USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=18 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 Single : A 453 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc=0.000681 USER MOD Single : A 462 TYR OH : rot -135:sc= -0.0369 USER MOD Single : A 464 THR OG1 : rot 30:sc= -0.844 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -159:sc= -2.34! (180deg=-2.95) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.0257 K(o=-0.026,f=-0.74) USER MOD Single : A 479 THR OG1 : rot 55:sc= 0.409 USER MOD Single : A 480 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0735) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot -65:sc=-0.000632 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= 0.26 K(o=0.26,f=-2.7!) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.11) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 498 LYS NZ :NH3+ -131:sc= -0.201 (180deg=-1.34!) USER MOD Single : A 501 ASN : amide:sc=-0.00853 K(o=-0.0085,f=-1.3) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -165:sc= -0.0277 (180deg=-0.348) USER MOD Single : A 508 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -164:sc= -0.136 (180deg=-0.551) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -0.885 F(o=-2.1,f=-0.88) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ -165:sc= -0.0184 (180deg=-0.247) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -20.256 -1.811 4.562 1.00 0.00 N ATOM 2 CA ASP A 451 -19.408 -1.463 3.391 1.00 0.00 C ATOM 3 C ASP A 451 -17.954 -1.862 3.625 1.00 0.00 C ATOM 4 O ASP A 451 -17.527 -2.048 4.765 1.00 0.00 O ATOM 5 CB ASP A 451 -19.509 0.043 3.146 1.00 0.00 C ATOM 6 CG ASP A 451 -18.830 0.467 1.859 1.00 0.00 C ATOM 7 OD1 ASP A 451 -18.570 -0.409 1.007 1.00 0.00 O ATOM 8 OD2 ASP A 451 -18.557 1.676 1.702 1.00 0.00 O ATOM 0 HA ASP A 451 -19.762 -2.011 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -20.559 0.333 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -19.058 0.575 3.984 1.00 0.00 H new ATOM 12 N VAL A 452 -17.200 -1.993 2.539 1.00 0.00 N ATOM 13 CA VAL A 452 -15.796 -2.371 2.625 1.00 0.00 C ATOM 14 C VAL A 452 -14.887 -1.184 2.321 1.00 0.00 C ATOM 15 O VAL A 452 -15.168 -0.387 1.425 1.00 0.00 O ATOM 16 CB VAL A 452 -15.466 -3.523 1.655 1.00 0.00 C ATOM 17 CG1 VAL A 452 -15.679 -3.092 0.211 1.00 0.00 C ATOM 18 CG2 VAL A 452 -14.040 -4.012 1.870 1.00 0.00 C ATOM 0 H VAL A 452 -17.539 -1.843 1.589 1.00 0.00 H new ATOM 0 HA VAL A 452 -15.619 -2.705 3.647 1.00 0.00 H new ATOM 0 HB VAL A 452 -16.145 -4.350 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -15.440 -3.921 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -16.719 -2.800 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -15.030 -2.246 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -13.826 -4.825 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -13.344 -3.192 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -13.928 -4.369 2.894 1.00 0.00 H new ATOM 28 N GLN A 453 -13.798 -1.070 3.074 1.00 0.00 N ATOM 29 CA GLN A 453 -12.848 0.020 2.886 1.00 0.00 C ATOM 30 C GLN A 453 -11.414 -0.476 3.039 1.00 0.00 C ATOM 31 O GLN A 453 -11.174 -1.557 3.576 1.00 0.00 O ATOM 32 CB GLN A 453 -13.122 1.142 3.889 1.00 0.00 C ATOM 33 CG GLN A 453 -12.914 0.729 5.337 1.00 0.00 C ATOM 34 CD GLN A 453 -13.229 1.845 6.314 1.00 0.00 C ATOM 35 OE1 GLN A 453 -12.393 2.708 6.578 1.00 0.00 O ATOM 36 NE2 GLN A 453 -14.441 1.833 6.855 1.00 0.00 N ATOM 0 H GLN A 453 -13.551 -1.720 3.821 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.973 0.408 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -12.470 1.986 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -14.148 1.488 3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.545 -0.132 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -11.881 0.411 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -15.103 1.098 6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -14.710 2.559 7.519 1.00 0.00 H new ATOM 45 N VAL A 454 -10.463 0.322 2.565 1.00 0.00 N ATOM 46 CA VAL A 454 -9.053 -0.036 2.649 1.00 0.00 C ATOM 47 C VAL A 454 -8.588 -0.093 4.100 1.00 0.00 C ATOM 48 O VAL A 454 -8.836 0.828 4.878 1.00 0.00 O ATOM 49 CB VAL A 454 -8.171 0.966 1.880 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.732 0.478 1.822 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.721 1.195 0.480 1.00 0.00 C ATOM 0 H VAL A 454 -10.644 1.221 2.119 1.00 0.00 H new ATOM 0 HA VAL A 454 -8.950 -1.022 2.196 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.185 1.917 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.125 1.199 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.343 0.370 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.695 -0.486 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.086 1.905 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.739 0.250 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.733 1.594 0.547 1.00 0.00 H new ATOM 61 N THR A 455 -7.914 -1.180 4.458 1.00 0.00 N ATOM 62 CA THR A 455 -7.414 -1.358 5.817 1.00 0.00 C ATOM 63 C THR A 455 -5.915 -1.631 5.813 1.00 0.00 C ATOM 64 O THR A 455 -5.351 -2.042 4.798 1.00 0.00 O ATOM 65 CB THR A 455 -8.152 -2.507 6.508 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.733 -3.756 5.988 1.00 0.00 O ATOM 67 CG2 THR A 455 -9.656 -2.427 6.357 1.00 0.00 C ATOM 0 H THR A 455 -7.701 -1.952 3.826 1.00 0.00 H new ATOM 0 HA THR A 455 -7.595 -0.435 6.368 1.00 0.00 H new ATOM 0 HB THR A 455 -7.904 -2.417 7.566 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.215 -4.478 6.443 1.00 0.00 H new ATOM 0 HG21 THR A 455 -10.119 -3.271 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 455 -10.016 -1.495 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 455 -9.918 -2.457 5.299 1.00 0.00 H new ATOM 75 N GLU A 456 -5.272 -1.401 6.954 1.00 0.00 N ATOM 76 CA GLU A 456 -3.837 -1.624 7.081 1.00 0.00 C ATOM 77 C GLU A 456 -3.490 -3.087 6.821 1.00 0.00 C ATOM 78 O GLU A 456 -2.478 -3.391 6.190 1.00 0.00 O ATOM 79 CB GLU A 456 -3.358 -1.213 8.474 1.00 0.00 C ATOM 80 CG GLU A 456 -1.848 -1.287 8.644 1.00 0.00 C ATOM 81 CD GLU A 456 -1.402 -0.969 10.059 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.276 -0.734 10.921 1.00 0.00 O ATOM 83 OE2 GLU A 456 -0.178 -0.955 10.306 1.00 0.00 O ATOM 0 H GLU A 456 -5.723 -1.060 7.803 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.331 -1.011 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.689 -0.195 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -3.831 -1.856 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.505 -2.286 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.374 -0.590 7.953 1.00 0.00 H new ATOM 90 N ASP A 457 -4.335 -3.987 7.311 1.00 0.00 N ATOM 91 CA ASP A 457 -4.118 -5.418 7.132 1.00 0.00 C ATOM 92 C ASP A 457 -4.076 -5.781 5.651 1.00 0.00 C ATOM 93 O ASP A 457 -3.289 -6.630 5.232 1.00 0.00 O ATOM 94 CB ASP A 457 -5.220 -6.214 7.833 1.00 0.00 C ATOM 95 CG ASP A 457 -4.932 -7.702 7.860 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.772 -8.089 7.602 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.867 -8.483 8.139 1.00 0.00 O ATOM 0 H ASP A 457 -5.177 -3.751 7.836 1.00 0.00 H new ATOM 0 HA ASP A 457 -3.156 -5.673 7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.333 -5.850 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -6.169 -6.040 7.326 1.00 0.00 H new ATOM 102 N ALA A 458 -4.928 -5.133 4.863 1.00 0.00 N ATOM 103 CA ALA A 458 -4.987 -5.389 3.429 1.00 0.00 C ATOM 104 C ALA A 458 -3.688 -4.980 2.744 1.00 0.00 C ATOM 105 O ALA A 458 -3.184 -5.689 1.873 1.00 0.00 O ATOM 106 CB ALA A 458 -6.167 -4.654 2.811 1.00 0.00 C ATOM 0 H ALA A 458 -5.586 -4.427 5.193 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.122 -6.460 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.200 -4.854 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.092 -4.998 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.056 -3.582 2.977 1.00 0.00 H new ATOM 112 N VAL A 459 -3.151 -3.833 3.142 1.00 0.00 N ATOM 113 CA VAL A 459 -1.909 -3.329 2.567 1.00 0.00 C ATOM 114 C VAL A 459 -0.742 -4.257 2.887 1.00 0.00 C ATOM 115 O VAL A 459 0.104 -4.523 2.033 1.00 0.00 O ATOM 116 CB VAL A 459 -1.585 -1.915 3.082 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.371 -1.345 2.361 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.788 -0.998 2.918 1.00 0.00 C ATOM 0 H VAL A 459 -3.556 -3.234 3.861 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.052 -3.288 1.487 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.349 -1.983 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.159 -0.345 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.491 -1.989 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.575 -1.292 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.540 -0.003 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.058 -0.937 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.629 -1.396 3.485 1.00 0.00 H new ATOM 128 N ARG A 460 -0.701 -4.743 4.123 1.00 0.00 N ATOM 129 CA ARG A 460 0.363 -5.641 4.557 1.00 0.00 C ATOM 130 C ARG A 460 0.390 -6.906 3.707 1.00 0.00 C ATOM 131 O ARG A 460 1.456 -7.449 3.417 1.00 0.00 O ATOM 132 CB ARG A 460 0.179 -6.008 6.031 1.00 0.00 C ATOM 133 CG ARG A 460 0.306 -4.822 6.974 1.00 0.00 C ATOM 134 CD ARG A 460 0.023 -5.223 8.412 1.00 0.00 C ATOM 135 NE ARG A 460 1.057 -6.102 8.950 1.00 0.00 N ATOM 136 CZ ARG A 460 0.964 -6.728 10.121 1.00 0.00 C ATOM 137 NH1 ARG A 460 -0.115 -6.574 10.879 1.00 0.00 N ATOM 138 NH2 ARG A 460 1.950 -7.511 10.535 1.00 0.00 N ATOM 0 H ARG A 460 -1.392 -4.530 4.842 1.00 0.00 H new ATOM 0 HA ARG A 460 1.314 -5.122 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.802 -6.463 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 460 0.919 -6.760 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.310 -4.404 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -0.388 -4.038 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.049 -4.328 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.943 -5.725 8.465 1.00 0.00 H new ATOM 0 HE ARG A 460 1.901 -6.245 8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.878 -5.974 10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.181 -7.056 11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 460 2.781 -7.634 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 460 1.878 -7.990 11.432 1.00 0.00 H new ATOM 152 N ARG A 461 -0.790 -7.373 3.311 1.00 0.00 N ATOM 153 CA ARG A 461 -0.904 -8.577 2.495 1.00 0.00 C ATOM 154 C ARG A 461 -0.138 -8.427 1.184 1.00 0.00 C ATOM 155 O ARG A 461 0.549 -9.349 0.747 1.00 0.00 O ATOM 156 CB ARG A 461 -2.374 -8.885 2.206 1.00 0.00 C ATOM 157 CG ARG A 461 -2.595 -10.235 1.544 1.00 0.00 C ATOM 158 CD ARG A 461 -4.073 -10.526 1.343 1.00 0.00 C ATOM 159 NE ARG A 461 -4.620 -9.819 0.187 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.122 -8.585 0.235 1.00 0.00 C ATOM 161 NH1 ARG A 461 -5.149 -7.912 1.379 1.00 0.00 N ATOM 162 NH2 ARG A 461 -5.600 -8.023 -0.867 1.00 0.00 N ATOM 0 H ARG A 461 -1.682 -6.935 3.542 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.468 -9.404 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.934 -8.852 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.781 -8.104 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.085 -10.256 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.150 -11.018 2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.216 -11.599 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.624 -10.237 2.238 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.618 -10.300 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -4.784 -8.339 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -5.535 -6.968 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -5.583 -8.535 -1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -5.985 -7.079 -0.832 1.00 0.00 H new ATOM 176 N TYR A 462 -0.261 -7.259 0.562 1.00 0.00 N ATOM 177 CA TYR A 462 0.420 -6.990 -0.699 1.00 0.00 C ATOM 178 C TYR A 462 1.926 -6.865 -0.492 1.00 0.00 C ATOM 179 O TYR A 462 2.716 -7.409 -1.264 1.00 0.00 O ATOM 180 CB TYR A 462 -0.126 -5.711 -1.335 1.00 0.00 C ATOM 181 CG TYR A 462 -1.601 -5.778 -1.663 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.053 -6.460 -2.786 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.542 -5.160 -0.849 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.400 -6.523 -3.088 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.891 -5.219 -1.144 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.313 -5.901 -2.264 1.00 0.00 C ATOM 187 OH TYR A 462 -5.656 -5.962 -2.563 1.00 0.00 O ATOM 0 H TYR A 462 -0.826 -6.484 0.910 1.00 0.00 H new ATOM 0 HA TYR A 462 0.233 -7.830 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.049 -4.875 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.431 -5.503 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.340 -6.949 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.214 -4.624 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.735 -7.057 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.610 -4.733 -0.500 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.057 -5.075 -2.451 1.00 0.00 H new ATOM 197 N LEU A 463 2.317 -6.146 0.554 1.00 0.00 N ATOM 198 CA LEU A 463 3.728 -5.948 0.862 1.00 0.00 C ATOM 199 C LEU A 463 4.381 -7.254 1.302 1.00 0.00 C ATOM 200 O LEU A 463 5.552 -7.503 1.013 1.00 0.00 O ATOM 201 CB LEU A 463 3.890 -4.891 1.957 1.00 0.00 C ATOM 202 CG LEU A 463 3.320 -3.513 1.614 1.00 0.00 C ATOM 203 CD1 LEU A 463 3.345 -2.607 2.835 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.096 -2.886 0.466 1.00 0.00 C ATOM 0 H LEU A 463 1.676 -5.690 1.203 1.00 0.00 H new ATOM 0 HA LEU A 463 4.224 -5.603 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.406 -5.252 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 463 4.951 -4.783 2.183 1.00 0.00 H new ATOM 0 HG LEU A 463 2.284 -3.637 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.936 -1.631 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.745 -3.050 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 463 4.372 -2.489 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 463 3.677 -1.907 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.142 -2.775 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.026 -3.527 -0.413 1.00 0.00 H new ATOM 216 N THR A 464 3.618 -8.086 2.003 1.00 0.00 N ATOM 217 CA THR A 464 4.123 -9.365 2.482 1.00 0.00 C ATOM 218 C THR A 464 4.491 -10.278 1.317 1.00 0.00 C ATOM 219 O THR A 464 5.413 -11.087 1.417 1.00 0.00 O ATOM 220 CB THR A 464 3.080 -10.045 3.369 1.00 0.00 C ATOM 221 OG1 THR A 464 1.777 -9.849 2.850 1.00 0.00 O ATOM 222 CG2 THR A 464 3.088 -9.541 4.796 1.00 0.00 C ATOM 0 H THR A 464 2.647 -7.896 2.252 1.00 0.00 H new ATOM 0 HA THR A 464 5.023 -9.176 3.067 1.00 0.00 H new ATOM 0 HB THR A 464 3.348 -11.101 3.373 1.00 0.00 H new ATOM 0 HG1 THR A 464 1.821 -9.776 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.324 -10.065 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.066 -9.724 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 464 2.879 -8.471 4.805 1.00 0.00 H new ATOM 230 N ARG A 465 3.765 -10.142 0.212 1.00 0.00 N ATOM 231 CA ARG A 465 4.017 -10.955 -0.972 1.00 0.00 C ATOM 232 C ARG A 465 5.175 -10.389 -1.784 1.00 0.00 C ATOM 233 O ARG A 465 6.145 -11.088 -2.073 1.00 0.00 O ATOM 234 CB ARG A 465 2.759 -11.037 -1.839 1.00 0.00 C ATOM 235 CG ARG A 465 1.667 -11.910 -1.245 1.00 0.00 C ATOM 236 CD ARG A 465 0.477 -12.029 -2.182 1.00 0.00 C ATOM 237 NE ARG A 465 -0.326 -13.218 -1.901 1.00 0.00 N ATOM 238 CZ ARG A 465 -1.096 -13.355 -0.824 1.00 0.00 C ATOM 239 NH1 ARG A 465 -1.173 -12.381 0.073 1.00 0.00 N ATOM 240 NH2 ARG A 465 -1.791 -14.471 -0.646 1.00 0.00 N ATOM 0 H ARG A 465 2.998 -9.477 0.112 1.00 0.00 H new ATOM 0 HA ARG A 465 4.286 -11.958 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.366 -10.032 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.029 -11.425 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.067 -12.902 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.341 -11.490 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -0.147 -11.140 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 465 0.830 -12.065 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 465 -0.294 -13.988 -2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -0.640 -11.521 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -1.765 -12.492 0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -1.735 -15.222 -1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -2.382 -14.578 0.179 1.00 0.00 H new ATOM 254 N LYS A 466 5.063 -9.120 -2.146 1.00 0.00 N ATOM 255 CA LYS A 466 6.099 -8.450 -2.924 1.00 0.00 C ATOM 256 C LYS A 466 6.211 -6.979 -2.532 1.00 0.00 C ATOM 257 O LYS A 466 5.212 -6.340 -2.199 1.00 0.00 O ATOM 258 CB LYS A 466 5.799 -8.570 -4.420 1.00 0.00 C ATOM 259 CG LYS A 466 6.482 -9.755 -5.084 1.00 0.00 C ATOM 260 CD LYS A 466 5.612 -11.002 -5.034 1.00 0.00 C ATOM 261 CE LYS A 466 5.020 -11.325 -6.396 1.00 0.00 C ATOM 262 NZ LYS A 466 4.929 -12.792 -6.630 1.00 0.00 N ATOM 0 H LYS A 466 4.264 -8.530 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 466 7.051 -8.937 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 466 4.722 -8.657 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.113 -7.654 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 466 6.709 -9.510 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 466 7.432 -9.953 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.206 -11.847 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 466 4.808 -10.857 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 466 4.027 -10.883 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 466 5.633 -10.871 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 4.520 -12.969 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 5.880 -13.211 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 4.323 -13.223 -5.902 1.00 0.00 H new ATOM 276 N PRO A 467 7.432 -6.418 -2.565 1.00 0.00 N ATOM 277 CA PRO A 467 7.666 -5.016 -2.211 1.00 0.00 C ATOM 278 C PRO A 467 7.174 -4.059 -3.292 1.00 0.00 C ATOM 279 O PRO A 467 7.558 -4.171 -4.455 1.00 0.00 O ATOM 280 CB PRO A 467 9.187 -4.936 -2.078 1.00 0.00 C ATOM 281 CG PRO A 467 9.699 -5.998 -2.987 1.00 0.00 C ATOM 282 CD PRO A 467 8.680 -7.107 -2.950 1.00 0.00 C ATOM 0 HA PRO A 467 7.130 -4.726 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.559 -3.953 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.505 -5.107 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 467 9.823 -5.617 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.675 -6.355 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 467 8.585 -7.597 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 467 8.952 -7.878 -2.228 1.00 0.00 H new ATOM 290 N MET A 468 6.319 -3.119 -2.901 1.00 0.00 N ATOM 291 CA MET A 468 5.775 -2.146 -3.841 1.00 0.00 C ATOM 292 C MET A 468 5.813 -0.738 -3.256 1.00 0.00 C ATOM 293 O MET A 468 5.891 -0.560 -2.040 1.00 0.00 O ATOM 294 CB MET A 468 4.339 -2.517 -4.213 1.00 0.00 C ATOM 295 CG MET A 468 4.208 -3.901 -4.827 1.00 0.00 C ATOM 296 SD MET A 468 2.558 -4.218 -5.480 1.00 0.00 S ATOM 297 CE MET A 468 1.559 -3.956 -4.016 1.00 0.00 C ATOM 0 H MET A 468 5.989 -3.011 -1.942 1.00 0.00 H new ATOM 0 HA MET A 468 6.394 -2.161 -4.738 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.716 -2.464 -3.320 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.952 -1.779 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.939 -4.009 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.447 -4.652 -4.074 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.599 -4.458 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.075 -4.363 -3.146 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.395 -2.888 -3.874 1.00 0.00 H new ATOM 307 N THR A 469 5.754 0.261 -4.131 1.00 0.00 N ATOM 308 CA THR A 469 5.780 1.655 -3.705 1.00 0.00 C ATOM 309 C THR A 469 4.372 2.156 -3.403 1.00 0.00 C ATOM 310 O THR A 469 3.386 1.486 -3.710 1.00 0.00 O ATOM 311 CB THR A 469 6.426 2.529 -4.782 1.00 0.00 C ATOM 312 OG1 THR A 469 5.538 2.724 -5.867 1.00 0.00 O ATOM 313 CG2 THR A 469 7.708 1.948 -5.335 1.00 0.00 C ATOM 0 H THR A 469 5.688 0.130 -5.140 1.00 0.00 H new ATOM 0 HA THR A 469 6.373 1.719 -2.793 1.00 0.00 H new ATOM 0 HB THR A 469 6.659 3.472 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.968 3.286 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 469 8.113 2.617 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.432 1.832 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.504 0.975 -5.782 1.00 0.00 H new ATOM 321 N THR A 470 4.284 3.337 -2.800 1.00 0.00 N ATOM 322 CA THR A 470 2.996 3.927 -2.457 1.00 0.00 C ATOM 323 C THR A 470 2.127 4.105 -3.698 1.00 0.00 C ATOM 324 O THR A 470 0.938 3.787 -3.687 1.00 0.00 O ATOM 325 CB THR A 470 3.198 5.277 -1.767 1.00 0.00 C ATOM 326 OG1 THR A 470 4.017 6.125 -2.552 1.00 0.00 O ATOM 327 CG2 THR A 470 3.833 5.160 -0.398 1.00 0.00 C ATOM 0 H THR A 470 5.090 3.904 -2.539 1.00 0.00 H new ATOM 0 HA THR A 470 2.486 3.248 -1.774 1.00 0.00 H new ATOM 0 HB THR A 470 2.198 5.694 -1.650 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.133 6.984 -2.094 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.948 6.153 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.197 4.554 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.812 4.689 -0.490 1.00 0.00 H new ATOM 335 N LYS A 471 2.729 4.616 -4.768 1.00 0.00 N ATOM 336 CA LYS A 471 2.010 4.838 -6.018 1.00 0.00 C ATOM 337 C LYS A 471 1.412 3.535 -6.541 1.00 0.00 C ATOM 338 O LYS A 471 0.276 3.510 -7.017 1.00 0.00 O ATOM 339 CB LYS A 471 2.944 5.441 -7.068 1.00 0.00 C ATOM 340 CG LYS A 471 2.243 5.813 -8.364 1.00 0.00 C ATOM 341 CD LYS A 471 3.224 6.348 -9.395 1.00 0.00 C ATOM 342 CE LYS A 471 2.506 6.866 -10.631 1.00 0.00 C ATOM 343 NZ LYS A 471 3.369 7.776 -11.433 1.00 0.00 N ATOM 0 H LYS A 471 3.713 4.884 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 471 1.197 5.537 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.418 6.330 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.740 4.729 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.732 4.938 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.479 6.564 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.816 7.150 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.919 5.559 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 471 2.193 6.024 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 471 1.601 7.395 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.843 8.108 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.647 8.592 -10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.220 7.265 -11.741 1.00 0.00 H new ATOM 357 N ASP A 472 2.182 2.456 -6.449 1.00 0.00 N ATOM 358 CA ASP A 472 1.727 1.151 -6.913 1.00 0.00 C ATOM 359 C ASP A 472 0.473 0.713 -6.164 1.00 0.00 C ATOM 360 O ASP A 472 -0.418 0.088 -6.737 1.00 0.00 O ATOM 361 CB ASP A 472 2.833 0.108 -6.735 1.00 0.00 C ATOM 362 CG ASP A 472 4.002 0.336 -7.674 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.847 1.117 -8.637 1.00 0.00 O ATOM 364 OD2 ASP A 472 5.071 -0.267 -7.447 1.00 0.00 O ATOM 0 H ASP A 472 3.124 2.460 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 472 1.484 1.235 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.188 0.132 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.421 -0.887 -6.907 1.00 0.00 H new ATOM 369 N LEU A 473 0.414 1.045 -4.879 1.00 0.00 N ATOM 370 CA LEU A 473 -0.730 0.687 -4.049 1.00 0.00 C ATOM 371 C LEU A 473 -2.009 1.327 -4.578 1.00 0.00 C ATOM 372 O LEU A 473 -3.063 0.693 -4.613 1.00 0.00 O ATOM 373 CB LEU A 473 -0.490 1.121 -2.602 1.00 0.00 C ATOM 374 CG LEU A 473 0.749 0.515 -1.940 1.00 0.00 C ATOM 375 CD1 LEU A 473 0.850 0.957 -0.489 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.714 -1.003 -2.036 1.00 0.00 C ATOM 0 H LEU A 473 1.145 1.561 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.847 -0.396 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.403 2.207 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.366 0.856 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 473 1.632 0.873 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 473 1.737 0.516 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.921 2.044 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.036 0.629 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.602 -1.418 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.177 -1.379 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.691 -1.301 -3.084 1.00 0.00 H new ATOM 388 N LEU A 474 -1.908 2.586 -4.991 1.00 0.00 N ATOM 389 CA LEU A 474 -3.057 3.311 -5.520 1.00 0.00 C ATOM 390 C LEU A 474 -3.525 2.701 -6.837 1.00 0.00 C ATOM 391 O LEU A 474 -4.725 2.568 -7.080 1.00 0.00 O ATOM 392 CB LEU A 474 -2.707 4.787 -5.722 1.00 0.00 C ATOM 393 CG LEU A 474 -3.905 5.721 -5.906 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.576 5.471 -7.248 1.00 0.00 C ATOM 395 CD2 LEU A 474 -4.900 5.542 -4.769 1.00 0.00 C ATOM 0 H LEU A 474 -1.042 3.125 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.869 3.234 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.129 5.128 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.061 4.875 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 474 -3.545 6.750 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -5.426 6.144 -7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -3.861 5.651 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -4.922 4.439 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -5.745 6.214 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -5.254 4.511 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -4.414 5.772 -3.821 1.00 0.00 H new ATOM 407 N LYS A 475 -2.570 2.335 -7.685 1.00 0.00 N ATOM 408 CA LYS A 475 -2.883 1.739 -8.978 1.00 0.00 C ATOM 409 C LYS A 475 -3.606 0.407 -8.804 1.00 0.00 C ATOM 410 O LYS A 475 -4.486 0.060 -9.592 1.00 0.00 O ATOM 411 CB LYS A 475 -1.604 1.535 -9.792 1.00 0.00 C ATOM 412 CG LYS A 475 -0.824 2.818 -10.032 1.00 0.00 C ATOM 413 CD LYS A 475 -1.621 3.805 -10.869 1.00 0.00 C ATOM 414 CE LYS A 475 -0.783 5.016 -11.247 1.00 0.00 C ATOM 415 NZ LYS A 475 -1.613 6.104 -11.834 1.00 0.00 N ATOM 0 H LYS A 475 -1.573 2.441 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.542 2.422 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -0.963 0.822 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -1.862 1.091 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -0.568 3.274 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 475 0.114 2.586 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.979 3.312 -11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.501 4.129 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.266 5.390 -10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.016 4.718 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.005 6.911 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -2.086 5.755 -12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.328 6.406 -11.142 1.00 0.00 H new ATOM 429 N LYS A 476 -3.229 -0.334 -7.768 1.00 0.00 N ATOM 430 CA LYS A 476 -3.841 -1.629 -7.490 1.00 0.00 C ATOM 431 C LYS A 476 -5.343 -1.485 -7.267 1.00 0.00 C ATOM 432 O LYS A 476 -6.126 -2.348 -7.666 1.00 0.00 O ATOM 433 CB LYS A 476 -3.191 -2.270 -6.263 1.00 0.00 C ATOM 434 CG LYS A 476 -3.658 -3.693 -6.002 1.00 0.00 C ATOM 435 CD LYS A 476 -3.040 -4.671 -6.988 1.00 0.00 C ATOM 436 CE LYS A 476 -3.427 -6.105 -6.665 1.00 0.00 C ATOM 437 NZ LYS A 476 -2.914 -7.063 -7.683 1.00 0.00 N ATOM 0 H LYS A 476 -2.502 -0.060 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.681 -2.272 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.109 -2.270 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.407 -1.659 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -3.393 -3.983 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.745 -3.740 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.364 -4.424 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.955 -4.572 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -3.036 -6.374 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.513 -6.184 -6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.200 -8.029 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.307 -6.823 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -1.876 -7.007 -7.720 1.00 0.00 H new ATOM 451 N PHE A 477 -5.740 -0.390 -6.627 1.00 0.00 N ATOM 452 CA PHE A 477 -7.148 -0.134 -6.350 1.00 0.00 C ATOM 453 C PHE A 477 -7.721 0.885 -7.331 1.00 0.00 C ATOM 454 O PHE A 477 -8.633 1.640 -6.993 1.00 0.00 O ATOM 455 CB PHE A 477 -7.324 0.368 -4.915 1.00 0.00 C ATOM 456 CG PHE A 477 -6.969 -0.656 -3.874 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.898 -1.597 -3.464 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.705 -0.673 -3.305 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.574 -2.539 -2.506 1.00 0.00 C ATOM 460 CE2 PHE A 477 -5.375 -1.613 -2.346 1.00 0.00 C ATOM 461 CZ PHE A 477 -6.311 -2.547 -1.946 1.00 0.00 C ATOM 0 H PHE A 477 -5.106 0.334 -6.290 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.691 -1.071 -6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.704 1.253 -4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.359 0.677 -4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.887 -1.595 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.970 0.056 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -8.308 -3.268 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -4.387 -1.617 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 477 -6.056 -3.282 -1.197 1.00 0.00 H new ATOM 471 N GLN A 478 -7.181 0.901 -8.545 1.00 0.00 N ATOM 472 CA GLN A 478 -7.639 1.828 -9.574 1.00 0.00 C ATOM 473 C GLN A 478 -9.128 1.639 -9.854 1.00 0.00 C ATOM 474 O GLN A 478 -9.828 2.589 -10.207 1.00 0.00 O ATOM 475 CB GLN A 478 -6.836 1.634 -10.862 1.00 0.00 C ATOM 476 CG GLN A 478 -6.937 0.232 -11.439 1.00 0.00 C ATOM 477 CD GLN A 478 -6.969 0.227 -12.955 1.00 0.00 C ATOM 478 OE1 GLN A 478 -7.747 0.954 -13.573 1.00 0.00 O ATOM 479 NE2 GLN A 478 -6.122 -0.596 -13.562 1.00 0.00 N ATOM 0 H GLN A 478 -6.426 0.283 -8.841 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.483 2.843 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.183 2.350 -11.607 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -5.788 1.862 -10.664 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -6.089 -0.361 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.838 -0.250 -11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -5.495 -1.181 -13.010 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.099 -0.643 -14.581 1.00 0.00 H new ATOM 488 N THR A 479 -9.604 0.409 -9.695 1.00 0.00 N ATOM 489 CA THR A 479 -11.009 0.096 -9.931 1.00 0.00 C ATOM 490 C THR A 479 -11.420 -1.164 -9.177 1.00 0.00 C ATOM 491 O THR A 479 -11.567 -2.233 -9.768 1.00 0.00 O ATOM 492 CB THR A 479 -11.269 -0.082 -11.428 1.00 0.00 C ATOM 493 OG1 THR A 479 -10.417 -1.075 -11.970 1.00 0.00 O ATOM 494 CG2 THR A 479 -11.061 1.186 -12.227 1.00 0.00 C ATOM 0 H THR A 479 -9.038 -0.388 -9.404 1.00 0.00 H new ATOM 0 HA THR A 479 -11.608 0.929 -9.562 1.00 0.00 H new ATOM 0 HB THR A 479 -12.316 -0.374 -11.506 1.00 0.00 H new ATOM 0 HG1 THR A 479 -10.517 -1.906 -11.460 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.262 0.990 -13.280 1.00 0.00 H new ATOM 0 HG22 THR A 479 -11.740 1.959 -11.866 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.031 1.524 -12.111 1.00 0.00 H new ATOM 502 N LYS A 480 -11.603 -1.029 -7.868 1.00 0.00 N ATOM 503 CA LYS A 480 -11.997 -2.157 -7.031 1.00 0.00 C ATOM 504 C LYS A 480 -13.279 -1.845 -6.266 1.00 0.00 C ATOM 505 O LYS A 480 -13.498 -0.711 -5.838 1.00 0.00 O ATOM 506 CB LYS A 480 -10.876 -2.508 -6.051 1.00 0.00 C ATOM 507 CG LYS A 480 -11.111 -3.807 -5.297 1.00 0.00 C ATOM 508 CD LYS A 480 -9.991 -4.088 -4.308 1.00 0.00 C ATOM 509 CE LYS A 480 -10.141 -5.461 -3.674 1.00 0.00 C ATOM 510 NZ LYS A 480 -9.833 -6.555 -4.635 1.00 0.00 N ATOM 0 H LYS A 480 -11.485 -0.150 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.182 -3.012 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -9.936 -2.580 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -10.765 -1.696 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -12.062 -3.754 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -11.187 -4.632 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.029 -4.024 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -9.991 -3.325 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -9.477 -5.537 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -11.159 -5.580 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.781 -7.460 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -10.582 -6.605 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.921 -6.365 -5.097 1.00 0.00 H new ATOM 524 N LYS A 481 -14.123 -2.858 -6.097 1.00 0.00 N ATOM 525 CA LYS A 481 -15.383 -2.692 -5.383 1.00 0.00 C ATOM 526 C LYS A 481 -15.139 -2.262 -3.941 1.00 0.00 C ATOM 527 O LYS A 481 -15.086 -3.093 -3.034 1.00 0.00 O ATOM 528 CB LYS A 481 -16.184 -3.995 -5.410 1.00 0.00 C ATOM 529 CG LYS A 481 -17.640 -3.821 -5.012 1.00 0.00 C ATOM 530 CD LYS A 481 -18.242 -5.128 -4.520 1.00 0.00 C ATOM 531 CE LYS A 481 -18.434 -6.116 -5.659 1.00 0.00 C ATOM 532 NZ LYS A 481 -19.842 -6.142 -6.141 1.00 0.00 N ATOM 0 H LYS A 481 -13.957 -3.802 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.955 -1.911 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.138 -4.419 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.716 -4.714 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.717 -3.066 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -18.211 -3.455 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.593 -5.566 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -19.202 -4.931 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.773 -5.851 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.146 -7.113 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -19.930 -6.828 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -20.471 -6.419 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.110 -5.197 -6.482 1.00 0.00 H new ATOM 546 N THR A 482 -14.990 -0.958 -3.736 1.00 0.00 N ATOM 547 CA THR A 482 -14.751 -0.414 -2.405 1.00 0.00 C ATOM 548 C THR A 482 -15.775 0.664 -2.064 1.00 0.00 C ATOM 549 O THR A 482 -16.273 0.727 -0.940 1.00 0.00 O ATOM 550 CB THR A 482 -13.338 0.164 -2.313 1.00 0.00 C ATOM 551 OG1 THR A 482 -13.178 1.245 -3.214 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.256 -0.850 -2.616 1.00 0.00 C ATOM 0 H THR A 482 -15.031 -0.257 -4.476 1.00 0.00 H new ATOM 0 HA THR A 482 -14.852 -1.227 -1.686 1.00 0.00 H new ATOM 0 HB THR A 482 -13.227 0.492 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 482 -13.250 0.917 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.279 -0.375 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.320 -1.674 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.389 -1.232 -3.628 1.00 0.00 H new ATOM 560 N GLY A 483 -16.086 1.510 -3.041 1.00 0.00 N ATOM 561 CA GLY A 483 -17.049 2.572 -2.824 1.00 0.00 C ATOM 562 C GLY A 483 -16.388 3.912 -2.560 1.00 0.00 C ATOM 563 O GLY A 483 -16.990 4.963 -2.786 1.00 0.00 O ATOM 0 H GLY A 483 -15.688 1.478 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -17.696 2.656 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.687 2.313 -1.979 1.00 0.00 H new ATOM 567 N LEU A 484 -15.149 3.876 -2.082 1.00 0.00 N ATOM 568 CA LEU A 484 -14.408 5.098 -1.787 1.00 0.00 C ATOM 569 C LEU A 484 -13.623 5.566 -3.008 1.00 0.00 C ATOM 570 O LEU A 484 -13.065 4.754 -3.749 1.00 0.00 O ATOM 571 CB LEU A 484 -13.457 4.872 -0.612 1.00 0.00 C ATOM 572 CG LEU A 484 -14.107 4.289 0.645 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.050 3.968 1.692 1.00 0.00 C ATOM 574 CD2 LEU A 484 -15.140 5.253 1.208 1.00 0.00 C ATOM 0 H LEU A 484 -14.637 3.015 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 484 -15.127 5.873 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.659 4.203 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.991 5.823 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.614 3.363 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.530 3.554 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -12.346 3.240 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.515 4.879 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.592 4.821 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.656 6.195 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.914 5.434 0.462 1.00 0.00 H new ATOM 586 N SER A 485 -13.583 6.878 -3.214 1.00 0.00 N ATOM 587 CA SER A 485 -12.865 7.454 -4.346 1.00 0.00 C ATOM 588 C SER A 485 -11.369 7.177 -4.237 1.00 0.00 C ATOM 589 O SER A 485 -10.840 6.985 -3.143 1.00 0.00 O ATOM 590 CB SER A 485 -13.114 8.961 -4.421 1.00 0.00 C ATOM 591 OG SER A 485 -14.498 9.245 -4.534 1.00 0.00 O ATOM 0 H SER A 485 -14.039 7.563 -2.612 1.00 0.00 H new ATOM 0 HA SER A 485 -13.237 6.987 -5.258 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.712 9.444 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.583 9.378 -5.277 1.00 0.00 H new ATOM 0 HG SER A 485 -14.630 10.215 -4.578 1.00 0.00 H new ATOM 597 N SER A 486 -10.691 7.161 -5.381 1.00 0.00 N ATOM 598 CA SER A 486 -9.256 6.908 -5.416 1.00 0.00 C ATOM 599 C SER A 486 -8.500 7.953 -4.601 1.00 0.00 C ATOM 600 O SER A 486 -7.517 7.638 -3.929 1.00 0.00 O ATOM 601 CB SER A 486 -8.752 6.908 -6.859 1.00 0.00 C ATOM 602 OG SER A 486 -9.472 5.982 -7.653 1.00 0.00 O ATOM 0 H SER A 486 -11.113 7.320 -6.296 1.00 0.00 H new ATOM 0 HA SER A 486 -9.074 5.928 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 486 -8.851 7.908 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 486 -7.691 6.658 -6.876 1.00 0.00 H new ATOM 0 HG SER A 486 -9.131 6.004 -8.571 1.00 0.00 H new ATOM 608 N GLU A 487 -8.964 9.196 -4.666 1.00 0.00 N ATOM 609 CA GLU A 487 -8.331 10.288 -3.934 1.00 0.00 C ATOM 610 C GLU A 487 -8.385 10.039 -2.430 1.00 0.00 C ATOM 611 O GLU A 487 -7.422 10.308 -1.711 1.00 0.00 O ATOM 612 CB GLU A 487 -9.012 11.617 -4.268 1.00 0.00 C ATOM 613 CG GLU A 487 -8.336 12.822 -3.635 1.00 0.00 C ATOM 614 CD GLU A 487 -9.094 14.112 -3.883 1.00 0.00 C ATOM 615 OE1 GLU A 487 -9.182 14.532 -5.056 1.00 0.00 O ATOM 616 OE2 GLU A 487 -9.601 14.700 -2.906 1.00 0.00 O ATOM 0 H GLU A 487 -9.776 9.473 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.285 10.337 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -9.027 11.746 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.050 11.577 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.244 12.660 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.325 12.917 -4.031 1.00 0.00 H new ATOM 623 N GLN A 488 -9.516 9.523 -1.961 1.00 0.00 N ATOM 624 CA GLN A 488 -9.694 9.237 -0.542 1.00 0.00 C ATOM 625 C GLN A 488 -8.695 8.187 -0.068 1.00 0.00 C ATOM 626 O GLN A 488 -8.186 8.259 1.050 1.00 0.00 O ATOM 627 CB GLN A 488 -11.122 8.758 -0.272 1.00 0.00 C ATOM 628 CG GLN A 488 -12.178 9.826 -0.506 1.00 0.00 C ATOM 629 CD GLN A 488 -13.579 9.337 -0.199 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.975 8.249 -0.616 1.00 0.00 O ATOM 631 NE2 GLN A 488 -14.340 10.142 0.534 1.00 0.00 N ATOM 0 H GLN A 488 -10.323 9.294 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.516 10.158 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.336 7.902 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.191 8.411 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.956 10.694 0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.132 10.156 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.971 11.036 0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -15.293 9.866 0.772 1.00 0.00 H new ATOM 640 N THR A 489 -8.417 7.212 -0.928 1.00 0.00 N ATOM 641 CA THR A 489 -7.478 6.147 -0.597 1.00 0.00 C ATOM 642 C THR A 489 -6.093 6.713 -0.307 1.00 0.00 C ATOM 643 O THR A 489 -5.374 6.212 0.557 1.00 0.00 O ATOM 644 CB THR A 489 -7.399 5.135 -1.741 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.686 4.638 -2.062 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.513 3.948 -1.429 1.00 0.00 C ATOM 0 H THR A 489 -8.828 7.138 -1.858 1.00 0.00 H new ATOM 0 HA THR A 489 -7.840 5.644 0.300 1.00 0.00 H new ATOM 0 HB THR A 489 -6.967 5.681 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 489 -8.614 3.994 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.501 3.269 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.499 4.294 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.900 3.425 -0.554 1.00 0.00 H new ATOM 654 N VAL A 490 -5.723 7.761 -1.037 1.00 0.00 N ATOM 655 CA VAL A 490 -4.422 8.395 -0.858 1.00 0.00 C ATOM 656 C VAL A 490 -4.272 8.950 0.554 1.00 0.00 C ATOM 657 O VAL A 490 -3.235 8.773 1.194 1.00 0.00 O ATOM 658 CB VAL A 490 -4.209 9.535 -1.873 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.800 10.097 -1.763 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.488 9.051 -3.289 1.00 0.00 C ATOM 0 H VAL A 490 -6.305 8.188 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.668 7.626 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.912 10.335 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.671 10.900 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.641 10.487 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -2.076 9.307 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -4.332 9.870 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.813 8.231 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.519 8.705 -3.359 1.00 0.00 H new ATOM 670 N ASN A 491 -5.312 9.624 1.035 1.00 0.00 N ATOM 671 CA ASN A 491 -5.294 10.205 2.372 1.00 0.00 C ATOM 672 C ASN A 491 -5.097 9.126 3.432 1.00 0.00 C ATOM 673 O ASN A 491 -4.283 9.278 4.343 1.00 0.00 O ATOM 674 CB ASN A 491 -6.594 10.965 2.639 1.00 0.00 C ATOM 675 CG ASN A 491 -6.802 12.114 1.671 1.00 0.00 C ATOM 676 OD1 ASN A 491 -7.861 12.242 1.057 1.00 0.00 O ATOM 677 ND2 ASN A 491 -5.786 12.958 1.529 1.00 0.00 N ATOM 0 H ASN A 491 -6.177 9.781 0.519 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.457 10.901 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.436 10.276 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -6.584 11.350 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -5.866 13.750 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.926 12.814 2.058 1.00 0.00 H new ATOM 684 N VAL A 492 -5.846 8.035 3.305 1.00 0.00 N ATOM 685 CA VAL A 492 -5.752 6.930 4.251 1.00 0.00 C ATOM 686 C VAL A 492 -4.460 6.144 4.049 1.00 0.00 C ATOM 687 O VAL A 492 -3.825 5.714 5.011 1.00 0.00 O ATOM 688 CB VAL A 492 -6.951 5.971 4.116 1.00 0.00 C ATOM 689 CG1 VAL A 492 -6.914 4.908 5.203 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.259 6.744 4.159 1.00 0.00 C ATOM 0 H VAL A 492 -6.524 7.893 2.556 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.757 7.366 5.250 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.883 5.469 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -7.769 4.242 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -5.992 4.333 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -6.954 5.387 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.095 6.051 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.336 7.276 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.285 7.461 3.338 1.00 0.00 H new ATOM 700 N LEU A 493 -4.078 5.961 2.788 1.00 0.00 N ATOM 701 CA LEU A 493 -2.864 5.227 2.456 1.00 0.00 C ATOM 702 C LEU A 493 -1.637 5.896 3.069 1.00 0.00 C ATOM 703 O LEU A 493 -0.720 5.222 3.540 1.00 0.00 O ATOM 704 CB LEU A 493 -2.702 5.133 0.937 1.00 0.00 C ATOM 705 CG LEU A 493 -1.499 4.316 0.462 1.00 0.00 C ATOM 706 CD1 LEU A 493 -1.832 3.570 -0.821 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.291 5.219 0.259 1.00 0.00 C ATOM 0 H LEU A 493 -4.593 6.312 1.980 1.00 0.00 H new ATOM 0 HA LEU A 493 -2.951 4.222 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -3.608 4.695 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.619 6.142 0.533 1.00 0.00 H new ATOM 0 HG LEU A 493 -1.255 3.582 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.964 2.995 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -2.669 2.895 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.102 4.285 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 493 0.556 4.623 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.524 5.976 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.039 5.707 1.201 1.00 0.00 H new ATOM 719 N ALA A 494 -1.626 7.224 3.061 1.00 0.00 N ATOM 720 CA ALA A 494 -0.512 7.980 3.619 1.00 0.00 C ATOM 721 C ALA A 494 -0.507 7.906 5.142 1.00 0.00 C ATOM 722 O ALA A 494 0.552 7.848 5.769 1.00 0.00 O ATOM 723 CB ALA A 494 -0.572 9.428 3.158 1.00 0.00 C ATOM 0 H ALA A 494 -2.375 7.798 2.675 1.00 0.00 H new ATOM 0 HA ALA A 494 0.415 7.535 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.266 9.980 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.518 9.466 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.508 9.877 3.490 1.00 0.00 H new ATOM 729 N GLN A 495 -1.698 7.911 5.730 1.00 0.00 N ATOM 730 CA GLN A 495 -1.836 7.846 7.181 1.00 0.00 C ATOM 731 C GLN A 495 -1.639 6.420 7.687 1.00 0.00 C ATOM 732 O GLN A 495 -1.139 6.207 8.791 1.00 0.00 O ATOM 733 CB GLN A 495 -3.210 8.366 7.606 1.00 0.00 C ATOM 734 CG GLN A 495 -3.427 9.838 7.296 1.00 0.00 C ATOM 735 CD GLN A 495 -4.810 10.319 7.689 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.717 9.519 7.915 1.00 0.00 O ATOM 737 NE2 GLN A 495 -4.977 11.634 7.771 1.00 0.00 N ATOM 0 H GLN A 495 -2.583 7.959 5.224 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.063 8.476 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -3.981 7.781 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.334 8.207 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.678 10.430 7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.277 10.007 6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.196 12.260 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.886 12.017 8.030 1.00 0.00 H new ATOM 746 N ILE A 496 -2.039 5.448 6.875 1.00 0.00 N ATOM 747 CA ILE A 496 -1.909 4.043 7.245 1.00 0.00 C ATOM 748 C ILE A 496 -0.468 3.566 7.092 1.00 0.00 C ATOM 749 O ILE A 496 0.078 2.906 7.976 1.00 0.00 O ATOM 750 CB ILE A 496 -2.853 3.154 6.399 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.230 1.891 7.176 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.232 2.789 5.056 1.00 0.00 C ATOM 753 CD1 ILE A 496 -4.615 1.374 6.851 1.00 0.00 C ATOM 0 H ILE A 496 -2.455 5.606 5.957 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.195 3.954 8.293 1.00 0.00 H new ATOM 0 HB ILE A 496 -3.756 3.729 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.500 1.111 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.170 2.099 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.925 2.165 4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.022 3.698 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.304 2.242 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -4.816 0.477 7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.354 2.138 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.674 1.134 5.789 1.00 0.00 H new ATOM 765 N LEU A 497 0.134 3.902 5.960 1.00 0.00 N ATOM 766 CA LEU A 497 1.511 3.511 5.676 1.00 0.00 C ATOM 767 C LEU A 497 2.477 4.104 6.697 1.00 0.00 C ATOM 768 O LEU A 497 3.366 3.415 7.196 1.00 0.00 O ATOM 769 CB LEU A 497 1.909 3.951 4.266 1.00 0.00 C ATOM 770 CG LEU A 497 1.296 3.126 3.132 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.790 3.623 1.783 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.624 1.650 3.311 1.00 0.00 C ATOM 0 H LEU A 497 -0.310 4.446 5.220 1.00 0.00 H new ATOM 0 HA LEU A 497 1.569 2.425 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.621 4.994 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.995 3.907 4.181 1.00 0.00 H new ATOM 0 HG LEU A 497 0.213 3.245 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.344 3.024 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.506 4.667 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.875 3.534 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.181 1.077 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.705 1.514 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.221 1.300 4.261 1.00 0.00 H new ATOM 784 N LYS A 498 2.301 5.386 7.001 1.00 0.00 N ATOM 785 CA LYS A 498 3.164 6.065 7.961 1.00 0.00 C ATOM 786 C LYS A 498 3.086 5.400 9.331 1.00 0.00 C ATOM 787 O LYS A 498 4.103 5.202 9.995 1.00 0.00 O ATOM 788 CB LYS A 498 2.782 7.542 8.073 1.00 0.00 C ATOM 789 CG LYS A 498 1.404 7.775 8.669 1.00 0.00 C ATOM 790 CD LYS A 498 1.081 9.257 8.756 1.00 0.00 C ATOM 791 CE LYS A 498 1.916 9.948 9.821 1.00 0.00 C ATOM 792 NZ LYS A 498 3.162 10.535 9.257 1.00 0.00 N ATOM 0 H LYS A 498 1.571 5.974 6.598 1.00 0.00 H new ATOM 0 HA LYS A 498 4.190 5.992 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 498 3.524 8.054 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.820 7.994 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.653 7.273 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.356 7.332 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.261 9.727 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 498 0.022 9.387 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.325 10.734 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.173 9.232 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.975 10.251 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 3.298 10.193 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 3.086 11.572 9.252 1.00 0.00 H new ATOM 806 N ARG A 499 1.872 5.057 9.750 1.00 0.00 N ATOM 807 CA ARG A 499 1.662 4.412 11.041 1.00 0.00 C ATOM 808 C ARG A 499 2.401 3.080 11.109 1.00 0.00 C ATOM 809 O ARG A 499 3.091 2.790 12.086 1.00 0.00 O ATOM 810 CB ARG A 499 0.169 4.195 11.290 1.00 0.00 C ATOM 811 CG ARG A 499 -0.142 3.619 12.661 1.00 0.00 C ATOM 812 CD ARG A 499 -1.627 3.336 12.822 1.00 0.00 C ATOM 813 NE ARG A 499 -2.432 4.548 12.691 1.00 0.00 N ATOM 814 CZ ARG A 499 -2.479 5.510 13.609 1.00 0.00 C ATOM 815 NH1 ARG A 499 -1.767 5.406 14.725 1.00 0.00 N ATOM 816 NH2 ARG A 499 -3.237 6.580 13.411 1.00 0.00 N ATOM 0 H ARG A 499 1.019 5.215 9.214 1.00 0.00 H new ATOM 0 HA ARG A 499 2.060 5.067 11.816 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.351 5.146 11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.225 3.525 10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.423 2.698 12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.182 4.317 13.432 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -1.941 2.609 12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -1.807 2.885 13.798 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.991 4.664 11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -1.181 4.586 14.881 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -1.806 6.146 15.426 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -3.784 6.666 12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -3.273 7.317 14.115 1.00 0.00 H new ATOM 830 N LEU A 500 2.252 2.274 10.062 1.00 0.00 N ATOM 831 CA LEU A 500 2.904 0.972 10.000 1.00 0.00 C ATOM 832 C LEU A 500 4.403 1.126 9.768 1.00 0.00 C ATOM 833 O LEU A 500 5.210 0.386 10.331 1.00 0.00 O ATOM 834 CB LEU A 500 2.289 0.122 8.887 1.00 0.00 C ATOM 835 CG LEU A 500 2.547 -1.380 9.000 1.00 0.00 C ATOM 836 CD1 LEU A 500 1.602 -2.154 8.094 1.00 0.00 C ATOM 837 CD2 LEU A 500 3.995 -1.698 8.660 1.00 0.00 C ATOM 0 H LEU A 500 1.685 2.501 9.245 1.00 0.00 H new ATOM 0 HA LEU A 500 2.751 0.471 10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.212 0.290 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.676 0.470 7.929 1.00 0.00 H new ATOM 0 HG LEU A 500 2.360 -1.685 10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.801 -3.222 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.571 -1.950 8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.756 -1.846 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 500 4.161 -2.772 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 500 4.208 -1.378 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 500 4.655 -1.172 9.350 1.00 0.00 H new ATOM 849 N ASN A 501 4.766 2.094 8.936 1.00 0.00 N ATOM 850 CA ASN A 501 6.168 2.353 8.623 1.00 0.00 C ATOM 851 C ASN A 501 6.841 1.110 8.042 1.00 0.00 C ATOM 852 O ASN A 501 7.776 0.568 8.631 1.00 0.00 O ATOM 853 CB ASN A 501 6.914 2.816 9.877 1.00 0.00 C ATOM 854 CG ASN A 501 8.110 3.688 9.549 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.586 3.709 8.414 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.602 4.415 10.545 1.00 0.00 N ATOM 0 H ASN A 501 4.108 2.715 8.464 1.00 0.00 H new ATOM 0 HA ASN A 501 6.206 3.143 7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.230 3.370 10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 501 7.247 1.945 10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.406 5.022 10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.176 4.367 11.470 1.00 0.00 H new ATOM 863 N PRO A 502 6.374 0.641 6.870 1.00 0.00 N ATOM 864 CA PRO A 502 6.938 -0.543 6.213 1.00 0.00 C ATOM 865 C PRO A 502 8.411 -0.358 5.861 1.00 0.00 C ATOM 866 O PRO A 502 8.877 0.765 5.665 1.00 0.00 O ATOM 867 CB PRO A 502 6.101 -0.689 4.936 1.00 0.00 C ATOM 868 CG PRO A 502 4.860 0.097 5.191 1.00 0.00 C ATOM 869 CD PRO A 502 5.265 1.223 6.096 1.00 0.00 C ATOM 0 HA PRO A 502 6.901 -1.419 6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.638 -0.307 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.870 -1.735 4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 502 4.440 0.476 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.094 -0.523 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.583 2.100 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.444 1.538 6.740 1.00 0.00 H new ATOM 877 N GLU A 503 9.139 -1.467 5.779 1.00 0.00 N ATOM 878 CA GLU A 503 10.559 -1.425 5.447 1.00 0.00 C ATOM 879 C GLU A 503 10.777 -0.780 4.081 1.00 0.00 C ATOM 880 O GLU A 503 9.991 -0.984 3.157 1.00 0.00 O ATOM 881 CB GLU A 503 11.150 -2.837 5.458 1.00 0.00 C ATOM 882 CG GLU A 503 11.036 -3.533 6.804 1.00 0.00 C ATOM 883 CD GLU A 503 11.710 -4.891 6.816 1.00 0.00 C ATOM 884 OE1 GLU A 503 11.132 -5.846 6.256 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.816 -5.000 7.387 1.00 0.00 O ATOM 0 H GLU A 503 8.770 -2.405 5.938 1.00 0.00 H new ATOM 0 HA GLU A 503 11.066 -0.822 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.645 -3.439 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.201 -2.784 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 503 11.482 -2.903 7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.983 -3.652 7.060 1.00 0.00 H new ATOM 892 N ARG A 504 11.847 -0.001 3.963 1.00 0.00 N ATOM 893 CA ARG A 504 12.164 0.673 2.708 1.00 0.00 C ATOM 894 C ARG A 504 13.456 0.131 2.107 1.00 0.00 C ATOM 895 O ARG A 504 14.455 -0.040 2.807 1.00 0.00 O ATOM 896 CB ARG A 504 12.287 2.182 2.935 1.00 0.00 C ATOM 897 CG ARG A 504 13.443 2.570 3.842 1.00 0.00 C ATOM 898 CD ARG A 504 13.377 4.038 4.230 1.00 0.00 C ATOM 899 NE ARG A 504 14.536 4.448 5.020 1.00 0.00 N ATOM 900 CZ ARG A 504 14.680 4.180 6.316 1.00 0.00 C ATOM 901 NH1 ARG A 504 13.744 3.505 6.970 1.00 0.00 N ATOM 902 NH2 ARG A 504 15.765 4.590 6.960 1.00 0.00 N ATOM 0 H ARG A 504 12.508 0.179 4.719 1.00 0.00 H new ATOM 0 HA ARG A 504 11.352 0.481 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.410 2.677 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 504 11.357 2.553 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.425 1.954 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 504 14.387 2.368 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 504 13.318 4.649 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.466 4.222 4.800 1.00 0.00 H new ATOM 0 HE ARG A 504 15.277 4.969 4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.908 3.188 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.861 3.303 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.488 5.110 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.877 4.385 7.953 1.00 0.00 H new ATOM 916 N LYS A 505 13.429 -0.135 0.805 1.00 0.00 N ATOM 917 CA LYS A 505 14.598 -0.658 0.107 1.00 0.00 C ATOM 918 C LYS A 505 14.815 0.080 -1.211 1.00 0.00 C ATOM 919 O LYS A 505 13.858 0.480 -1.874 1.00 0.00 O ATOM 920 CB LYS A 505 14.437 -2.156 -0.154 1.00 0.00 C ATOM 921 CG LYS A 505 14.271 -2.979 1.112 1.00 0.00 C ATOM 922 CD LYS A 505 14.386 -4.468 0.828 1.00 0.00 C ATOM 923 CE LYS A 505 13.227 -4.966 -0.020 1.00 0.00 C ATOM 924 NZ LYS A 505 13.669 -5.961 -1.036 1.00 0.00 N ATOM 0 H LYS A 505 12.611 0.003 0.212 1.00 0.00 H new ATOM 0 HA LYS A 505 15.470 -0.501 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.570 -2.313 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 505 15.308 -2.517 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 505 15.029 -2.687 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.300 -2.767 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 505 15.326 -4.670 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.412 -5.018 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 505 12.473 -5.417 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 505 12.755 -4.121 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 12.849 -6.276 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 14.370 -5.524 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 14.097 -6.779 -0.557 1.00 0.00 H new ATOM 938 N MET A 506 16.078 0.256 -1.584 1.00 0.00 N ATOM 939 CA MET A 506 16.418 0.947 -2.823 1.00 0.00 C ATOM 940 C MET A 506 16.627 -0.047 -3.961 1.00 0.00 C ATOM 941 O MET A 506 17.660 -0.711 -4.038 1.00 0.00 O ATOM 942 CB MET A 506 17.679 1.792 -2.632 1.00 0.00 C ATOM 943 CG MET A 506 18.001 2.681 -3.821 1.00 0.00 C ATOM 944 SD MET A 506 19.589 3.519 -3.652 1.00 0.00 S ATOM 945 CE MET A 506 19.275 4.554 -2.226 1.00 0.00 C ATOM 0 H MET A 506 16.882 -0.070 -1.047 1.00 0.00 H new ATOM 0 HA MET A 506 15.586 1.601 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.558 2.415 -1.746 1.00 0.00 H new ATOM 0 HB3 MET A 506 18.525 1.130 -2.444 1.00 0.00 H new ATOM 0 HG2 MET A 506 18.008 2.078 -4.729 1.00 0.00 H new ATOM 0 HG3 MET A 506 17.213 3.425 -3.938 1.00 0.00 H new ATOM 0 HE1 MET A 506 20.049 5.318 -2.154 1.00 0.00 H new ATOM 0 HE2 MET A 506 18.301 5.033 -2.331 1.00 0.00 H new ATOM 0 HE3 MET A 506 19.283 3.943 -1.324 1.00 0.00 H new ATOM 955 N ILE A 507 15.636 -0.145 -4.842 1.00 0.00 N ATOM 956 CA ILE A 507 15.710 -1.057 -5.978 1.00 0.00 C ATOM 957 C ILE A 507 15.597 -0.298 -7.296 1.00 0.00 C ATOM 958 O ILE A 507 14.606 0.388 -7.547 1.00 0.00 O ATOM 959 CB ILE A 507 14.600 -2.123 -5.915 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.587 -2.797 -4.542 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.792 -3.156 -7.015 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.427 -3.748 -4.345 1.00 0.00 C ATOM 0 H ILE A 507 14.773 0.396 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 507 16.680 -1.551 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 507 13.639 -1.633 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.521 -3.343 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.551 -2.029 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.999 -3.902 -6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.756 -2.664 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.759 -3.644 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.483 -4.189 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.488 -3.204 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.473 -4.538 -5.095 1.00 0.00 H new ATOM 974 N ASN A 508 16.620 -0.425 -8.137 1.00 0.00 N ATOM 975 CA ASN A 508 16.635 0.248 -9.431 1.00 0.00 C ATOM 976 C ASN A 508 16.469 1.757 -9.261 1.00 0.00 C ATOM 977 O ASN A 508 15.715 2.395 -9.997 1.00 0.00 O ATOM 978 CB ASN A 508 15.525 -0.304 -10.329 1.00 0.00 C ATOM 979 CG ASN A 508 15.752 0.021 -11.793 1.00 0.00 C ATOM 980 OD1 ASN A 508 16.770 0.606 -12.160 1.00 0.00 O ATOM 981 ND2 ASN A 508 14.799 -0.360 -12.637 1.00 0.00 N ATOM 0 H ASN A 508 17.449 -0.988 -7.945 1.00 0.00 H new ATOM 0 HA ASN A 508 17.600 0.058 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 508 15.464 -1.385 -10.205 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.567 0.107 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.895 -0.170 -13.634 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.971 -0.843 -12.287 1.00 0.00 H new ATOM 988 N ASP A 509 17.176 2.318 -8.287 1.00 0.00 N ATOM 989 CA ASP A 509 17.106 3.750 -8.019 1.00 0.00 C ATOM 990 C ASP A 509 15.681 4.171 -7.677 1.00 0.00 C ATOM 991 O ASP A 509 15.239 5.260 -8.043 1.00 0.00 O ATOM 992 CB ASP A 509 17.608 4.542 -9.228 1.00 0.00 C ATOM 993 CG ASP A 509 19.079 4.299 -9.509 1.00 0.00 C ATOM 994 OD1 ASP A 509 19.778 3.787 -8.611 1.00 0.00 O ATOM 995 OD2 ASP A 509 19.530 4.624 -10.627 1.00 0.00 O ATOM 0 H ASP A 509 17.804 1.804 -7.670 1.00 0.00 H new ATOM 0 HA ASP A 509 17.744 3.965 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.023 4.268 -10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.445 5.606 -9.055 1.00 0.00 H new ATOM 1000 N LYS A 510 14.966 3.299 -6.973 1.00 0.00 N ATOM 1001 CA LYS A 510 13.590 3.579 -6.580 1.00 0.00 C ATOM 1002 C LYS A 510 13.314 3.068 -5.169 1.00 0.00 C ATOM 1003 O LYS A 510 13.920 2.095 -4.720 1.00 0.00 O ATOM 1004 CB LYS A 510 12.614 2.936 -7.567 1.00 0.00 C ATOM 1005 CG LYS A 510 12.718 3.496 -8.976 1.00 0.00 C ATOM 1006 CD LYS A 510 11.751 2.803 -9.923 1.00 0.00 C ATOM 1007 CE LYS A 510 10.307 3.142 -9.590 1.00 0.00 C ATOM 1008 NZ LYS A 510 9.470 3.271 -10.814 1.00 0.00 N ATOM 0 H LYS A 510 15.317 2.393 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 510 13.448 4.660 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.796 1.862 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.596 3.077 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.510 4.566 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.737 3.375 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.969 3.100 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 510 11.895 1.724 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 510 9.891 2.367 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 510 10.274 4.075 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 8.493 3.503 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 9.851 4.028 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 9.481 2.373 -11.338 1.00 0.00 H new ATOM 1022 N MET A 511 12.396 3.732 -4.474 1.00 0.00 N ATOM 1023 CA MET A 511 12.039 3.344 -3.114 1.00 0.00 C ATOM 1024 C MET A 511 10.817 2.433 -3.111 1.00 0.00 C ATOM 1025 O MET A 511 9.805 2.733 -3.746 1.00 0.00 O ATOM 1026 CB MET A 511 11.767 4.585 -2.262 1.00 0.00 C ATOM 1027 CG MET A 511 12.993 5.460 -2.054 1.00 0.00 C ATOM 1028 SD MET A 511 12.693 6.810 -0.897 1.00 0.00 S ATOM 1029 CE MET A 511 11.346 7.663 -1.713 1.00 0.00 C ATOM 0 H MET A 511 11.886 4.541 -4.830 1.00 0.00 H new ATOM 0 HA MET A 511 12.879 2.796 -2.687 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.984 5.177 -2.737 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.385 4.272 -1.290 1.00 0.00 H new ATOM 0 HG2 MET A 511 13.815 4.846 -1.685 1.00 0.00 H new ATOM 0 HG3 MET A 511 13.308 5.871 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.235 8.660 -1.286 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.560 7.746 -2.778 1.00 0.00 H new ATOM 0 HE3 MET A 511 10.422 7.103 -1.572 1.00 0.00 H new ATOM 1039 N HIS A 512 10.916 1.320 -2.393 1.00 0.00 N ATOM 1040 CA HIS A 512 9.817 0.363 -2.306 1.00 0.00 C ATOM 1041 C HIS A 512 9.523 0.004 -0.854 1.00 0.00 C ATOM 1042 O HIS A 512 10.381 0.147 0.017 1.00 0.00 O ATOM 1043 CB HIS A 512 10.151 -0.901 -3.099 1.00 0.00 C ATOM 1044 CG HIS A 512 10.312 -0.663 -4.568 1.00 0.00 C ATOM 1045 ND1 HIS A 512 9.409 -0.700 -5.576 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 11.520 -0.343 -5.151 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 10.082 -0.406 -6.737 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 11.353 -0.193 -6.453 1.00 0.00 N flip ATOM 0 H HIS A 512 11.746 1.057 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 512 8.928 0.827 -2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.072 -1.333 -2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.362 -1.637 -2.943 1.00 0.00 H new ATOM 0 HD1 HIS A 512 8.414 -0.908 -5.490 1.00 0.00 H new ATOM 0 HD2 HIS A 512 12.457 -0.232 -4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.642 -0.357 -7.722 1.00 0.00 H new ATOM 1057 N PHE A 513 8.306 -0.464 -0.599 1.00 0.00 N ATOM 1058 CA PHE A 513 7.900 -0.844 0.748 1.00 0.00 C ATOM 1059 C PHE A 513 7.803 -2.361 0.878 1.00 0.00 C ATOM 1060 O PHE A 513 7.107 -3.017 0.103 1.00 0.00 O ATOM 1061 CB PHE A 513 6.557 -0.204 1.100 1.00 0.00 C ATOM 1062 CG PHE A 513 6.604 1.297 1.152 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.997 1.952 2.308 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.252 2.052 0.044 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.041 3.331 2.358 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.293 3.432 0.089 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.688 4.073 1.248 1.00 0.00 C ATOM 0 H PHE A 513 7.584 -0.589 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 513 8.658 -0.484 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.813 -0.511 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.225 -0.583 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.272 1.377 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.942 1.556 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.351 3.829 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.017 4.010 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.721 5.152 1.286 1.00 0.00 H new ATOM 1077 N SER A 514 8.504 -2.912 1.864 1.00 0.00 N ATOM 1078 CA SER A 514 8.496 -4.352 2.096 1.00 0.00 C ATOM 1079 C SER A 514 8.112 -4.666 3.538 1.00 0.00 C ATOM 1080 O SER A 514 8.465 -3.929 4.459 1.00 0.00 O ATOM 1081 CB SER A 514 9.869 -4.947 1.781 1.00 0.00 C ATOM 1082 OG SER A 514 9.841 -6.362 1.862 1.00 0.00 O ATOM 0 H SER A 514 9.085 -2.383 2.515 1.00 0.00 H new ATOM 0 HA SER A 514 7.754 -4.799 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.180 -4.643 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.608 -4.554 2.479 1.00 0.00 H new ATOM 0 HG SER A 514 10.730 -6.719 1.655 1.00 0.00 H new ATOM 1088 N LEU A 515 7.384 -5.762 3.727 1.00 0.00 N ATOM 1089 CA LEU A 515 6.951 -6.170 5.058 1.00 0.00 C ATOM 1090 C LEU A 515 7.401 -7.596 5.364 1.00 0.00 C ATOM 1091 O LEU A 515 7.290 -8.487 4.521 1.00 0.00 O ATOM 1092 CB LEU A 515 5.429 -6.061 5.177 1.00 0.00 C ATOM 1093 CG LEU A 515 4.934 -5.162 6.315 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.167 -3.970 5.761 1.00 0.00 C ATOM 1095 CD2 LEU A 515 4.066 -5.953 7.283 1.00 0.00 C ATOM 0 H LEU A 515 7.082 -6.383 2.976 1.00 0.00 H new ATOM 0 HA LEU A 515 7.412 -5.502 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.032 -5.682 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.018 -7.060 5.318 1.00 0.00 H new ATOM 0 HG LEU A 515 5.802 -4.789 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.824 -3.344 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.820 -3.388 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.308 -4.323 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 515 3.724 -5.298 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 515 3.204 -6.357 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 515 4.647 -6.772 7.707 1.00 0.00 H new ATOM 1107 N LYS A 516 7.906 -7.804 6.575 1.00 0.00 N ATOM 1108 CA LYS A 516 8.371 -9.122 6.993 1.00 0.00 C ATOM 1109 C LYS A 516 7.353 -9.793 7.909 1.00 0.00 C ATOM 1110 O LYS A 516 7.024 -9.272 8.975 1.00 0.00 O ATOM 1111 CB LYS A 516 9.719 -9.006 7.708 1.00 0.00 C ATOM 1112 CG LYS A 516 10.360 -10.349 8.017 1.00 0.00 C ATOM 1113 CD LYS A 516 10.981 -10.969 6.777 1.00 0.00 C ATOM 1114 CE LYS A 516 11.710 -12.262 7.106 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.879 -12.029 7.999 1.00 0.00 N ATOM 0 H LYS A 516 8.004 -7.078 7.284 1.00 0.00 H new ATOM 0 HA LYS A 516 8.491 -9.737 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.400 -8.421 7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 516 9.581 -8.456 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 516 11.125 -10.220 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 516 9.610 -11.026 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 516 10.203 -11.166 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.677 -10.262 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.020 -12.956 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.047 -12.734 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 13.491 -12.870 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.418 -11.208 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 12.545 -11.846 8.967 1.00 0.00 H new ATOM 1129 N GLU A 517 6.858 -10.952 7.486 1.00 0.00 N ATOM 1130 CA GLU A 517 5.877 -11.695 8.269 1.00 0.00 C ATOM 1131 C GLU A 517 5.744 -13.127 7.759 1.00 0.00 C ATOM 1132 O GLU A 517 6.232 -14.047 8.449 1.00 0.00 O ATOM 1133 CB GLU A 517 4.517 -10.996 8.219 1.00 0.00 C ATOM 1134 CG GLU A 517 3.480 -11.614 9.145 1.00 0.00 C ATOM 1135 CD GLU A 517 2.116 -10.964 9.013 1.00 0.00 C ATOM 1136 OE1 GLU A 517 1.940 -10.131 8.099 1.00 0.00 O ATOM 1137 OE2 GLU A 517 1.223 -11.290 9.824 1.00 0.00 O ATOM 1138 OXT GLU A 517 5.156 -13.315 6.674 1.00 0.00 O ATOM 0 H GLU A 517 7.120 -11.397 6.606 1.00 0.00 H new ATOM 0 HA GLU A 517 6.224 -11.727 9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 517 4.647 -9.946 8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.141 -11.024 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 517 3.393 -12.679 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.822 -11.526 10.176 1.00 0.00 H new TER 1145 GLU A 517