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.218 3.545 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.937 3.793 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.543 4.900 1.327 1.00 0.00 H new ATOM 1077 N SER A 514 8.772 -3.062 1.672 1.00 0.00 N ATOM 1078 CA SER A 514 8.843 -4.508 1.854 1.00 0.00 C ATOM 1079 C SER A 514 8.440 -4.898 3.273 1.00 0.00 C ATOM 1080 O SER A 514 8.720 -4.175 4.229 1.00 0.00 O ATOM 1081 CB SER A 514 10.257 -5.011 1.558 1.00 0.00 C ATOM 1082 OG SER A 514 10.653 -4.675 0.239 1.00 0.00 O ATOM 0 H SER A 514 9.300 -2.524 2.359 1.00 0.00 H new ATOM 0 HA SER A 514 8.146 -4.972 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.957 -4.578 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.296 -6.092 1.688 1.00 0.00 H new ATOM 0 HG SER A 514 11.561 -5.006 0.076 1.00 0.00 H new ATOM 1088 N LEU A 515 7.781 -6.045 3.401 1.00 0.00 N ATOM 1089 CA LEU A 515 7.340 -6.532 4.702 1.00 0.00 C ATOM 1090 C LEU A 515 7.780 -7.976 4.922 1.00 0.00 C ATOM 1091 O LEU A 515 7.889 -8.754 3.975 1.00 0.00 O ATOM 1092 CB LEU A 515 5.818 -6.429 4.821 1.00 0.00 C ATOM 1093 CG LEU A 515 5.297 -5.077 5.309 1.00 0.00 C ATOM 1094 CD1 LEU A 515 3.800 -4.966 5.073 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.624 -4.884 6.782 1.00 0.00 C ATOM 0 H LEU A 515 7.541 -6.654 2.619 1.00 0.00 H new ATOM 0 HA LEU A 515 7.801 -5.909 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.378 -6.641 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.469 -7.204 5.504 1.00 0.00 H new ATOM 0 HG LEU A 515 5.791 -4.289 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.447 -3.997 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 515 3.592 -5.061 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.286 -5.760 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.247 -3.917 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.156 -5.677 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.704 -4.920 6.923 1.00 0.00 H new ATOM 1107 N LYS A 516 8.031 -8.327 6.179 1.00 0.00 N ATOM 1108 CA LYS A 516 8.459 -9.677 6.525 1.00 0.00 C ATOM 1109 C LYS A 516 7.487 -10.321 7.510 1.00 0.00 C ATOM 1110 O LYS A 516 7.594 -10.129 8.720 1.00 0.00 O ATOM 1111 CB LYS A 516 9.868 -9.653 7.120 1.00 0.00 C ATOM 1112 CG LYS A 516 10.031 -8.663 8.264 1.00 0.00 C ATOM 1113 CD LYS A 516 11.488 -8.513 8.668 1.00 0.00 C ATOM 1114 CE LYS A 516 11.633 -7.678 9.930 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.844 -6.812 9.888 1.00 0.00 N ATOM 0 H LYS A 516 7.945 -7.695 6.975 1.00 0.00 H new ATOM 0 HA LYS A 516 8.470 -10.272 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.119 -10.652 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.581 -9.407 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 516 9.633 -7.693 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 516 9.447 -8.997 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 516 11.925 -9.498 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 516 12.046 -8.047 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 516 10.747 -7.056 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 516 11.688 -8.337 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.972 -6.349 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.679 -7.393 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 12.728 -6.088 9.151 1.00 0.00 H new ATOM 1129 N GLU A 517 6.538 -11.086 6.980 1.00 0.00 N ATOM 1130 CA GLU A 517 5.547 -11.760 7.810 1.00 0.00 C ATOM 1131 C GLU A 517 5.827 -13.257 7.886 1.00 0.00 C ATOM 1132 O GLU A 517 5.435 -13.880 8.896 1.00 0.00 O ATOM 1133 CB GLU A 517 4.140 -11.519 7.259 1.00 0.00 C ATOM 1134 CG GLU A 517 3.037 -12.081 8.141 1.00 0.00 C ATOM 1135 CD GLU A 517 1.658 -11.918 7.528 1.00 0.00 C ATOM 1136 OE1 GLU A 517 1.567 -11.405 6.393 1.00 0.00 O ATOM 1137 OE2 GLU A 517 0.668 -12.304 8.185 1.00 0.00 O ATOM 1138 OXT GLU A 517 6.434 -13.793 6.936 1.00 0.00 O ATOM 0 H GLU A 517 6.435 -11.254 5.979 1.00 0.00 H new ATOM 0 HA GLU A 517 5.611 -11.346 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 517 3.985 -10.447 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.065 -11.967 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 517 3.227 -13.139 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.061 -11.581 9.109 1.00 0.00 H new TER 1145 GLU A 517