USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 332 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 441 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 165:sc= 0.838 (180deg=0.372) USER MOD Single : A 425 SER OG : rot -50:sc= 0.402 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 433 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 445 LYS NZ :NH3+ 172:sc=-0.00914 (180deg=-0.086) USER MOD Single : A 447 LYS NZ :NH3+ -110:sc= 0.716 (180deg=-0.337) USER MOD Single : A 449 LYS NZ :NH3+ -106:sc= 0.965 (180deg=-0.313) USER MOD Single : A 452 LYS NZ :NH3+ -171:sc= -0.0154 (180deg=-0.127) USER MOD Single : A 455 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.648) USER MOD Single : A 456 SER OG : rot 180:sc= 0.00445 USER MOD Single : A 460 LYS NZ :NH3+ 168:sc= -0.0132 (180deg=-0.165) USER MOD Single : A 465 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 467 LYS NZ :NH3+ 179:sc= 0.822 (180deg=0.757) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -41.566 4.217 5.641 1.00 0.00 N ATOM 2 CA GLY A 421 -40.320 3.414 5.648 1.00 0.00 C ATOM 3 C GLY A 421 -39.500 3.654 6.896 1.00 0.00 C ATOM 4 O GLY A 421 -39.228 4.801 7.260 1.00 0.00 O ATOM 0 HA2 GLY A 421 -40.570 2.356 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -39.724 3.661 4.769 1.00 0.00 H new ATOM 10 N THR A 422 -39.127 2.577 7.570 1.00 0.00 N ATOM 11 CA THR A 422 -38.349 2.677 8.793 1.00 0.00 C ATOM 12 C THR A 422 -36.855 2.790 8.478 1.00 0.00 C ATOM 13 O THR A 422 -36.123 3.530 9.139 1.00 0.00 O ATOM 14 CB THR A 422 -38.621 1.472 9.734 1.00 0.00 C ATOM 15 OG1 THR A 422 -37.939 1.643 10.983 1.00 0.00 O ATOM 16 CG2 THR A 422 -38.195 0.153 9.100 1.00 0.00 C ATOM 0 H THR A 422 -39.351 1.622 7.289 1.00 0.00 H new ATOM 0 HA THR A 422 -38.661 3.583 9.312 1.00 0.00 H new ATOM 0 HB THR A 422 -39.696 1.437 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 422 -38.123 0.875 11.564 1.00 0.00 H new ATOM 0 HG21 THR A 422 -38.402 -0.666 9.789 1.00 0.00 H new ATOM 0 HG22 THR A 422 -38.751 -0.002 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 422 -37.128 0.182 8.881 1.00 0.00 H new ATOM 24 N LYS A 423 -36.417 2.091 7.437 1.00 0.00 N ATOM 25 CA LYS A 423 -35.018 2.112 7.032 1.00 0.00 C ATOM 26 C LYS A 423 -34.731 3.305 6.120 1.00 0.00 C ATOM 27 O LYS A 423 -34.210 3.151 5.013 1.00 0.00 O ATOM 28 CB LYS A 423 -34.651 0.804 6.328 1.00 0.00 C ATOM 29 CG LYS A 423 -33.154 0.575 6.199 1.00 0.00 C ATOM 30 CD LYS A 423 -32.838 -0.470 5.143 1.00 0.00 C ATOM 31 CE LYS A 423 -33.295 -0.027 3.762 1.00 0.00 C ATOM 32 NZ LYS A 423 -32.703 1.285 3.376 1.00 0.00 N ATOM 0 H LYS A 423 -37.014 1.501 6.857 1.00 0.00 H new ATOM 0 HA LYS A 423 -34.405 2.214 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -35.090 -0.029 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -35.097 0.800 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -32.662 1.513 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -32.750 0.256 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -31.765 -0.660 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -33.324 -1.410 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -33.015 -0.782 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -34.382 0.046 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -32.825 1.434 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -33.181 2.048 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -31.689 1.290 3.608 1.00 0.00 H new ATOM 46 N ALA A 424 -35.081 4.496 6.579 1.00 0.00 N ATOM 47 CA ALA A 424 -34.841 5.704 5.810 1.00 0.00 C ATOM 48 C ALA A 424 -33.609 6.434 6.326 1.00 0.00 C ATOM 49 O ALA A 424 -33.539 6.779 7.506 1.00 0.00 O ATOM 50 CB ALA A 424 -36.056 6.613 5.854 1.00 0.00 C ATOM 0 H ALA A 424 -35.532 4.651 7.481 1.00 0.00 H new ATOM 0 HA ALA A 424 -34.661 5.419 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -35.858 7.513 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -36.916 6.091 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -36.268 6.888 6.887 1.00 0.00 H new ATOM 56 N SER A 425 -32.646 6.659 5.435 1.00 0.00 N ATOM 57 CA SER A 425 -31.405 7.357 5.771 1.00 0.00 C ATOM 58 C SER A 425 -30.656 6.632 6.889 1.00 0.00 C ATOM 59 O SER A 425 -30.063 7.260 7.766 1.00 0.00 O ATOM 60 CB SER A 425 -31.699 8.810 6.177 1.00 0.00 C ATOM 61 OG SER A 425 -30.504 9.572 6.308 1.00 0.00 O ATOM 0 H SER A 425 -32.703 6.363 4.460 1.00 0.00 H new ATOM 0 HA SER A 425 -30.770 7.364 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 425 -32.346 9.272 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 425 -32.243 8.821 7.121 1.00 0.00 H new ATOM 0 HG SER A 425 -29.870 9.091 6.880 1.00 0.00 H new ATOM 67 N LYS A 426 -30.662 5.311 6.846 1.00 0.00 N ATOM 68 CA LYS A 426 -29.953 4.522 7.843 1.00 0.00 C ATOM 69 C LYS A 426 -28.510 4.302 7.406 1.00 0.00 C ATOM 70 O LYS A 426 -27.612 4.213 8.242 1.00 0.00 O ATOM 71 CB LYS A 426 -30.649 3.178 8.068 1.00 0.00 C ATOM 72 CG LYS A 426 -32.131 3.303 8.384 1.00 0.00 C ATOM 73 CD LYS A 426 -32.385 4.016 9.703 1.00 0.00 C ATOM 74 CE LYS A 426 -31.919 3.186 10.885 1.00 0.00 C ATOM 75 NZ LYS A 426 -32.378 3.749 12.184 1.00 0.00 N ATOM 0 H LYS A 426 -31.147 4.763 6.136 1.00 0.00 H new ATOM 0 HA LYS A 426 -29.959 5.071 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -30.527 2.562 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -30.155 2.655 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -32.627 3.846 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -32.577 2.309 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -31.867 4.975 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -33.449 4.228 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -32.292 2.167 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -30.830 3.129 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -32.036 3.150 12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -32.001 4.712 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -33.417 3.780 12.201 1.00 0.00 H new ATOM 89 N SER A 427 -28.305 4.223 6.086 1.00 0.00 N ATOM 90 CA SER A 427 -26.985 3.989 5.494 1.00 0.00 C ATOM 91 C SER A 427 -26.534 2.546 5.733 1.00 0.00 C ATOM 92 O SER A 427 -26.936 1.911 6.711 1.00 0.00 O ATOM 93 CB SER A 427 -25.951 4.987 6.038 1.00 0.00 C ATOM 94 OG SER A 427 -24.688 4.841 5.411 1.00 0.00 O ATOM 0 H SER A 427 -29.052 4.320 5.398 1.00 0.00 H new ATOM 0 HA SER A 427 -27.064 4.146 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 427 -26.315 6.003 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 427 -25.840 4.844 7.113 1.00 0.00 H new ATOM 0 HG SER A 427 -24.060 5.495 5.784 1.00 0.00 H new ATOM 100 N GLY A 428 -25.819 1.986 4.764 1.00 0.00 N ATOM 101 CA GLY A 428 -25.427 0.592 4.845 1.00 0.00 C ATOM 102 C GLY A 428 -24.466 0.321 5.982 1.00 0.00 C ATOM 103 O GLY A 428 -24.763 -0.477 6.874 1.00 0.00 O ATOM 0 H GLY A 428 -25.504 2.472 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -26.317 -0.025 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -24.964 0.294 3.904 1.00 0.00 H new ATOM 107 N VAL A 429 -23.323 0.990 5.965 1.00 0.00 N ATOM 108 CA VAL A 429 -22.315 0.812 7.005 1.00 0.00 C ATOM 109 C VAL A 429 -21.617 2.133 7.304 1.00 0.00 C ATOM 110 O VAL A 429 -20.994 2.730 6.417 1.00 0.00 O ATOM 111 CB VAL A 429 -21.236 -0.231 6.602 1.00 0.00 C ATOM 112 CG1 VAL A 429 -20.185 -0.376 7.696 1.00 0.00 C ATOM 113 CG2 VAL A 429 -21.861 -1.585 6.288 1.00 0.00 C ATOM 0 H VAL A 429 -23.068 1.663 5.242 1.00 0.00 H new ATOM 0 HA VAL A 429 -22.841 0.450 7.889 1.00 0.00 H new ATOM 0 HB VAL A 429 -20.750 0.135 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -19.441 -1.112 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -19.698 0.585 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -20.663 -0.705 8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -21.079 -2.291 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -22.388 -1.955 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -22.564 -1.478 5.462 1.00 0.00 H new ATOM 123 N PRO A 430 -21.683 2.596 8.564 1.00 0.00 N ATOM 124 CA PRO A 430 -20.980 3.805 8.992 1.00 0.00 C ATOM 125 C PRO A 430 -19.471 3.579 9.017 1.00 0.00 C ATOM 126 O PRO A 430 -18.997 2.569 9.547 1.00 0.00 O ATOM 127 CB PRO A 430 -21.519 4.057 10.400 1.00 0.00 C ATOM 128 CG PRO A 430 -21.944 2.715 10.894 1.00 0.00 C ATOM 129 CD PRO A 430 -22.385 1.936 9.683 1.00 0.00 C ATOM 0 HA PRO A 430 -21.142 4.648 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -20.754 4.491 11.044 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -22.356 4.755 10.384 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -21.122 2.210 11.402 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -22.757 2.806 11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -22.111 0.884 9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -23.467 1.974 9.555 1.00 0.00 H new ATOM 137 N VAL A 431 -18.732 4.465 8.367 1.00 0.00 N ATOM 138 CA VAL A 431 -17.290 4.298 8.223 1.00 0.00 C ATOM 139 C VAL A 431 -16.580 4.283 9.579 1.00 0.00 C ATOM 140 O VAL A 431 -16.768 5.170 10.414 1.00 0.00 O ATOM 141 CB VAL A 431 -16.666 5.391 7.323 1.00 0.00 C ATOM 142 CG1 VAL A 431 -17.141 5.234 5.887 1.00 0.00 C ATOM 143 CG2 VAL A 431 -16.994 6.788 7.839 1.00 0.00 C ATOM 0 H VAL A 431 -19.105 5.308 7.930 1.00 0.00 H new ATOM 0 HA VAL A 431 -17.145 3.330 7.742 1.00 0.00 H new ATOM 0 HB VAL A 431 -15.583 5.267 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -16.692 6.011 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -16.845 4.255 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -18.227 5.324 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -16.541 7.533 7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -18.075 6.926 7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -16.600 6.905 8.849 1.00 0.00 H new ATOM 153 N THR A 432 -15.776 3.256 9.789 1.00 0.00 N ATOM 154 CA THR A 432 -15.005 3.124 11.010 1.00 0.00 C ATOM 155 C THR A 432 -13.675 3.852 10.879 1.00 0.00 C ATOM 156 O THR A 432 -13.275 4.614 11.762 1.00 0.00 O ATOM 157 CB THR A 432 -14.756 1.643 11.341 1.00 0.00 C ATOM 158 OG1 THR A 432 -14.564 0.896 10.129 1.00 0.00 O ATOM 159 CG2 THR A 432 -15.916 1.060 12.129 1.00 0.00 C ATOM 0 H THR A 432 -15.640 2.496 9.123 1.00 0.00 H new ATOM 0 HA THR A 432 -15.579 3.572 11.821 1.00 0.00 H new ATOM 0 HB THR A 432 -13.857 1.576 11.954 1.00 0.00 H new ATOM 0 HG1 THR A 432 -14.404 -0.046 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 432 -15.715 0.012 12.350 1.00 0.00 H new ATOM 0 HG22 THR A 432 -16.036 1.611 13.062 1.00 0.00 H new ATOM 0 HG23 THR A 432 -16.831 1.138 11.541 1.00 0.00 H new ATOM 167 N GLN A 433 -13.024 3.650 9.743 1.00 0.00 N ATOM 168 CA GLN A 433 -11.753 4.294 9.452 1.00 0.00 C ATOM 169 C GLN A 433 -11.759 4.829 8.022 1.00 0.00 C ATOM 170 O GLN A 433 -12.788 5.301 7.536 1.00 0.00 O ATOM 171 CB GLN A 433 -10.601 3.302 9.641 1.00 0.00 C ATOM 172 CG GLN A 433 -10.504 2.721 11.045 1.00 0.00 C ATOM 173 CD GLN A 433 -9.383 1.706 11.194 1.00 0.00 C ATOM 174 OE1 GLN A 433 -8.550 1.570 10.173 1.00 0.00 O flip ATOM 175 NE2 GLN A 433 -9.255 1.061 12.237 1.00 0.00 N flip ATOM 0 H GLN A 433 -13.361 3.038 9.000 1.00 0.00 H new ATOM 0 HA GLN A 433 -11.611 5.126 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -10.719 2.485 8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -9.663 3.802 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -10.349 3.531 11.757 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -11.451 2.247 11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -9.916 1.193 13.002 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -8.488 0.396 12.334 1.00 0.00 H new ATOM 184 N THR A 434 -10.625 4.730 7.344 1.00 0.00 N ATOM 185 CA THR A 434 -10.514 5.184 5.969 1.00 0.00 C ATOM 186 C THR A 434 -11.087 4.138 5.013 1.00 0.00 C ATOM 187 O THR A 434 -10.806 2.942 5.143 1.00 0.00 O ATOM 188 CB THR A 434 -9.042 5.482 5.610 1.00 0.00 C ATOM 189 OG1 THR A 434 -8.476 6.349 6.605 1.00 0.00 O ATOM 190 CG2 THR A 434 -8.930 6.135 4.239 1.00 0.00 C ATOM 0 H THR A 434 -9.766 4.337 7.728 1.00 0.00 H new ATOM 0 HA THR A 434 -11.089 6.105 5.867 1.00 0.00 H new ATOM 0 HB THR A 434 -8.497 4.539 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 434 -7.541 6.538 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 434 -7.882 6.333 4.015 1.00 0.00 H new ATOM 0 HG22 THR A 434 -9.343 5.467 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 434 -9.485 7.073 4.237 1.00 0.00 H new ATOM 198 N GLN A 435 -11.934 4.586 4.094 1.00 0.00 N ATOM 199 CA GLN A 435 -12.597 3.697 3.145 1.00 0.00 C ATOM 200 C GLN A 435 -11.609 3.098 2.148 1.00 0.00 C ATOM 201 O GLN A 435 -10.496 3.606 1.973 1.00 0.00 O ATOM 202 CB GLN A 435 -13.701 4.446 2.399 1.00 0.00 C ATOM 203 CG GLN A 435 -13.202 5.640 1.601 1.00 0.00 C ATOM 204 CD GLN A 435 -14.300 6.317 0.802 1.00 0.00 C ATOM 205 OE1 GLN A 435 -15.480 5.715 0.773 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -14.082 7.364 0.194 1.00 0.00 N flip ATOM 0 H GLN A 435 -12.180 5.570 3.985 1.00 0.00 H new ATOM 0 HA GLN A 435 -13.037 2.878 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -14.204 3.754 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -14.446 4.787 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -12.756 6.365 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -12.414 5.313 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -13.160 7.798 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -14.823 7.798 -0.356 1.00 0.00 H new ATOM 215 N THR A 436 -12.012 1.990 1.536 1.00 0.00 N ATOM 216 CA THR A 436 -11.181 1.274 0.578 1.00 0.00 C ATOM 217 C THR A 436 -10.722 2.175 -0.567 1.00 0.00 C ATOM 218 O THR A 436 -11.496 2.983 -1.087 1.00 0.00 O ATOM 219 CB THR A 436 -11.939 0.060 0.012 1.00 0.00 C ATOM 220 OG1 THR A 436 -13.325 0.395 -0.186 1.00 0.00 O ATOM 221 CG2 THR A 436 -11.827 -1.130 0.952 1.00 0.00 C ATOM 0 H THR A 436 -12.925 1.563 1.691 1.00 0.00 H new ATOM 0 HA THR A 436 -10.294 0.934 1.112 1.00 0.00 H new ATOM 0 HB THR A 436 -11.492 -0.209 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 436 -13.801 -0.382 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 436 -12.370 -1.977 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 436 -10.778 -1.397 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 436 -12.253 -0.870 1.921 1.00 0.00 H new ATOM 229 N ALA A 437 -9.449 2.067 -0.921 1.00 0.00 N ATOM 230 CA ALA A 437 -8.870 2.895 -1.967 1.00 0.00 C ATOM 231 C ALA A 437 -9.339 2.454 -3.349 1.00 0.00 C ATOM 232 O ALA A 437 -9.784 3.274 -4.156 1.00 0.00 O ATOM 233 CB ALA A 437 -7.354 2.859 -1.883 1.00 0.00 C ATOM 0 H ALA A 437 -8.795 1.410 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 437 -9.210 3.919 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -6.931 3.482 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -7.034 3.236 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -7.007 1.833 -2.006 1.00 0.00 H new ATOM 239 N GLY A 438 -9.277 1.155 -3.605 1.00 0.00 N ATOM 240 CA GLY A 438 -9.717 0.627 -4.880 1.00 0.00 C ATOM 241 C GLY A 438 -9.588 -0.879 -4.953 1.00 0.00 C ATOM 242 O GLY A 438 -10.576 -1.584 -5.170 1.00 0.00 O ATOM 0 H GLY A 438 -8.929 0.455 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -10.756 0.909 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -9.130 1.079 -5.680 1.00 0.00 H new ATOM 246 N ALA A 439 -8.394 -1.379 -4.674 1.00 0.00 N ATOM 247 CA ALA A 439 -8.159 -2.813 -4.631 1.00 0.00 C ATOM 248 C ALA A 439 -7.447 -3.181 -3.342 1.00 0.00 C ATOM 249 O ALA A 439 -6.407 -2.606 -3.009 1.00 0.00 O ATOM 250 CB ALA A 439 -7.348 -3.259 -5.838 1.00 0.00 C ATOM 0 H ALA A 439 -7.571 -0.811 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 439 -9.119 -3.328 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -7.183 -4.335 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -7.892 -3.018 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -6.387 -2.744 -5.841 1.00 0.00 H new ATOM 256 N ASP A 440 -8.065 -4.065 -2.572 1.00 0.00 N ATOM 257 CA ASP A 440 -7.550 -4.432 -1.260 1.00 0.00 C ATOM 258 C ASP A 440 -6.296 -5.290 -1.376 1.00 0.00 C ATOM 259 O ASP A 440 -6.281 -6.295 -2.086 1.00 0.00 O ATOM 260 CB ASP A 440 -8.630 -5.167 -0.456 1.00 0.00 C ATOM 261 CG ASP A 440 -8.173 -5.531 0.942 1.00 0.00 C ATOM 262 OD1 ASP A 440 -7.452 -6.536 1.101 1.00 0.00 O ATOM 263 OD2 ASP A 440 -8.514 -4.796 1.892 1.00 0.00 O ATOM 0 H ASP A 440 -8.927 -4.543 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 440 -7.278 -3.516 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -9.519 -4.539 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -8.918 -6.074 -0.987 1.00 0.00 H new ATOM 268 N THR A 441 -5.249 -4.880 -0.673 1.00 0.00 N ATOM 269 CA THR A 441 -3.986 -5.595 -0.681 1.00 0.00 C ATOM 270 C THR A 441 -3.068 -5.071 0.430 1.00 0.00 C ATOM 271 O THR A 441 -2.745 -3.876 0.475 1.00 0.00 O ATOM 272 CB THR A 441 -3.285 -5.479 -2.062 1.00 0.00 C ATOM 273 OG1 THR A 441 -2.008 -6.126 -2.042 1.00 0.00 O ATOM 274 CG2 THR A 441 -3.110 -4.026 -2.481 1.00 0.00 C ATOM 0 H THR A 441 -5.253 -4.047 -0.085 1.00 0.00 H new ATOM 0 HA THR A 441 -4.194 -6.649 -0.496 1.00 0.00 H new ATOM 0 HB THR A 441 -3.928 -5.974 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 441 -1.585 -6.042 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 441 -2.616 -3.984 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 441 -4.087 -3.547 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 441 -2.502 -3.505 -1.742 1.00 0.00 H new ATOM 282 N THR A 442 -2.689 -5.971 1.338 1.00 0.00 N ATOM 283 CA THR A 442 -1.819 -5.648 2.469 1.00 0.00 C ATOM 284 C THR A 442 -2.524 -4.743 3.495 1.00 0.00 C ATOM 285 O THR A 442 -2.863 -5.188 4.594 1.00 0.00 O ATOM 286 CB THR A 442 -0.512 -4.987 1.975 1.00 0.00 C ATOM 287 OG1 THR A 442 0.121 -5.840 1.007 1.00 0.00 O ATOM 288 CG2 THR A 442 0.450 -4.719 3.124 1.00 0.00 C ATOM 0 H THR A 442 -2.978 -6.949 1.309 1.00 0.00 H new ATOM 0 HA THR A 442 -1.575 -6.584 2.971 1.00 0.00 H new ATOM 0 HB THR A 442 -0.769 -4.030 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 442 0.949 -5.420 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 442 1.357 -4.254 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 442 -0.021 -4.051 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 442 0.704 -5.660 3.613 1.00 0.00 H new ATOM 296 N ALA A 443 -2.830 -3.521 3.078 1.00 0.00 N ATOM 297 CA ALA A 443 -3.558 -2.545 3.886 1.00 0.00 C ATOM 298 C ALA A 443 -3.756 -1.281 3.062 1.00 0.00 C ATOM 299 O ALA A 443 -4.857 -0.736 2.970 1.00 0.00 O ATOM 300 CB ALA A 443 -2.813 -2.222 5.178 1.00 0.00 C ATOM 0 H ALA A 443 -2.576 -3.172 2.154 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.523 -2.967 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -3.383 -1.493 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -2.690 -3.132 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -1.833 -1.809 4.939 1.00 0.00 H new ATOM 306 N GLU A 444 -2.681 -0.873 2.404 1.00 0.00 N ATOM 307 CA GLU A 444 -2.685 0.258 1.511 1.00 0.00 C ATOM 308 C GLU A 444 -1.546 0.077 0.510 1.00 0.00 C ATOM 309 O GLU A 444 -0.682 0.947 0.355 1.00 0.00 O ATOM 310 CB GLU A 444 -2.531 1.557 2.301 1.00 0.00 C ATOM 311 CG GLU A 444 -2.649 2.796 1.443 1.00 0.00 C ATOM 312 CD GLU A 444 -2.563 4.077 2.242 1.00 0.00 C ATOM 313 OE1 GLU A 444 -1.549 4.288 2.941 1.00 0.00 O ATOM 314 OE2 GLU A 444 -3.503 4.891 2.160 1.00 0.00 O ATOM 0 H GLU A 444 -1.772 -1.330 2.482 1.00 0.00 H new ATOM 0 HA GLU A 444 -3.632 0.317 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -3.290 1.591 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -1.561 1.559 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.859 2.788 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -3.598 2.771 0.907 1.00 0.00 H new ATOM 321 N LYS A 445 -1.461 -1.156 -0.007 1.00 0.00 N ATOM 322 CA LYS A 445 -0.375 -1.610 -0.865 1.00 0.00 C ATOM 323 C LYS A 445 0.888 -1.827 -0.051 1.00 0.00 C ATOM 324 O LYS A 445 1.413 -2.939 -0.005 1.00 0.00 O ATOM 325 CB LYS A 445 -0.128 -0.622 -1.998 1.00 0.00 C ATOM 326 CG LYS A 445 -1.185 -0.659 -3.090 1.00 0.00 C ATOM 327 CD LYS A 445 -0.902 0.366 -4.176 1.00 0.00 C ATOM 328 CE LYS A 445 -1.883 0.245 -5.331 1.00 0.00 C ATOM 329 NZ LYS A 445 -3.287 0.477 -4.903 1.00 0.00 N ATOM 0 H LYS A 445 -2.163 -1.875 0.167 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.665 -2.562 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -0.082 0.386 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.846 -0.829 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -1.220 -1.656 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -2.166 -0.468 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -0.959 1.369 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 445 0.115 0.233 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 445 -1.618 0.963 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -1.799 -0.748 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -3.903 0.519 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -3.595 -0.301 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -3.348 1.376 -4.383 1.00 0.00 H new ATOM 343 N CYS A 446 1.265 -0.781 0.679 1.00 0.00 N ATOM 344 CA CYS A 446 2.394 -0.781 1.608 1.00 0.00 C ATOM 345 C CYS A 446 2.872 0.657 1.825 1.00 0.00 C ATOM 346 O CYS A 446 3.931 0.896 2.406 1.00 0.00 O ATOM 347 CB CYS A 446 3.530 -1.639 1.065 1.00 0.00 C ATOM 348 SG CYS A 446 4.733 -2.197 2.307 1.00 0.00 S ATOM 0 H CYS A 446 0.781 0.116 0.640 1.00 0.00 H new ATOM 0 HA CYS A 446 2.074 -1.203 2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.102 -2.515 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.058 -1.073 0.298 1.00 0.00 H new ATOM 353 N LYS A 447 2.111 1.611 1.286 1.00 0.00 N ATOM 354 CA LYS A 447 2.491 3.019 1.318 1.00 0.00 C ATOM 355 C LYS A 447 2.561 3.544 2.745 1.00 0.00 C ATOM 356 O LYS A 447 1.658 3.312 3.548 1.00 0.00 O ATOM 357 CB LYS A 447 1.498 3.856 0.505 1.00 0.00 C ATOM 358 CG LYS A 447 1.891 5.319 0.388 1.00 0.00 C ATOM 359 CD LYS A 447 0.835 6.132 -0.347 1.00 0.00 C ATOM 360 CE LYS A 447 -0.506 6.109 0.376 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.400 6.608 1.775 1.00 0.00 N ATOM 0 H LYS A 447 1.222 1.429 0.820 1.00 0.00 H new ATOM 0 HA LYS A 447 3.483 3.104 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 447 1.410 3.431 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.514 3.788 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 447 2.042 5.735 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.842 5.399 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.175 7.163 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.710 5.738 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.223 6.720 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.895 5.091 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.531 5.817 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.539 7.031 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.133 7.326 1.944 1.00 0.00 H new ATOM 375 N GLY A 448 3.645 4.231 3.055 1.00 0.00 N ATOM 376 CA GLY A 448 3.829 4.768 4.384 1.00 0.00 C ATOM 377 C GLY A 448 5.253 4.589 4.854 1.00 0.00 C ATOM 378 O GLY A 448 5.833 5.478 5.475 1.00 0.00 O ATOM 0 H GLY A 448 4.406 4.428 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.572 5.827 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 448 3.150 4.271 5.077 1.00 0.00 H new ATOM 382 N LYS A 449 5.820 3.435 4.525 1.00 0.00 N ATOM 383 CA LYS A 449 7.196 3.114 4.884 1.00 0.00 C ATOM 384 C LYS A 449 8.170 4.016 4.144 1.00 0.00 C ATOM 385 O LYS A 449 7.968 4.320 2.969 1.00 0.00 O ATOM 386 CB LYS A 449 7.504 1.650 4.548 1.00 0.00 C ATOM 387 CG LYS A 449 6.517 0.672 5.151 1.00 0.00 C ATOM 388 CD LYS A 449 6.553 0.714 6.667 1.00 0.00 C ATOM 389 CE LYS A 449 7.782 0.011 7.217 1.00 0.00 C ATOM 390 NZ LYS A 449 7.895 0.158 8.691 1.00 0.00 N ATOM 0 H LYS A 449 5.342 2.699 4.005 1.00 0.00 H new ATOM 0 HA LYS A 449 7.311 3.273 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 449 7.510 1.527 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.506 1.407 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.511 0.906 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 449 6.746 -0.337 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.545 1.751 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 449 5.655 0.243 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 449 7.739 -1.048 6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 449 8.675 0.418 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 8.652 0.835 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.994 0.507 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 8.118 -0.765 9.116 1.00 0.00 H new ATOM 404 N GLY A 450 9.249 4.386 4.820 1.00 0.00 N ATOM 405 CA GLY A 450 10.304 5.161 4.192 1.00 0.00 C ATOM 406 C GLY A 450 11.064 4.335 3.174 1.00 0.00 C ATOM 407 O GLY A 450 10.882 3.124 3.113 1.00 0.00 O ATOM 0 H GLY A 450 9.414 4.161 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.874 6.036 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.993 5.526 4.954 1.00 0.00 H new ATOM 411 N GLU A 451 11.855 4.988 2.332 1.00 0.00 N ATOM 412 CA GLU A 451 12.560 4.330 1.260 1.00 0.00 C ATOM 413 C GLU A 451 13.428 3.172 1.751 1.00 0.00 C ATOM 414 O GLU A 451 13.242 2.032 1.329 1.00 0.00 O ATOM 415 CB GLU A 451 13.400 5.359 0.501 1.00 0.00 C ATOM 416 CG GLU A 451 14.320 6.231 1.349 1.00 0.00 C ATOM 417 CD GLU A 451 13.628 7.396 2.037 1.00 0.00 C ATOM 418 OE1 GLU A 451 12.388 7.495 1.976 1.00 0.00 O ATOM 419 OE2 GLU A 451 14.333 8.210 2.665 1.00 0.00 O ATOM 0 H GLU A 451 12.021 5.993 2.381 1.00 0.00 H new ATOM 0 HA GLU A 451 11.820 3.893 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 451 14.009 4.831 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 451 12.725 6.011 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 451 14.793 5.607 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 451 15.116 6.621 0.715 1.00 0.00 H new ATOM 426 N LYS A 452 14.336 3.459 2.670 1.00 0.00 N ATOM 427 CA LYS A 452 15.193 2.428 3.247 1.00 0.00 C ATOM 428 C LYS A 452 14.391 1.516 4.167 1.00 0.00 C ATOM 429 O LYS A 452 14.649 0.316 4.247 1.00 0.00 O ATOM 430 CB LYS A 452 16.361 3.050 4.024 1.00 0.00 C ATOM 431 CG LYS A 452 17.517 3.516 3.149 1.00 0.00 C ATOM 432 CD LYS A 452 17.181 4.780 2.375 1.00 0.00 C ATOM 433 CE LYS A 452 18.302 5.175 1.426 1.00 0.00 C ATOM 434 NZ LYS A 452 19.582 5.422 2.141 1.00 0.00 N ATOM 0 H LYS A 452 14.501 4.397 3.035 1.00 0.00 H new ATOM 0 HA LYS A 452 15.598 1.838 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.989 3.899 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 452 16.735 2.320 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 452 18.392 3.697 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 452 17.782 2.724 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 452 16.262 4.626 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 452 16.992 5.595 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 452 18.446 4.386 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 452 18.014 6.073 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 20.274 5.833 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 19.418 6.082 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 19.951 4.524 2.513 1.00 0.00 H new ATOM 448 N ASP A 453 13.447 2.107 4.887 1.00 0.00 N ATOM 449 CA ASP A 453 12.623 1.370 5.843 1.00 0.00 C ATOM 450 C ASP A 453 11.770 0.318 5.130 1.00 0.00 C ATOM 451 O ASP A 453 11.541 -0.770 5.656 1.00 0.00 O ATOM 452 CB ASP A 453 11.742 2.342 6.634 1.00 0.00 C ATOM 453 CG ASP A 453 11.155 1.719 7.883 1.00 0.00 C ATOM 454 OD1 ASP A 453 11.910 1.073 8.639 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.950 1.915 8.143 1.00 0.00 O ATOM 0 H ASP A 453 13.230 3.102 4.828 1.00 0.00 H new ATOM 0 HA ASP A 453 13.279 0.849 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 453 12.332 3.216 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 453 10.933 2.694 5.994 1.00 0.00 H new ATOM 460 N CYS A 454 11.345 0.647 3.914 1.00 0.00 N ATOM 461 CA CYS A 454 10.590 -0.269 3.061 1.00 0.00 C ATOM 462 C CYS A 454 11.394 -1.551 2.817 1.00 0.00 C ATOM 463 O CYS A 454 12.484 -1.511 2.238 1.00 0.00 O ATOM 464 CB CYS A 454 10.287 0.431 1.726 1.00 0.00 C ATOM 465 SG CYS A 454 9.235 -0.511 0.575 1.00 0.00 S ATOM 0 H CYS A 454 11.514 1.559 3.490 1.00 0.00 H new ATOM 0 HA CYS A 454 9.656 -0.541 3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.804 1.385 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 454 11.231 0.655 1.229 1.00 0.00 H new ATOM 470 N LYS A 455 10.881 -2.678 3.301 1.00 0.00 N ATOM 471 CA LYS A 455 11.580 -3.954 3.170 1.00 0.00 C ATOM 472 C LYS A 455 11.274 -4.577 1.819 1.00 0.00 C ATOM 473 O LYS A 455 10.124 -4.627 1.412 1.00 0.00 O ATOM 474 CB LYS A 455 11.188 -4.911 4.297 1.00 0.00 C ATOM 475 CG LYS A 455 11.375 -4.322 5.686 1.00 0.00 C ATOM 476 CD LYS A 455 11.252 -5.383 6.764 1.00 0.00 C ATOM 477 CE LYS A 455 12.534 -6.190 6.906 1.00 0.00 C ATOM 478 NZ LYS A 455 13.691 -5.343 7.306 1.00 0.00 N ATOM 0 H LYS A 455 9.986 -2.735 3.787 1.00 0.00 H new ATOM 0 HA LYS A 455 12.652 -3.768 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 455 10.145 -5.200 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 455 11.783 -5.821 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 455 12.354 -3.847 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 455 10.631 -3.543 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 455 11.013 -4.909 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 455 10.425 -6.052 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 455 12.387 -6.975 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 455 12.757 -6.684 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 14.415 -5.936 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 14.096 -4.887 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 13.372 -4.613 7.975 1.00 0.00 H new ATOM 492 N SER A 456 12.320 -4.949 1.099 1.00 0.00 N ATOM 493 CA SER A 456 12.197 -5.402 -0.286 1.00 0.00 C ATOM 494 C SER A 456 11.313 -6.647 -0.448 1.00 0.00 C ATOM 495 O SER A 456 10.380 -6.627 -1.252 1.00 0.00 O ATOM 496 CB SER A 456 13.589 -5.655 -0.872 1.00 0.00 C ATOM 497 OG SER A 456 14.508 -4.660 -0.447 1.00 0.00 O ATOM 0 H SER A 456 13.277 -4.947 1.452 1.00 0.00 H new ATOM 0 HA SER A 456 11.697 -4.604 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 456 13.944 -6.638 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.533 -5.663 -1.961 1.00 0.00 H new ATOM 0 HG SER A 456 15.390 -4.843 -0.832 1.00 0.00 H new ATOM 503 N PRO A 457 11.588 -7.761 0.271 1.00 0.00 N ATOM 504 CA PRO A 457 10.780 -8.982 0.144 1.00 0.00 C ATOM 505 C PRO A 457 9.312 -8.717 0.459 1.00 0.00 C ATOM 506 O PRO A 457 8.415 -9.310 -0.145 1.00 0.00 O ATOM 507 CB PRO A 457 11.390 -9.936 1.175 1.00 0.00 C ATOM 508 CG PRO A 457 12.774 -9.433 1.383 1.00 0.00 C ATOM 509 CD PRO A 457 12.691 -7.942 1.233 1.00 0.00 C ATOM 0 HA PRO A 457 10.795 -9.382 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 457 10.822 -9.929 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 457 11.393 -10.963 0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 457 13.146 -9.707 2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.460 -9.862 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.480 -7.453 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.625 -7.522 0.859 1.00 0.00 H new ATOM 517 N ASP A 458 9.085 -7.796 1.383 1.00 0.00 N ATOM 518 CA ASP A 458 7.748 -7.399 1.771 1.00 0.00 C ATOM 519 C ASP A 458 7.120 -6.472 0.737 1.00 0.00 C ATOM 520 O ASP A 458 5.968 -6.663 0.342 1.00 0.00 O ATOM 521 CB ASP A 458 7.798 -6.706 3.130 1.00 0.00 C ATOM 522 CG ASP A 458 7.982 -7.682 4.269 1.00 0.00 C ATOM 523 OD1 ASP A 458 7.029 -8.425 4.583 1.00 0.00 O ATOM 524 OD2 ASP A 458 9.088 -7.738 4.843 1.00 0.00 O ATOM 0 H ASP A 458 9.826 -7.305 1.883 1.00 0.00 H new ATOM 0 HA ASP A 458 7.130 -8.294 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.616 -5.985 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.877 -6.144 3.282 1.00 0.00 H new ATOM 529 N CYS A 459 7.860 -5.440 0.336 1.00 0.00 N ATOM 530 CA CYS A 459 7.334 -4.423 -0.565 1.00 0.00 C ATOM 531 C CYS A 459 8.463 -3.808 -1.392 1.00 0.00 C ATOM 532 O CYS A 459 9.510 -3.444 -0.862 1.00 0.00 O ATOM 533 CB CYS A 459 6.642 -3.317 0.243 1.00 0.00 C ATOM 534 SG CYS A 459 5.455 -3.909 1.498 1.00 0.00 S ATOM 0 H CYS A 459 8.827 -5.288 0.623 1.00 0.00 H new ATOM 0 HA CYS A 459 6.615 -4.894 -1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.405 -2.719 0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.119 -2.656 -0.448 1.00 0.00 H new ATOM 539 N LYS A 460 8.228 -3.627 -2.678 1.00 0.00 N ATOM 540 CA LYS A 460 9.210 -2.981 -3.532 1.00 0.00 C ATOM 541 C LYS A 460 9.037 -1.465 -3.480 1.00 0.00 C ATOM 542 O LYS A 460 7.911 -0.960 -3.452 1.00 0.00 O ATOM 543 CB LYS A 460 9.089 -3.477 -4.972 1.00 0.00 C ATOM 544 CG LYS A 460 10.254 -3.055 -5.850 1.00 0.00 C ATOM 545 CD LYS A 460 10.086 -3.557 -7.269 1.00 0.00 C ATOM 546 CE LYS A 460 11.280 -3.197 -8.135 1.00 0.00 C ATOM 547 NZ LYS A 460 12.520 -3.890 -7.697 1.00 0.00 N ATOM 0 H LYS A 460 7.373 -3.915 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 460 10.204 -3.237 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 460 9.019 -4.565 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 460 8.162 -3.099 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 460 10.334 -1.968 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 460 11.184 -3.441 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.956 -4.639 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.181 -3.131 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 460 11.067 -3.458 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 460 11.438 -2.119 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 13.255 -3.780 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 12.853 -3.475 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 12.321 -4.901 -7.556 1.00 0.00 H new ATOM 561 N TRP A 461 10.148 -0.749 -3.476 1.00 0.00 N ATOM 562 CA TRP A 461 10.118 0.705 -3.466 1.00 0.00 C ATOM 563 C TRP A 461 10.042 1.228 -4.895 1.00 0.00 C ATOM 564 O TRP A 461 10.946 0.986 -5.691 1.00 0.00 O ATOM 565 CB TRP A 461 11.370 1.256 -2.779 1.00 0.00 C ATOM 566 CG TRP A 461 11.304 2.730 -2.519 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.010 3.710 -3.151 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.503 3.384 -1.534 1.00 0.00 C ATOM 569 NE1 TRP A 461 11.676 4.936 -2.632 1.00 0.00 N ATOM 570 CE2 TRP A 461 10.756 4.763 -1.633 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.592 2.940 -0.577 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.127 5.695 -0.812 1.00 0.00 C ATOM 573 CZ3 TRP A 461 8.971 3.863 0.234 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.241 5.228 0.114 1.00 0.00 C ATOM 0 H TRP A 461 11.085 -1.151 -3.480 1.00 0.00 H new ATOM 0 HA TRP A 461 9.239 1.036 -2.913 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.517 0.734 -1.834 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.240 1.042 -3.400 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.726 3.546 -3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.053 5.832 -2.941 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.376 1.887 -0.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.333 6.751 -0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.263 3.526 0.976 1.00 0.00 H new ATOM 0 HH2 TRP A 461 8.739 5.927 0.767 1.00 0.00 H new ATOM 585 N GLU A 462 8.973 1.936 -5.220 1.00 0.00 N ATOM 586 CA GLU A 462 8.804 2.480 -6.562 1.00 0.00 C ATOM 587 C GLU A 462 8.006 3.773 -6.529 1.00 0.00 C ATOM 588 O GLU A 462 6.956 3.849 -5.887 1.00 0.00 O ATOM 589 CB GLU A 462 8.110 1.469 -7.480 1.00 0.00 C ATOM 590 CG GLU A 462 9.040 0.401 -8.035 1.00 0.00 C ATOM 591 CD GLU A 462 8.340 -0.550 -8.980 1.00 0.00 C ATOM 592 OE1 GLU A 462 7.103 -0.464 -9.110 1.00 0.00 O ATOM 593 OE2 GLU A 462 9.020 -1.401 -9.589 1.00 0.00 O ATOM 0 H GLU A 462 8.210 2.148 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 462 9.798 2.690 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 462 7.305 0.984 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.650 2.004 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 462 9.868 0.881 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 462 9.470 -0.165 -7.209 1.00 0.00 H new ATOM 600 N GLY A 463 8.520 4.779 -7.226 1.00 0.00 N ATOM 601 CA GLY A 463 7.873 6.078 -7.283 1.00 0.00 C ATOM 602 C GLY A 463 7.712 6.706 -5.915 1.00 0.00 C ATOM 603 O GLY A 463 6.690 7.331 -5.634 1.00 0.00 O ATOM 0 H GLY A 463 9.386 4.717 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 463 8.457 6.744 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 463 6.893 5.972 -7.748 1.00 0.00 H new ATOM 607 N GLY A 464 8.712 6.527 -5.064 1.00 0.00 N ATOM 608 CA GLY A 464 8.653 7.057 -3.716 1.00 0.00 C ATOM 609 C GLY A 464 7.508 6.465 -2.919 1.00 0.00 C ATOM 610 O GLY A 464 6.816 7.171 -2.187 1.00 0.00 O ATOM 0 H GLY A 464 9.569 6.020 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.594 6.852 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 464 8.543 8.141 -3.758 1.00 0.00 H new ATOM 614 N THR A 465 7.264 5.178 -3.111 1.00 0.00 N ATOM 615 CA THR A 465 6.155 4.508 -2.465 1.00 0.00 C ATOM 616 C THR A 465 6.466 3.029 -2.241 1.00 0.00 C ATOM 617 O THR A 465 6.836 2.312 -3.173 1.00 0.00 O ATOM 618 CB THR A 465 4.875 4.639 -3.306 1.00 0.00 C ATOM 619 OG1 THR A 465 4.545 6.022 -3.496 1.00 0.00 O ATOM 620 CG2 THR A 465 3.711 3.922 -2.649 1.00 0.00 C ATOM 0 H THR A 465 7.825 4.576 -3.714 1.00 0.00 H new ATOM 0 HA THR A 465 5.999 4.987 -1.499 1.00 0.00 H new ATOM 0 HB THR A 465 5.063 4.175 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.729 6.093 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 465 2.820 4.032 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 465 3.949 2.864 -2.542 1.00 0.00 H new ATOM 0 HG23 THR A 465 3.526 4.354 -1.665 1.00 0.00 H new ATOM 628 N CYS A 466 6.281 2.584 -1.007 1.00 0.00 N ATOM 629 CA CYS A 466 6.451 1.184 -0.659 1.00 0.00 C ATOM 630 C CYS A 466 5.210 0.426 -1.121 1.00 0.00 C ATOM 631 O CYS A 466 4.094 0.872 -0.865 1.00 0.00 O ATOM 632 CB CYS A 466 6.615 1.054 0.861 1.00 0.00 C ATOM 633 SG CYS A 466 7.404 -0.486 1.445 1.00 0.00 S ATOM 0 H CYS A 466 6.011 3.180 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 466 7.337 0.772 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.203 1.899 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.630 1.133 1.322 1.00 0.00 H new ATOM 638 N LYS A 467 5.384 -0.637 -1.896 1.00 0.00 N ATOM 639 CA LYS A 467 4.233 -1.347 -2.450 1.00 0.00 C ATOM 640 C LYS A 467 4.628 -2.701 -3.020 1.00 0.00 C ATOM 641 O LYS A 467 5.725 -2.867 -3.550 1.00 0.00 O ATOM 642 CB LYS A 467 3.559 -0.507 -3.544 1.00 0.00 C ATOM 643 CG LYS A 467 4.455 -0.233 -4.740 1.00 0.00 C ATOM 644 CD LYS A 467 3.725 0.553 -5.815 1.00 0.00 C ATOM 645 CE LYS A 467 4.569 0.710 -7.067 1.00 0.00 C ATOM 646 NZ LYS A 467 4.863 -0.600 -7.712 1.00 0.00 N ATOM 0 H LYS A 467 6.292 -1.023 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 467 3.531 -1.512 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.661 -1.022 -3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.239 0.443 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.335 0.322 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.808 -1.177 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 467 2.793 0.047 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 467 3.460 1.537 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 467 4.049 1.354 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 467 5.505 1.207 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 5.427 -0.445 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 5.397 -1.200 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 3.971 -1.071 -7.964 1.00 0.00 H new ATOM 660 N ASP A 468 3.704 -3.650 -2.964 1.00 0.00 N ATOM 661 CA ASP A 468 3.920 -4.953 -3.577 1.00 0.00 C ATOM 662 C ASP A 468 3.813 -4.825 -5.089 1.00 0.00 C ATOM 663 O ASP A 468 2.751 -4.377 -5.571 1.00 0.00 O ATOM 664 CB ASP A 468 2.906 -5.975 -3.056 1.00 0.00 C ATOM 665 CG ASP A 468 3.149 -7.370 -3.602 1.00 0.00 C ATOM 666 OD1 ASP A 468 2.849 -7.619 -4.790 1.00 0.00 O ATOM 667 OD2 ASP A 468 3.655 -8.223 -2.842 1.00 0.00 O ATOM 668 OXT ASP A 468 4.802 -5.121 -5.787 1.00 0.00 O ATOM 0 H ASP A 468 2.801 -3.543 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 468 4.917 -5.306 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 468 2.950 -6.002 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.900 -5.653 -3.326 1.00 0.00 H new TER 673 ASP A 468