USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=16 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 Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -165:sc= -0.0438 (180deg=-0.255) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ 151:sc= 1.33 (180deg=0.753) USER MOD Single : A 447 LYS NZ :NH3+ 168:sc= -0.0146 (180deg=-0.217) USER MOD Single : A 449 LYS NZ :NH3+ 160:sc= 0.358 (180deg=-0.0427) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 SER OG : rot 180:sc= 0.00182 USER MOD Single : A 460 LYS NZ :NH3+ 143:sc= 2.42 (180deg=1.36) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -29.676 -14.686 -31.808 1.00 0.00 N ATOM 2 CA GLY A 421 -28.833 -14.551 -30.594 1.00 0.00 C ATOM 3 C GLY A 421 -28.063 -15.817 -30.289 1.00 0.00 C ATOM 4 O GLY A 421 -27.976 -16.237 -29.133 1.00 0.00 O ATOM 0 HA2 GLY A 421 -28.133 -13.726 -30.729 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -29.464 -14.297 -29.742 1.00 0.00 H new ATOM 10 N THR A 422 -27.491 -16.417 -31.323 1.00 0.00 N ATOM 11 CA THR A 422 -26.708 -17.633 -31.177 1.00 0.00 C ATOM 12 C THR A 422 -26.187 -18.071 -32.541 1.00 0.00 C ATOM 13 O THR A 422 -26.845 -17.840 -33.563 1.00 0.00 O ATOM 14 CB THR A 422 -27.523 -18.780 -30.523 1.00 0.00 C ATOM 15 OG1 THR A 422 -26.673 -19.897 -30.237 1.00 0.00 O ATOM 16 CG2 THR A 422 -28.672 -19.232 -31.417 1.00 0.00 C ATOM 0 H THR A 422 -27.557 -16.076 -32.282 1.00 0.00 H new ATOM 0 HA THR A 422 -25.872 -17.413 -30.513 1.00 0.00 H new ATOM 0 HB THR A 422 -27.942 -18.393 -29.594 1.00 0.00 H new ATOM 0 HG1 THR A 422 -27.200 -20.612 -29.823 1.00 0.00 H new ATOM 0 HG21 THR A 422 -29.220 -20.036 -30.926 1.00 0.00 H new ATOM 0 HG22 THR A 422 -29.344 -18.393 -31.598 1.00 0.00 H new ATOM 0 HG23 THR A 422 -28.275 -19.591 -32.367 1.00 0.00 H new ATOM 24 N LYS A 423 -24.971 -18.610 -32.558 1.00 0.00 N ATOM 25 CA LYS A 423 -24.313 -19.027 -33.791 1.00 0.00 C ATOM 26 C LYS A 423 -24.091 -17.823 -34.705 1.00 0.00 C ATOM 27 O LYS A 423 -24.234 -17.912 -35.927 1.00 0.00 O ATOM 28 CB LYS A 423 -25.137 -20.103 -34.505 1.00 0.00 C ATOM 29 CG LYS A 423 -25.395 -21.338 -33.658 1.00 0.00 C ATOM 30 CD LYS A 423 -26.354 -22.298 -34.343 1.00 0.00 C ATOM 31 CE LYS A 423 -27.737 -21.684 -34.516 1.00 0.00 C ATOM 32 NZ LYS A 423 -28.664 -22.603 -35.225 1.00 0.00 N ATOM 0 H LYS A 423 -24.415 -18.770 -31.718 1.00 0.00 H new ATOM 0 HA LYS A 423 -23.342 -19.454 -33.539 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -26.093 -19.675 -34.808 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -24.618 -20.400 -35.416 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -24.452 -21.846 -33.459 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -25.806 -21.039 -32.694 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -25.955 -22.577 -35.318 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -26.433 -23.214 -33.757 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -28.149 -21.435 -33.538 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -27.653 -20.751 -35.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -29.595 -22.149 -35.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -28.283 -22.820 -36.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -28.764 -23.483 -34.681 1.00 0.00 H new ATOM 46 N ALA A 424 -23.756 -16.695 -34.095 1.00 0.00 N ATOM 47 CA ALA A 424 -23.516 -15.465 -34.830 1.00 0.00 C ATOM 48 C ALA A 424 -22.051 -15.351 -35.220 1.00 0.00 C ATOM 49 O ALA A 424 -21.167 -15.709 -34.440 1.00 0.00 O ATOM 50 CB ALA A 424 -23.936 -14.264 -33.999 1.00 0.00 C ATOM 0 H ALA A 424 -23.644 -16.608 -33.085 1.00 0.00 H new ATOM 0 HA ALA A 424 -24.114 -15.486 -35.741 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -23.751 -13.349 -34.562 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -24.998 -14.337 -33.765 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -23.361 -14.243 -33.073 1.00 0.00 H new ATOM 56 N SER A 425 -21.798 -14.837 -36.414 1.00 0.00 N ATOM 57 CA SER A 425 -20.438 -14.616 -36.876 1.00 0.00 C ATOM 58 C SER A 425 -19.873 -13.367 -36.210 1.00 0.00 C ATOM 59 O SER A 425 -20.111 -12.244 -36.661 1.00 0.00 O ATOM 60 CB SER A 425 -20.408 -14.467 -38.403 1.00 0.00 C ATOM 61 OG SER A 425 -19.082 -14.532 -38.918 1.00 0.00 O ATOM 0 H SER A 425 -22.520 -14.565 -37.082 1.00 0.00 H new ATOM 0 HA SER A 425 -19.825 -15.476 -36.606 1.00 0.00 H new ATOM 0 HB2 SER A 425 -21.012 -15.253 -38.856 1.00 0.00 H new ATOM 0 HB3 SER A 425 -20.860 -13.516 -38.684 1.00 0.00 H new ATOM 0 HG SER A 425 -19.105 -14.435 -39.893 1.00 0.00 H new ATOM 67 N LYS A 426 -19.190 -13.561 -35.091 1.00 0.00 N ATOM 68 CA LYS A 426 -18.648 -12.450 -34.318 1.00 0.00 C ATOM 69 C LYS A 426 -17.363 -11.917 -34.949 1.00 0.00 C ATOM 70 O LYS A 426 -16.353 -11.718 -34.268 1.00 0.00 O ATOM 71 CB LYS A 426 -18.392 -12.878 -32.871 1.00 0.00 C ATOM 72 CG LYS A 426 -19.649 -13.313 -32.125 1.00 0.00 C ATOM 73 CD LYS A 426 -20.653 -12.178 -31.986 1.00 0.00 C ATOM 74 CE LYS A 426 -20.129 -11.059 -31.093 1.00 0.00 C ATOM 75 NZ LYS A 426 -19.836 -11.536 -29.715 1.00 0.00 N ATOM 0 H LYS A 426 -18.997 -14.481 -34.696 1.00 0.00 H new ATOM 0 HA LYS A 426 -19.386 -11.647 -34.320 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -17.676 -13.700 -32.867 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -17.930 -12.050 -32.333 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -20.114 -14.145 -32.653 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -19.375 -13.677 -31.135 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -20.885 -11.776 -32.972 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -21.584 -12.566 -31.573 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -19.224 -10.639 -31.531 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -20.864 -10.255 -31.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -19.730 -10.719 -29.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -20.618 -12.134 -29.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -18.955 -12.088 -29.719 1.00 0.00 H new ATOM 89 N SER A 427 -17.421 -11.652 -36.246 1.00 0.00 N ATOM 90 CA SER A 427 -16.303 -11.074 -36.959 1.00 0.00 C ATOM 91 C SER A 427 -16.460 -9.559 -37.009 1.00 0.00 C ATOM 92 O SER A 427 -17.521 -9.044 -37.378 1.00 0.00 O ATOM 93 CB SER A 427 -16.220 -11.652 -38.376 1.00 0.00 C ATOM 94 OG SER A 427 -15.050 -11.216 -39.049 1.00 0.00 O ATOM 0 H SER A 427 -18.241 -11.832 -36.826 1.00 0.00 H new ATOM 0 HA SER A 427 -15.378 -11.319 -36.436 1.00 0.00 H new ATOM 0 HB2 SER A 427 -16.228 -12.741 -38.327 1.00 0.00 H new ATOM 0 HB3 SER A 427 -17.101 -11.352 -38.944 1.00 0.00 H new ATOM 0 HG SER A 427 -15.027 -11.604 -39.949 1.00 0.00 H new ATOM 100 N GLY A 428 -15.436 -8.856 -36.564 1.00 0.00 N ATOM 101 CA GLY A 428 -15.482 -7.413 -36.525 1.00 0.00 C ATOM 102 C GLY A 428 -14.489 -6.854 -35.538 1.00 0.00 C ATOM 103 O GLY A 428 -13.667 -6.008 -35.886 1.00 0.00 O ATOM 0 H GLY A 428 -14.564 -9.263 -36.225 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -15.273 -7.015 -37.518 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -16.487 -7.087 -36.256 1.00 0.00 H new ATOM 107 N VAL A 429 -14.527 -7.365 -34.317 1.00 0.00 N ATOM 108 CA VAL A 429 -13.608 -6.931 -33.277 1.00 0.00 C ATOM 109 C VAL A 429 -13.588 -7.925 -32.111 1.00 0.00 C ATOM 110 O VAL A 429 -14.631 -8.290 -31.565 1.00 0.00 O ATOM 111 CB VAL A 429 -13.970 -5.512 -32.763 1.00 0.00 C ATOM 112 CG1 VAL A 429 -15.400 -5.461 -32.243 1.00 0.00 C ATOM 113 CG2 VAL A 429 -12.993 -5.053 -31.689 1.00 0.00 C ATOM 0 H VAL A 429 -15.188 -8.084 -34.022 1.00 0.00 H new ATOM 0 HA VAL A 429 -12.612 -6.893 -33.718 1.00 0.00 H new ATOM 0 HB VAL A 429 -13.894 -4.828 -33.608 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -15.623 -4.454 -31.890 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -16.089 -5.725 -33.046 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -15.513 -6.167 -31.420 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -13.270 -4.056 -31.347 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -13.024 -5.747 -30.849 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -11.984 -5.028 -32.102 1.00 0.00 H new ATOM 123 N PRO A 430 -12.397 -8.412 -31.743 1.00 0.00 N ATOM 124 CA PRO A 430 -12.236 -9.344 -30.629 1.00 0.00 C ATOM 125 C PRO A 430 -12.557 -8.666 -29.305 1.00 0.00 C ATOM 126 O PRO A 430 -12.061 -7.572 -29.024 1.00 0.00 O ATOM 127 CB PRO A 430 -10.751 -9.735 -30.680 1.00 0.00 C ATOM 128 CG PRO A 430 -10.260 -9.265 -32.010 1.00 0.00 C ATOM 129 CD PRO A 430 -11.110 -8.082 -32.367 1.00 0.00 C ATOM 0 HA PRO A 430 -12.904 -10.202 -30.706 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -10.194 -9.267 -29.868 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -10.625 -10.812 -30.573 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -9.207 -8.989 -31.962 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -10.350 -10.051 -32.760 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -10.696 -7.153 -31.975 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -11.202 -7.960 -33.446 1.00 0.00 H new ATOM 137 N VAL A 431 -13.379 -9.306 -28.492 1.00 0.00 N ATOM 138 CA VAL A 431 -13.746 -8.759 -27.195 1.00 0.00 C ATOM 139 C VAL A 431 -12.681 -9.127 -26.160 1.00 0.00 C ATOM 140 O VAL A 431 -12.985 -9.622 -25.075 1.00 0.00 O ATOM 141 CB VAL A 431 -15.136 -9.263 -26.736 1.00 0.00 C ATOM 142 CG1 VAL A 431 -15.670 -8.416 -25.590 1.00 0.00 C ATOM 143 CG2 VAL A 431 -16.121 -9.268 -27.896 1.00 0.00 C ATOM 0 H VAL A 431 -13.806 -10.207 -28.706 1.00 0.00 H new ATOM 0 HA VAL A 431 -13.804 -7.675 -27.289 1.00 0.00 H new ATOM 0 HB VAL A 431 -15.019 -10.287 -26.380 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -16.647 -8.790 -25.286 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -14.982 -8.470 -24.746 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -15.764 -7.380 -25.916 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -17.090 -9.626 -27.549 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -16.227 -8.256 -28.288 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -15.752 -9.925 -28.683 1.00 0.00 H new ATOM 153 N THR A 432 -11.426 -8.941 -26.535 1.00 0.00 N ATOM 154 CA THR A 432 -10.311 -9.278 -25.676 1.00 0.00 C ATOM 155 C THR A 432 -9.972 -8.118 -24.748 1.00 0.00 C ATOM 156 O THR A 432 -9.832 -6.977 -25.191 1.00 0.00 O ATOM 157 CB THR A 432 -9.077 -9.669 -26.511 1.00 0.00 C ATOM 158 OG1 THR A 432 -8.965 -8.804 -27.651 1.00 0.00 O ATOM 159 CG2 THR A 432 -9.174 -11.116 -26.972 1.00 0.00 C ATOM 0 H THR A 432 -11.156 -8.554 -27.439 1.00 0.00 H new ATOM 0 HA THR A 432 -10.604 -10.134 -25.067 1.00 0.00 H new ATOM 0 HB THR A 432 -8.191 -9.563 -25.886 1.00 0.00 H new ATOM 0 HG1 THR A 432 -8.178 -9.056 -28.177 1.00 0.00 H new ATOM 0 HG21 THR A 432 -8.292 -11.370 -27.560 1.00 0.00 H new ATOM 0 HG22 THR A 432 -9.232 -11.772 -26.103 1.00 0.00 H new ATOM 0 HG23 THR A 432 -10.067 -11.244 -27.584 1.00 0.00 H new ATOM 167 N GLN A 433 -9.884 -8.403 -23.459 1.00 0.00 N ATOM 168 CA GLN A 433 -9.564 -7.381 -22.471 1.00 0.00 C ATOM 169 C GLN A 433 -8.076 -7.412 -22.137 1.00 0.00 C ATOM 170 O GLN A 433 -7.514 -8.475 -21.864 1.00 0.00 O ATOM 171 CB GLN A 433 -10.407 -7.569 -21.205 1.00 0.00 C ATOM 172 CG GLN A 433 -10.338 -8.971 -20.618 1.00 0.00 C ATOM 173 CD GLN A 433 -11.095 -9.093 -19.310 1.00 0.00 C ATOM 174 OE1 GLN A 433 -10.792 -8.402 -18.337 1.00 0.00 O ATOM 175 NE2 GLN A 433 -12.078 -9.975 -19.273 1.00 0.00 N ATOM 0 H GLN A 433 -10.030 -9.335 -23.070 1.00 0.00 H new ATOM 0 HA GLN A 433 -9.802 -6.405 -22.895 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -10.077 -6.854 -20.451 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -11.446 -7.333 -21.434 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -10.745 -9.682 -21.337 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -9.295 -9.242 -20.457 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -12.298 -10.528 -20.101 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -12.617 -10.102 -18.416 1.00 0.00 H new ATOM 184 N THR A 434 -7.439 -6.250 -22.175 1.00 0.00 N ATOM 185 CA THR A 434 -6.018 -6.151 -21.882 1.00 0.00 C ATOM 186 C THR A 434 -5.774 -6.188 -20.375 1.00 0.00 C ATOM 187 O THR A 434 -4.831 -6.828 -19.907 1.00 0.00 O ATOM 188 CB THR A 434 -5.385 -4.874 -22.498 1.00 0.00 C ATOM 189 OG1 THR A 434 -3.985 -4.809 -22.193 1.00 0.00 O ATOM 190 CG2 THR A 434 -6.066 -3.609 -21.997 1.00 0.00 C ATOM 0 H THR A 434 -7.885 -5.362 -22.406 1.00 0.00 H new ATOM 0 HA THR A 434 -5.534 -7.013 -22.341 1.00 0.00 H new ATOM 0 HB THR A 434 -5.524 -4.936 -23.577 1.00 0.00 H new ATOM 0 HG1 THR A 434 -3.601 -3.999 -22.590 1.00 0.00 H new ATOM 0 HG21 THR A 434 -5.594 -2.738 -22.451 1.00 0.00 H new ATOM 0 HG22 THR A 434 -7.122 -3.632 -22.268 1.00 0.00 H new ATOM 0 HG23 THR A 434 -5.971 -3.549 -20.913 1.00 0.00 H new ATOM 198 N GLN A 435 -6.644 -5.517 -19.624 1.00 0.00 N ATOM 199 CA GLN A 435 -6.529 -5.453 -18.174 1.00 0.00 C ATOM 200 C GLN A 435 -7.770 -4.794 -17.590 1.00 0.00 C ATOM 201 O GLN A 435 -8.354 -3.902 -18.205 1.00 0.00 O ATOM 202 CB GLN A 435 -5.273 -4.671 -17.764 1.00 0.00 C ATOM 203 CG GLN A 435 -5.003 -4.676 -16.267 1.00 0.00 C ATOM 204 CD GLN A 435 -3.728 -3.940 -15.904 1.00 0.00 C ATOM 205 OE1 GLN A 435 -3.587 -2.749 -16.178 1.00 0.00 O ATOM 206 NE2 GLN A 435 -2.794 -4.643 -15.284 1.00 0.00 N ATOM 0 H GLN A 435 -7.442 -5.007 -20.002 1.00 0.00 H new ATOM 0 HA GLN A 435 -6.443 -6.467 -17.784 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -4.410 -5.093 -18.280 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -5.373 -3.639 -18.101 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -5.844 -4.217 -15.748 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -4.936 -5.706 -15.917 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -2.952 -5.629 -15.076 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -1.916 -4.199 -15.014 1.00 0.00 H new ATOM 215 N THR A 436 -8.197 -5.281 -16.435 1.00 0.00 N ATOM 216 CA THR A 436 -9.371 -4.758 -15.753 1.00 0.00 C ATOM 217 C THR A 436 -9.112 -3.360 -15.193 1.00 0.00 C ATOM 218 O THR A 436 -8.731 -3.212 -14.027 1.00 0.00 O ATOM 219 CB THR A 436 -9.792 -5.703 -14.615 1.00 0.00 C ATOM 220 OG1 THR A 436 -8.626 -6.241 -13.969 1.00 0.00 O ATOM 221 CG2 THR A 436 -10.655 -6.837 -15.145 1.00 0.00 C ATOM 0 H THR A 436 -7.740 -6.049 -15.944 1.00 0.00 H new ATOM 0 HA THR A 436 -10.177 -4.690 -16.484 1.00 0.00 H new ATOM 0 HB THR A 436 -10.376 -5.132 -13.893 1.00 0.00 H new ATOM 0 HG1 THR A 436 -8.901 -6.841 -13.244 1.00 0.00 H new ATOM 0 HG21 THR A 436 -10.940 -7.492 -14.322 1.00 0.00 H new ATOM 0 HG22 THR A 436 -11.551 -6.426 -15.609 1.00 0.00 H new ATOM 0 HG23 THR A 436 -10.093 -7.407 -15.884 1.00 0.00 H new ATOM 229 N ALA A 437 -9.232 -2.354 -16.060 1.00 0.00 N ATOM 230 CA ALA A 437 -8.925 -0.972 -15.710 1.00 0.00 C ATOM 231 C ALA A 437 -7.463 -0.841 -15.295 1.00 0.00 C ATOM 232 O ALA A 437 -6.598 -1.550 -15.816 1.00 0.00 O ATOM 233 CB ALA A 437 -9.858 -0.468 -14.614 1.00 0.00 C ATOM 0 H ALA A 437 -9.545 -2.477 -17.023 1.00 0.00 H new ATOM 0 HA ALA A 437 -9.085 -0.349 -16.590 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -9.609 0.565 -14.371 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -10.890 -0.520 -14.962 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -9.743 -1.088 -13.725 1.00 0.00 H new ATOM 239 N GLY A 438 -7.190 0.014 -14.325 1.00 0.00 N ATOM 240 CA GLY A 438 -5.832 0.181 -13.859 1.00 0.00 C ATOM 241 C GLY A 438 -5.764 0.955 -12.566 1.00 0.00 C ATOM 242 O GLY A 438 -6.357 2.026 -12.447 1.00 0.00 O ATOM 0 H GLY A 438 -7.883 0.595 -13.852 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -5.375 -0.799 -13.718 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -5.249 0.698 -14.621 1.00 0.00 H new ATOM 246 N ALA A 439 -5.034 0.410 -11.605 1.00 0.00 N ATOM 247 CA ALA A 439 -4.850 1.038 -10.308 1.00 0.00 C ATOM 248 C ALA A 439 -3.818 0.261 -9.506 1.00 0.00 C ATOM 249 O ALA A 439 -3.950 -0.951 -9.323 1.00 0.00 O ATOM 250 CB ALA A 439 -6.170 1.106 -9.546 1.00 0.00 C ATOM 0 H ALA A 439 -4.551 -0.483 -11.704 1.00 0.00 H new ATOM 0 HA ALA A 439 -4.495 2.057 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -6.007 1.580 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -6.891 1.689 -10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -6.556 0.098 -9.396 1.00 0.00 H new ATOM 256 N ASP A 440 -2.812 0.961 -9.002 1.00 0.00 N ATOM 257 CA ASP A 440 -1.773 0.342 -8.185 1.00 0.00 C ATOM 258 C ASP A 440 -2.247 0.214 -6.746 1.00 0.00 C ATOM 259 O ASP A 440 -1.617 0.735 -5.823 1.00 0.00 O ATOM 260 CB ASP A 440 -0.470 1.151 -8.239 1.00 0.00 C ATOM 261 CG ASP A 440 0.229 1.064 -9.583 1.00 0.00 C ATOM 262 OD1 ASP A 440 -0.339 1.528 -10.596 1.00 0.00 O ATOM 263 OD2 ASP A 440 1.365 0.547 -9.639 1.00 0.00 O ATOM 0 H ASP A 440 -2.691 1.964 -9.144 1.00 0.00 H new ATOM 0 HA ASP A 440 -1.573 -0.651 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -0.688 2.196 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 440 0.205 0.794 -7.461 1.00 0.00 H new ATOM 268 N THR A 441 -3.402 -0.415 -6.571 1.00 0.00 N ATOM 269 CA THR A 441 -4.008 -0.562 -5.260 1.00 0.00 C ATOM 270 C THR A 441 -3.150 -1.450 -4.359 1.00 0.00 C ATOM 271 O THR A 441 -2.599 -2.462 -4.798 1.00 0.00 O ATOM 272 CB THR A 441 -5.442 -1.133 -5.370 1.00 0.00 C ATOM 273 OG1 THR A 441 -6.056 -1.199 -4.077 1.00 0.00 O ATOM 274 CG2 THR A 441 -5.444 -2.515 -6.006 1.00 0.00 C ATOM 0 H THR A 441 -3.940 -0.834 -7.330 1.00 0.00 H new ATOM 0 HA THR A 441 -4.069 0.429 -4.811 1.00 0.00 H new ATOM 0 HB THR A 441 -6.013 -0.460 -6.009 1.00 0.00 H new ATOM 0 HG1 THR A 441 -6.963 -1.560 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 441 -6.467 -2.886 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 441 -5.019 -2.455 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 441 -4.847 -3.196 -5.399 1.00 0.00 H new ATOM 282 N THR A 442 -2.968 -1.009 -3.126 1.00 0.00 N ATOM 283 CA THR A 442 -2.118 -1.709 -2.173 1.00 0.00 C ATOM 284 C THR A 442 -2.528 -1.360 -0.744 1.00 0.00 C ATOM 285 O THR A 442 -2.194 -2.076 0.205 1.00 0.00 O ATOM 286 CB THR A 442 -0.623 -1.367 -2.400 1.00 0.00 C ATOM 287 OG1 THR A 442 0.210 -2.112 -1.503 1.00 0.00 O ATOM 288 CG2 THR A 442 -0.363 0.123 -2.214 1.00 0.00 C ATOM 0 H THR A 442 -3.401 -0.162 -2.757 1.00 0.00 H new ATOM 0 HA THR A 442 -2.247 -2.780 -2.328 1.00 0.00 H new ATOM 0 HB THR A 442 -0.379 -1.639 -3.427 1.00 0.00 H new ATOM 0 HG1 THR A 442 1.149 -1.883 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 442 0.694 0.331 -2.380 1.00 0.00 H new ATOM 0 HG22 THR A 442 -0.961 0.689 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 442 -0.636 0.416 -1.200 1.00 0.00 H new ATOM 296 N ALA A 443 -3.239 -0.237 -0.601 1.00 0.00 N ATOM 297 CA ALA A 443 -3.672 0.254 0.700 1.00 0.00 C ATOM 298 C ALA A 443 -2.467 0.545 1.587 1.00 0.00 C ATOM 299 O ALA A 443 -1.370 0.807 1.089 1.00 0.00 O ATOM 300 CB ALA A 443 -4.619 -0.742 1.363 1.00 0.00 C ATOM 0 H ALA A 443 -3.527 0.351 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.217 1.187 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -4.931 -0.357 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -5.495 -0.887 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -4.108 -1.695 1.498 1.00 0.00 H new ATOM 306 N GLU A 444 -2.646 0.465 2.896 1.00 0.00 N ATOM 307 CA GLU A 444 -1.559 0.712 3.815 1.00 0.00 C ATOM 308 C GLU A 444 -0.835 -0.590 4.156 1.00 0.00 C ATOM 309 O GLU A 444 -0.314 -0.768 5.258 1.00 0.00 O ATOM 310 CB GLU A 444 -2.084 1.408 5.069 1.00 0.00 C ATOM 311 CG GLU A 444 -0.999 1.943 5.982 1.00 0.00 C ATOM 312 CD GLU A 444 -1.552 2.548 7.251 1.00 0.00 C ATOM 313 OE1 GLU A 444 -2.265 3.568 7.166 1.00 0.00 O ATOM 314 OE2 GLU A 444 -1.292 1.993 8.340 1.00 0.00 O ATOM 0 H GLU A 444 -3.534 0.231 3.340 1.00 0.00 H new ATOM 0 HA GLU A 444 -0.834 1.373 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -2.731 2.233 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -2.701 0.706 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -0.314 1.135 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -0.419 2.696 5.448 1.00 0.00 H new ATOM 321 N LYS A 445 -0.672 -1.430 3.145 1.00 0.00 N ATOM 322 CA LYS A 445 0.139 -2.627 3.276 1.00 0.00 C ATOM 323 C LYS A 445 1.597 -2.216 3.361 1.00 0.00 C ATOM 324 O LYS A 445 2.376 -2.770 4.136 1.00 0.00 O ATOM 325 CB LYS A 445 -0.102 -3.571 2.088 1.00 0.00 C ATOM 326 CG LYS A 445 0.913 -4.702 1.955 1.00 0.00 C ATOM 327 CD LYS A 445 1.013 -5.542 3.222 1.00 0.00 C ATOM 328 CE LYS A 445 2.033 -6.660 3.068 1.00 0.00 C ATOM 329 NZ LYS A 445 3.357 -6.159 2.608 1.00 0.00 N ATOM 0 H LYS A 445 -1.092 -1.303 2.224 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.136 -3.167 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -1.098 -4.004 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 445 -0.095 -2.985 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 445 0.633 -5.342 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 445 1.892 -4.283 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 445 1.293 -4.905 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 445 0.037 -5.967 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 445 2.153 -7.173 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 445 1.658 -7.395 2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 4.108 -6.782 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 3.383 -6.150 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 3.507 -5.194 2.966 1.00 0.00 H new ATOM 343 N CYS A 446 1.941 -1.202 2.589 1.00 0.00 N ATOM 344 CA CYS A 446 3.289 -0.670 2.580 1.00 0.00 C ATOM 345 C CYS A 446 3.289 0.810 2.226 1.00 0.00 C ATOM 346 O CYS A 446 4.345 1.403 2.003 1.00 0.00 O ATOM 347 CB CYS A 446 4.135 -1.446 1.576 1.00 0.00 C ATOM 348 SG CYS A 446 4.694 -3.082 2.157 1.00 0.00 S ATOM 0 H CYS A 446 1.298 -0.727 1.955 1.00 0.00 H new ATOM 0 HA CYS A 446 3.713 -0.779 3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.559 -1.578 0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.009 -0.848 1.319 1.00 0.00 H new ATOM 353 N LYS A 447 2.115 1.418 2.205 1.00 0.00 N ATOM 354 CA LYS A 447 2.008 2.820 1.843 1.00 0.00 C ATOM 355 C LYS A 447 2.530 3.723 2.959 1.00 0.00 C ATOM 356 O LYS A 447 2.123 3.596 4.113 1.00 0.00 O ATOM 357 CB LYS A 447 0.555 3.177 1.515 1.00 0.00 C ATOM 358 CG LYS A 447 0.355 4.627 1.105 1.00 0.00 C ATOM 359 CD LYS A 447 -1.089 4.909 0.724 1.00 0.00 C ATOM 360 CE LYS A 447 -1.288 6.365 0.326 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.463 6.737 -0.852 1.00 0.00 N ATOM 0 H LYS A 447 1.229 0.967 2.433 1.00 0.00 H new ATOM 0 HA LYS A 447 2.624 2.983 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.205 2.530 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.066 2.967 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.649 5.281 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.006 4.860 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.381 4.262 -0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.741 4.668 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -2.340 6.539 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.031 7.009 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.773 7.661 -1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.537 6.792 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.575 6.018 -1.595 1.00 0.00 H new ATOM 375 N GLY A 448 3.368 4.684 2.584 1.00 0.00 N ATOM 376 CA GLY A 448 3.858 5.674 3.527 1.00 0.00 C ATOM 377 C GLY A 448 4.834 5.116 4.548 1.00 0.00 C ATOM 378 O GLY A 448 4.895 5.595 5.681 1.00 0.00 O ATOM 0 H GLY A 448 3.720 4.795 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 448 4.344 6.479 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 448 3.010 6.114 4.051 1.00 0.00 H new ATOM 382 N LYS A 449 5.646 4.151 4.142 1.00 0.00 N ATOM 383 CA LYS A 449 6.667 3.616 5.025 1.00 0.00 C ATOM 384 C LYS A 449 7.953 4.416 4.907 1.00 0.00 C ATOM 385 O LYS A 449 8.587 4.751 5.907 1.00 0.00 O ATOM 386 CB LYS A 449 6.950 2.154 4.693 1.00 0.00 C ATOM 387 CG LYS A 449 5.794 1.226 4.997 1.00 0.00 C ATOM 388 CD LYS A 449 6.122 -0.206 4.623 1.00 0.00 C ATOM 389 CE LYS A 449 7.280 -0.744 5.441 1.00 0.00 C ATOM 390 NZ LYS A 449 6.925 -0.888 6.879 1.00 0.00 N ATOM 0 H LYS A 449 5.617 3.727 3.215 1.00 0.00 H new ATOM 0 HA LYS A 449 6.295 3.687 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 449 7.201 2.073 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.825 1.826 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.551 1.280 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.909 1.553 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 449 5.244 -0.833 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 449 6.369 -0.259 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 449 7.586 -1.712 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 449 8.135 -0.075 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 7.584 -1.551 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.988 0.039 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.954 -1.252 6.962 1.00 0.00 H new ATOM 404 N GLY A 450 8.387 4.623 3.675 1.00 0.00 N ATOM 405 CA GLY A 450 9.685 5.217 3.440 1.00 0.00 C ATOM 406 C GLY A 450 10.665 4.163 2.979 1.00 0.00 C ATOM 407 O GLY A 450 10.438 2.980 3.216 1.00 0.00 O ATOM 0 H GLY A 450 7.863 4.390 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.603 6.002 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.049 5.688 4.354 1.00 0.00 H new ATOM 411 N GLU A 451 11.648 4.559 2.187 1.00 0.00 N ATOM 412 CA GLU A 451 12.540 3.604 1.535 1.00 0.00 C ATOM 413 C GLU A 451 13.297 2.742 2.545 1.00 0.00 C ATOM 414 O GLU A 451 13.453 1.540 2.339 1.00 0.00 O ATOM 415 CB GLU A 451 13.522 4.336 0.626 1.00 0.00 C ATOM 416 CG GLU A 451 14.283 3.415 -0.313 1.00 0.00 C ATOM 417 CD GLU A 451 15.153 4.171 -1.294 1.00 0.00 C ATOM 418 OE1 GLU A 451 15.144 5.423 -1.270 1.00 0.00 O ATOM 419 OE2 GLU A 451 15.846 3.519 -2.103 1.00 0.00 O ATOM 0 H GLU A 451 11.852 5.536 1.978 1.00 0.00 H new ATOM 0 HA GLU A 451 11.921 2.936 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 451 12.978 5.074 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.235 4.884 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 451 14.906 2.739 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 451 13.574 2.797 -0.864 1.00 0.00 H new ATOM 426 N LYS A 452 13.776 3.350 3.626 1.00 0.00 N ATOM 427 CA LYS A 452 14.524 2.604 4.636 1.00 0.00 C ATOM 428 C LYS A 452 13.610 1.622 5.370 1.00 0.00 C ATOM 429 O LYS A 452 14.001 0.488 5.652 1.00 0.00 O ATOM 430 CB LYS A 452 15.222 3.546 5.626 1.00 0.00 C ATOM 431 CG LYS A 452 14.280 4.411 6.441 1.00 0.00 C ATOM 432 CD LYS A 452 15.040 5.314 7.395 1.00 0.00 C ATOM 433 CE LYS A 452 14.094 6.154 8.237 1.00 0.00 C ATOM 434 NZ LYS A 452 14.830 7.063 9.152 1.00 0.00 N ATOM 0 H LYS A 452 13.663 4.344 3.825 1.00 0.00 H new ATOM 0 HA LYS A 452 15.298 2.034 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.830 2.951 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.903 4.193 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 452 13.671 5.018 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 452 13.597 3.776 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.670 4.709 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 452 15.703 5.968 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 452 13.449 6.741 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 452 13.446 5.499 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 14.151 7.619 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 15.427 6.502 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 15.429 7.705 8.595 1.00 0.00 H new ATOM 448 N ASP A 453 12.381 2.049 5.644 1.00 0.00 N ATOM 449 CA ASP A 453 11.403 1.192 6.304 1.00 0.00 C ATOM 450 C ASP A 453 10.922 0.101 5.351 1.00 0.00 C ATOM 451 O ASP A 453 10.775 -1.057 5.738 1.00 0.00 O ATOM 452 CB ASP A 453 10.210 2.017 6.784 1.00 0.00 C ATOM 453 CG ASP A 453 9.248 1.219 7.644 1.00 0.00 C ATOM 454 OD1 ASP A 453 9.626 0.137 8.136 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.105 1.679 7.845 1.00 0.00 O ATOM 0 H ASP A 453 12.039 2.983 5.419 1.00 0.00 H new ATOM 0 HA ASP A 453 11.883 0.726 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 453 10.572 2.874 7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.676 2.411 5.919 1.00 0.00 H new ATOM 460 N CYS A 454 10.655 0.494 4.113 1.00 0.00 N ATOM 461 CA CYS A 454 10.186 -0.425 3.084 1.00 0.00 C ATOM 462 C CYS A 454 11.136 -1.609 2.928 1.00 0.00 C ATOM 463 O CYS A 454 12.298 -1.440 2.553 1.00 0.00 O ATOM 464 CB CYS A 454 10.066 0.313 1.746 1.00 0.00 C ATOM 465 SG CYS A 454 9.240 -0.644 0.433 1.00 0.00 S ATOM 0 H CYS A 454 10.757 1.457 3.794 1.00 0.00 H new ATOM 0 HA CYS A 454 9.210 -0.804 3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.516 1.241 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 454 11.064 0.588 1.406 1.00 0.00 H new ATOM 470 N LYS A 455 10.618 -2.809 3.145 1.00 0.00 N ATOM 471 CA LYS A 455 11.387 -4.015 2.933 1.00 0.00 C ATOM 472 C LYS A 455 11.213 -4.471 1.496 1.00 0.00 C ATOM 473 O LYS A 455 10.087 -4.606 1.024 1.00 0.00 O ATOM 474 CB LYS A 455 10.928 -5.108 3.896 1.00 0.00 C ATOM 475 CG LYS A 455 12.042 -5.660 4.762 1.00 0.00 C ATOM 476 CD LYS A 455 12.672 -4.579 5.628 1.00 0.00 C ATOM 477 CE LYS A 455 13.770 -5.142 6.515 1.00 0.00 C ATOM 478 NZ LYS A 455 14.391 -4.102 7.374 1.00 0.00 N ATOM 0 H LYS A 455 9.664 -2.968 3.469 1.00 0.00 H new ATOM 0 HA LYS A 455 12.441 -3.812 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 455 10.143 -4.708 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 455 10.486 -5.923 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 455 11.649 -6.453 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 455 12.806 -6.110 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 455 13.084 -3.796 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 455 11.905 -4.115 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 455 13.357 -5.930 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 455 14.538 -5.601 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 15.133 -4.534 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 14.809 -3.362 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 13.666 -3.681 7.989 1.00 0.00 H new ATOM 492 N SER A 456 12.317 -4.604 0.781 1.00 0.00 N ATOM 493 CA SER A 456 12.281 -4.912 -0.645 1.00 0.00 C ATOM 494 C SER A 456 11.558 -6.233 -0.951 1.00 0.00 C ATOM 495 O SER A 456 10.658 -6.252 -1.789 1.00 0.00 O ATOM 496 CB SER A 456 13.705 -4.931 -1.209 1.00 0.00 C ATOM 497 OG SER A 456 14.441 -3.801 -0.769 1.00 0.00 O ATOM 0 H SER A 456 13.257 -4.503 1.165 1.00 0.00 H new ATOM 0 HA SER A 456 11.705 -4.125 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.212 -5.844 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.668 -4.944 -2.298 1.00 0.00 H new ATOM 0 HG SER A 456 15.347 -3.836 -1.140 1.00 0.00 H new ATOM 503 N PRO A 457 11.907 -7.354 -0.282 1.00 0.00 N ATOM 504 CA PRO A 457 11.228 -8.635 -0.519 1.00 0.00 C ATOM 505 C PRO A 457 9.738 -8.559 -0.183 1.00 0.00 C ATOM 506 O PRO A 457 8.914 -9.245 -0.791 1.00 0.00 O ATOM 507 CB PRO A 457 11.944 -9.615 0.419 1.00 0.00 C ATOM 508 CG PRO A 457 12.602 -8.760 1.447 1.00 0.00 C ATOM 509 CD PRO A 457 12.955 -7.479 0.751 1.00 0.00 C ATOM 0 HA PRO A 457 11.276 -8.933 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.239 -10.309 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.676 -10.215 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 457 11.934 -8.576 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.492 -9.245 1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.946 -6.632 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.951 -7.522 0.310 1.00 0.00 H new ATOM 517 N ASP A 458 9.403 -7.719 0.788 1.00 0.00 N ATOM 518 CA ASP A 458 8.023 -7.533 1.210 1.00 0.00 C ATOM 519 C ASP A 458 7.256 -6.643 0.231 1.00 0.00 C ATOM 520 O ASP A 458 6.141 -6.979 -0.178 1.00 0.00 O ATOM 521 CB ASP A 458 7.981 -6.928 2.617 1.00 0.00 C ATOM 522 CG ASP A 458 6.575 -6.600 3.083 1.00 0.00 C ATOM 523 OD1 ASP A 458 5.710 -7.502 3.079 1.00 0.00 O ATOM 524 OD2 ASP A 458 6.339 -5.447 3.496 1.00 0.00 O ATOM 0 H ASP A 458 10.077 -7.151 1.302 1.00 0.00 H new ATOM 0 HA ASP A 458 7.540 -8.510 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.437 -7.626 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.584 -6.020 2.634 1.00 0.00 H new ATOM 529 N CYS A 459 7.861 -5.528 -0.166 1.00 0.00 N ATOM 530 CA CYS A 459 7.215 -4.590 -1.078 1.00 0.00 C ATOM 531 C CYS A 459 8.244 -3.898 -1.960 1.00 0.00 C ATOM 532 O CYS A 459 9.358 -3.607 -1.528 1.00 0.00 O ATOM 533 CB CYS A 459 6.412 -3.541 -0.300 1.00 0.00 C ATOM 534 SG CYS A 459 4.875 -4.167 0.454 1.00 0.00 S ATOM 0 H CYS A 459 8.797 -5.252 0.129 1.00 0.00 H new ATOM 0 HA CYS A 459 6.533 -5.158 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.044 -3.128 0.486 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.163 -2.721 -0.973 1.00 0.00 H new ATOM 539 N LYS A 460 7.867 -3.663 -3.209 1.00 0.00 N ATOM 540 CA LYS A 460 8.753 -3.017 -4.172 1.00 0.00 C ATOM 541 C LYS A 460 8.773 -1.512 -3.958 1.00 0.00 C ATOM 542 O LYS A 460 7.820 -0.935 -3.428 1.00 0.00 O ATOM 543 CB LYS A 460 8.304 -3.314 -5.600 1.00 0.00 C ATOM 544 CG LYS A 460 8.082 -4.786 -5.881 1.00 0.00 C ATOM 545 CD LYS A 460 7.776 -5.022 -7.349 1.00 0.00 C ATOM 546 CE LYS A 460 7.449 -6.479 -7.628 1.00 0.00 C ATOM 547 NZ LYS A 460 6.180 -6.903 -6.975 1.00 0.00 N ATOM 0 H LYS A 460 6.950 -3.910 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 460 9.756 -3.415 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.379 -2.773 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 460 9.053 -2.931 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 460 8.969 -5.352 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.258 -5.156 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 460 6.936 -4.396 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.632 -4.719 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 460 7.371 -6.633 -8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 460 8.266 -7.108 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 5.672 -7.562 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 6.394 -7.375 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 5.586 -6.068 -6.796 1.00 0.00 H new ATOM 561 N TRP A 461 9.816 -0.870 -4.448 1.00 0.00 N ATOM 562 CA TRP A 461 9.897 0.577 -4.396 1.00 0.00 C ATOM 563 C TRP A 461 9.557 1.154 -5.762 1.00 0.00 C ATOM 564 O TRP A 461 10.129 0.748 -6.773 1.00 0.00 O ATOM 565 CB TRP A 461 11.295 1.024 -3.971 1.00 0.00 C ATOM 566 CG TRP A 461 11.348 2.448 -3.515 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.048 3.466 -4.087 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.688 3.006 -2.374 1.00 0.00 C ATOM 569 NE1 TRP A 461 11.848 4.630 -3.387 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.017 4.371 -2.326 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.842 2.483 -1.393 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.531 5.217 -1.330 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.366 3.323 -0.410 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.708 4.675 -0.385 1.00 0.00 C ATOM 0 H TRP A 461 10.617 -1.326 -4.885 1.00 0.00 H new ATOM 0 HA TRP A 461 9.182 0.943 -3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.646 0.379 -3.166 1.00 0.00 H new ATOM 0 HB3 TRP A 461 11.981 0.892 -4.808 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.671 3.372 -4.964 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.251 5.538 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.566 1.439 -1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.796 6.264 -1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.716 2.927 0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.314 5.306 0.398 1.00 0.00 H new ATOM 585 N GLU A 462 8.573 2.033 -5.797 1.00 0.00 N ATOM 586 CA GLU A 462 8.103 2.611 -7.045 1.00 0.00 C ATOM 587 C GLU A 462 8.560 4.066 -7.163 1.00 0.00 C ATOM 588 O GLU A 462 7.741 4.986 -7.178 1.00 0.00 O ATOM 589 CB GLU A 462 6.576 2.514 -7.123 1.00 0.00 C ATOM 590 CG GLU A 462 6.003 2.765 -8.512 1.00 0.00 C ATOM 591 CD GLU A 462 6.359 1.678 -9.513 1.00 0.00 C ATOM 592 OE1 GLU A 462 6.978 0.671 -9.116 1.00 0.00 O ATOM 593 OE2 GLU A 462 6.008 1.824 -10.701 1.00 0.00 O ATOM 0 H GLU A 462 8.079 2.365 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 462 8.530 2.052 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 462 6.269 1.523 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 462 6.142 3.233 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 462 4.918 2.844 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 462 6.369 3.723 -8.881 1.00 0.00 H new ATOM 600 N GLY A 463 9.871 4.274 -7.141 1.00 0.00 N ATOM 601 CA GLY A 463 10.420 5.621 -7.191 1.00 0.00 C ATOM 602 C GLY A 463 10.348 6.331 -5.850 1.00 0.00 C ATOM 603 O GLY A 463 11.365 6.756 -5.306 1.00 0.00 O ATOM 0 H GLY A 463 10.569 3.532 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 463 11.459 5.574 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 463 9.877 6.203 -7.936 1.00 0.00 H new ATOM 607 N GLY A 464 9.148 6.402 -5.293 1.00 0.00 N ATOM 608 CA GLY A 464 8.957 7.008 -3.992 1.00 0.00 C ATOM 609 C GLY A 464 7.712 6.479 -3.317 1.00 0.00 C ATOM 610 O GLY A 464 7.063 7.178 -2.538 1.00 0.00 O ATOM 0 H GLY A 464 8.295 6.047 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.826 6.809 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 464 8.883 8.090 -4.100 1.00 0.00 H new ATOM 614 N THR A 465 7.397 5.227 -3.609 1.00 0.00 N ATOM 615 CA THR A 465 6.231 4.569 -3.052 1.00 0.00 C ATOM 616 C THR A 465 6.532 3.105 -2.763 1.00 0.00 C ATOM 617 O THR A 465 7.030 2.386 -3.629 1.00 0.00 O ATOM 618 CB THR A 465 5.040 4.661 -4.016 1.00 0.00 C ATOM 619 OG1 THR A 465 4.608 6.021 -4.140 1.00 0.00 O ATOM 620 CG2 THR A 465 3.883 3.790 -3.555 1.00 0.00 C ATOM 0 H THR A 465 7.944 4.640 -4.239 1.00 0.00 H new ATOM 0 HA THR A 465 5.975 5.076 -2.122 1.00 0.00 H new ATOM 0 HB THR A 465 5.370 4.297 -4.989 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.849 6.068 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.057 3.879 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.207 2.751 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 465 3.554 4.115 -2.568 1.00 0.00 H new ATOM 628 N CYS A 466 6.231 2.669 -1.553 1.00 0.00 N ATOM 629 CA CYS A 466 6.439 1.285 -1.176 1.00 0.00 C ATOM 630 C CYS A 466 5.174 0.482 -1.445 1.00 0.00 C ATOM 631 O CYS A 466 4.122 0.764 -0.872 1.00 0.00 O ATOM 632 CB CYS A 466 6.831 1.196 0.303 1.00 0.00 C ATOM 633 SG CYS A 466 7.270 -0.476 0.880 1.00 0.00 S ATOM 0 H CYS A 466 5.841 3.255 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 466 7.251 0.868 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.677 1.860 0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 466 6.003 1.567 0.907 1.00 0.00 H new ATOM 638 N LYS A 467 5.270 -0.490 -2.342 1.00 0.00 N ATOM 639 CA LYS A 467 4.127 -1.321 -2.698 1.00 0.00 C ATOM 640 C LYS A 467 4.590 -2.510 -3.536 1.00 0.00 C ATOM 641 O LYS A 467 5.409 -2.354 -4.444 1.00 0.00 O ATOM 642 CB LYS A 467 3.066 -0.500 -3.458 1.00 0.00 C ATOM 643 CG LYS A 467 3.567 0.173 -4.733 1.00 0.00 C ATOM 644 CD LYS A 467 3.202 -0.628 -5.973 1.00 0.00 C ATOM 645 CE LYS A 467 3.696 0.049 -7.242 1.00 0.00 C ATOM 646 NZ LYS A 467 3.337 -0.725 -8.465 1.00 0.00 N ATOM 0 H LYS A 467 6.130 -0.723 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 467 3.668 -1.693 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.234 -1.156 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.674 0.267 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 467 3.141 1.174 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.649 0.290 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 467 3.633 -1.627 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 467 2.120 -0.750 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 467 3.269 1.050 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 467 4.779 0.166 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 4.202 -1.096 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 2.715 -1.517 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 2.844 -0.103 -9.137 1.00 0.00 H new ATOM 660 N ASP A 468 4.100 -3.696 -3.216 1.00 0.00 N ATOM 661 CA ASP A 468 4.476 -4.889 -3.963 1.00 0.00 C ATOM 662 C ASP A 468 3.566 -5.068 -5.166 1.00 0.00 C ATOM 663 O ASP A 468 4.083 -5.363 -6.262 1.00 0.00 O ATOM 664 CB ASP A 468 4.420 -6.135 -3.082 1.00 0.00 C ATOM 665 CG ASP A 468 4.791 -7.387 -3.850 1.00 0.00 C ATOM 666 OD1 ASP A 468 5.908 -7.439 -4.404 1.00 0.00 O ATOM 667 OD2 ASP A 468 3.969 -8.326 -3.907 1.00 0.00 O ATOM 668 OXT ASP A 468 2.340 -4.898 -5.013 1.00 0.00 O ATOM 0 H ASP A 468 3.446 -3.860 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 468 5.503 -4.757 -4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 468 5.098 -6.013 -2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 468 3.416 -6.245 -2.672 1.00 0.00 H new TER 673 ASP A 468