USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=19 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 16:sc= 0.838 USER MOD Single : A 423 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0785) USER MOD Single : A 425 SER OG : rot -62:sc= 0.0688 USER MOD Single : A 426 LYS NZ :NH3+ -162:sc= -0.0474 (180deg=-0.417) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 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= -0.0905 X(o=-0.091,f=-0.091) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 441 THR OG1 : rot -4:sc= 1.05 USER MOD Single : A 442 THR OG1 : rot 170:sc= 0.058 USER MOD Single : A 445 LYS NZ :NH3+ -141:sc= 2.52 (180deg=-0.212) USER MOD Single : A 447 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0398) USER MOD Single : A 449 LYS NZ :NH3+ 170:sc= 0.894 (180deg=0.751) USER MOD Single : A 452 LYS NZ :NH3+ 163:sc= -0.0432 (180deg=-0.346) USER MOD Single : A 455 LYS NZ :NH3+ 149:sc= -1.05 (180deg=-2.38!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ -139:sc= 1.15 (180deg=-0.51) USER MOD Single : A 465 THR OG1 : rot 70:sc= 0.81 USER MOD Single : A 467 LYS NZ :NH3+ 159:sc= -0.0729 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 1.246 -26.862 10.361 1.00 0.00 N ATOM 2 CA GLY A 421 -0.046 -26.973 11.079 1.00 0.00 C ATOM 3 C GLY A 421 -1.100 -27.627 10.223 1.00 0.00 C ATOM 4 O GLY A 421 -0.779 -28.522 9.440 1.00 0.00 O ATOM 0 HA2 GLY A 421 0.093 -27.552 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -0.383 -25.981 11.378 1.00 0.00 H new ATOM 10 N THR A 422 -2.336 -27.136 10.336 1.00 0.00 N ATOM 11 CA THR A 422 -3.492 -27.615 9.560 1.00 0.00 C ATOM 12 C THR A 422 -3.701 -29.127 9.682 1.00 0.00 C ATOM 13 O THR A 422 -2.909 -29.931 9.182 1.00 0.00 O ATOM 14 CB THR A 422 -3.414 -27.213 8.067 1.00 0.00 C ATOM 15 OG1 THR A 422 -2.196 -27.671 7.464 1.00 0.00 O ATOM 16 CG2 THR A 422 -3.515 -25.707 7.913 1.00 0.00 C ATOM 0 H THR A 422 -2.570 -26.380 10.980 1.00 0.00 H new ATOM 0 HA THR A 422 -4.356 -27.118 10.002 1.00 0.00 H new ATOM 0 HB THR A 422 -4.254 -27.687 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 422 -1.780 -28.347 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 422 -3.458 -25.445 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 422 -4.465 -25.362 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 422 -2.695 -25.231 8.450 1.00 0.00 H new ATOM 24 N LYS A 423 -4.820 -29.507 10.279 1.00 0.00 N ATOM 25 CA LYS A 423 -5.173 -30.913 10.421 1.00 0.00 C ATOM 26 C LYS A 423 -5.474 -31.518 9.056 1.00 0.00 C ATOM 27 O LYS A 423 -6.075 -30.865 8.198 1.00 0.00 O ATOM 28 CB LYS A 423 -6.375 -31.089 11.357 1.00 0.00 C ATOM 29 CG LYS A 423 -6.065 -30.846 12.832 1.00 0.00 C ATOM 30 CD LYS A 423 -5.746 -29.386 13.117 1.00 0.00 C ATOM 31 CE LYS A 423 -5.495 -29.137 14.594 1.00 0.00 C ATOM 32 NZ LYS A 423 -4.300 -29.868 15.091 1.00 0.00 N ATOM 0 H LYS A 423 -5.502 -28.860 10.675 1.00 0.00 H new ATOM 0 HA LYS A 423 -4.323 -31.434 10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -7.165 -30.405 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.765 -32.100 11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.918 -31.155 13.437 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.220 -31.466 13.131 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.867 -29.088 12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.573 -28.761 12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.362 -28.068 14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -6.371 -29.444 15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.087 -29.565 16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.489 -30.891 15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -3.486 -29.660 14.478 1.00 0.00 H new ATOM 46 N ALA A 424 -4.975 -32.725 8.833 1.00 0.00 N ATOM 47 CA ALA A 424 -5.123 -33.390 7.549 1.00 0.00 C ATOM 48 C ALA A 424 -6.592 -33.616 7.214 1.00 0.00 C ATOM 49 O ALA A 424 -7.344 -34.169 8.024 1.00 0.00 O ATOM 50 CB ALA A 424 -4.371 -34.710 7.546 1.00 0.00 C ATOM 0 H ALA A 424 -4.462 -33.265 9.529 1.00 0.00 H new ATOM 0 HA ALA A 424 -4.698 -32.742 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -4.492 -35.195 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -3.313 -34.526 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -4.768 -35.357 8.328 1.00 0.00 H new ATOM 56 N SER A 425 -6.987 -33.160 6.027 1.00 0.00 N ATOM 57 CA SER A 425 -8.360 -33.279 5.551 1.00 0.00 C ATOM 58 C SER A 425 -9.332 -32.627 6.536 1.00 0.00 C ATOM 59 O SER A 425 -10.320 -33.231 6.957 1.00 0.00 O ATOM 60 CB SER A 425 -8.718 -34.753 5.314 1.00 0.00 C ATOM 61 OG SER A 425 -9.940 -34.886 4.605 1.00 0.00 O ATOM 0 H SER A 425 -6.361 -32.697 5.368 1.00 0.00 H new ATOM 0 HA SER A 425 -8.445 -32.752 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 425 -7.918 -35.237 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 425 -8.794 -35.268 6.272 1.00 0.00 H new ATOM 0 HG SER A 425 -10.669 -34.498 5.133 1.00 0.00 H new ATOM 67 N LYS A 426 -9.031 -31.390 6.912 1.00 0.00 N ATOM 68 CA LYS A 426 -9.857 -30.655 7.856 1.00 0.00 C ATOM 69 C LYS A 426 -9.721 -29.155 7.624 1.00 0.00 C ATOM 70 O LYS A 426 -8.642 -28.664 7.290 1.00 0.00 O ATOM 71 CB LYS A 426 -9.475 -31.014 9.299 1.00 0.00 C ATOM 72 CG LYS A 426 -10.314 -30.303 10.352 1.00 0.00 C ATOM 73 CD LYS A 426 -10.124 -30.909 11.735 1.00 0.00 C ATOM 74 CE LYS A 426 -10.694 -32.316 11.818 1.00 0.00 C ATOM 75 NZ LYS A 426 -12.148 -32.345 11.500 1.00 0.00 N ATOM 0 H LYS A 426 -8.218 -30.875 6.575 1.00 0.00 H new ATOM 0 HA LYS A 426 -10.898 -30.936 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -9.575 -32.091 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -8.425 -30.769 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -10.044 -29.247 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -11.367 -30.356 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -9.062 -30.932 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -10.608 -30.276 12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -10.158 -32.966 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -10.533 -32.714 12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -12.563 -33.231 11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -12.619 -31.537 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -12.279 -32.288 10.470 1.00 0.00 H new ATOM 89 N SER A 427 -10.844 -28.456 7.712 1.00 0.00 N ATOM 90 CA SER A 427 -10.895 -27.024 7.450 1.00 0.00 C ATOM 91 C SER A 427 -10.092 -26.235 8.481 1.00 0.00 C ATOM 92 O SER A 427 -10.153 -26.513 9.681 1.00 0.00 O ATOM 93 CB SER A 427 -12.349 -26.564 7.452 1.00 0.00 C ATOM 94 OG SER A 427 -13.137 -27.402 6.625 1.00 0.00 O ATOM 0 H SER A 427 -11.744 -28.864 7.966 1.00 0.00 H new ATOM 0 HA SER A 427 -10.448 -26.836 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 427 -12.739 -26.577 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.411 -25.534 7.100 1.00 0.00 H new ATOM 0 HG SER A 427 -14.067 -27.094 6.639 1.00 0.00 H new ATOM 100 N GLY A 428 -9.351 -25.246 8.003 1.00 0.00 N ATOM 101 CA GLY A 428 -8.564 -24.409 8.881 1.00 0.00 C ATOM 102 C GLY A 428 -7.912 -23.267 8.134 1.00 0.00 C ATOM 103 O GLY A 428 -8.460 -22.779 7.141 1.00 0.00 O ATOM 0 H GLY A 428 -9.282 -25.008 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -9.201 -24.010 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -7.796 -25.012 9.366 1.00 0.00 H new ATOM 107 N VAL A 429 -6.739 -22.851 8.585 1.00 0.00 N ATOM 108 CA VAL A 429 -6.017 -21.766 7.936 1.00 0.00 C ATOM 109 C VAL A 429 -4.617 -22.220 7.531 1.00 0.00 C ATOM 110 O VAL A 429 -3.738 -22.389 8.379 1.00 0.00 O ATOM 111 CB VAL A 429 -5.901 -20.524 8.852 1.00 0.00 C ATOM 112 CG1 VAL A 429 -5.291 -19.350 8.096 1.00 0.00 C ATOM 113 CG2 VAL A 429 -7.257 -20.142 9.425 1.00 0.00 C ATOM 0 H VAL A 429 -6.266 -23.247 9.397 1.00 0.00 H new ATOM 0 HA VAL A 429 -6.587 -21.490 7.049 1.00 0.00 H new ATOM 0 HB VAL A 429 -5.241 -20.779 9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -5.219 -18.488 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -4.296 -19.621 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -5.921 -19.100 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -7.148 -19.266 10.065 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -7.945 -19.913 8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -7.652 -20.972 10.010 1.00 0.00 H new ATOM 123 N PRO A 430 -4.409 -22.482 6.231 1.00 0.00 N ATOM 124 CA PRO A 430 -3.121 -22.945 5.708 1.00 0.00 C ATOM 125 C PRO A 430 -2.053 -21.857 5.772 1.00 0.00 C ATOM 126 O PRO A 430 -0.912 -22.112 6.163 1.00 0.00 O ATOM 127 CB PRO A 430 -3.426 -23.313 4.247 1.00 0.00 C ATOM 128 CG PRO A 430 -4.913 -23.339 4.139 1.00 0.00 C ATOM 129 CD PRO A 430 -5.420 -22.378 5.170 1.00 0.00 C ATOM 0 HA PRO A 430 -2.723 -23.777 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -2.996 -22.582 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -2.998 -24.282 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -5.237 -23.046 3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -5.299 -24.342 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -5.493 -21.364 4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -6.412 -22.653 5.527 1.00 0.00 H new ATOM 137 N VAL A 431 -2.435 -20.646 5.390 1.00 0.00 N ATOM 138 CA VAL A 431 -1.520 -19.511 5.396 1.00 0.00 C ATOM 139 C VAL A 431 -1.196 -19.063 6.821 1.00 0.00 C ATOM 140 O VAL A 431 -2.045 -19.114 7.710 1.00 0.00 O ATOM 141 CB VAL A 431 -2.087 -18.314 4.598 1.00 0.00 C ATOM 142 CG1 VAL A 431 -2.168 -18.650 3.119 1.00 0.00 C ATOM 143 CG2 VAL A 431 -3.456 -17.903 5.125 1.00 0.00 C ATOM 0 H VAL A 431 -3.378 -20.423 5.070 1.00 0.00 H new ATOM 0 HA VAL A 431 -0.603 -19.849 4.913 1.00 0.00 H new ATOM 0 HB VAL A 431 -1.407 -17.472 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -2.569 -17.796 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -1.172 -18.885 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -2.821 -19.511 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -3.831 -17.059 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -4.147 -18.741 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -3.371 -17.614 6.173 1.00 0.00 H new ATOM 153 N THR A 432 0.040 -18.645 7.032 1.00 0.00 N ATOM 154 CA THR A 432 0.478 -18.172 8.334 1.00 0.00 C ATOM 155 C THR A 432 -0.116 -16.797 8.636 1.00 0.00 C ATOM 156 O THR A 432 -0.563 -16.532 9.757 1.00 0.00 O ATOM 157 CB THR A 432 2.016 -18.107 8.408 1.00 0.00 C ATOM 158 OG1 THR A 432 2.566 -19.385 8.060 1.00 0.00 O ATOM 159 CG2 THR A 432 2.488 -17.716 9.800 1.00 0.00 C ATOM 0 H THR A 432 0.763 -18.624 6.313 1.00 0.00 H new ATOM 0 HA THR A 432 0.124 -18.881 9.082 1.00 0.00 H new ATOM 0 HB THR A 432 2.358 -17.347 7.706 1.00 0.00 H new ATOM 0 HG1 THR A 432 3.544 -19.344 8.105 1.00 0.00 H new ATOM 0 HG21 THR A 432 3.577 -17.679 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 432 2.088 -16.736 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 432 2.138 -18.453 10.523 1.00 0.00 H new ATOM 167 N GLN A 433 -0.161 -15.944 7.619 1.00 0.00 N ATOM 168 CA GLN A 433 -0.733 -14.613 7.762 1.00 0.00 C ATOM 169 C GLN A 433 -2.239 -14.690 8.001 1.00 0.00 C ATOM 170 O GLN A 433 -2.950 -15.424 7.316 1.00 0.00 O ATOM 171 CB GLN A 433 -0.447 -13.761 6.524 1.00 0.00 C ATOM 172 CG GLN A 433 1.029 -13.457 6.318 1.00 0.00 C ATOM 173 CD GLN A 433 1.266 -12.482 5.184 1.00 0.00 C ATOM 174 OE1 GLN A 433 0.781 -11.352 5.209 1.00 0.00 O ATOM 175 NE2 GLN A 433 2.029 -12.902 4.192 1.00 0.00 N ATOM 0 H GLN A 433 0.193 -16.152 6.685 1.00 0.00 H new ATOM 0 HA GLN A 433 -0.265 -14.143 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -0.829 -14.277 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -0.994 -12.822 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 433 1.444 -13.047 7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 433 1.563 -14.385 6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 433 2.413 -13.847 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 433 2.235 -12.281 3.409 1.00 0.00 H new ATOM 184 N THR A 434 -2.712 -13.911 8.959 1.00 0.00 N ATOM 185 CA THR A 434 -4.127 -13.854 9.279 1.00 0.00 C ATOM 186 C THR A 434 -4.865 -12.962 8.281 1.00 0.00 C ATOM 187 O THR A 434 -5.154 -11.800 8.565 1.00 0.00 O ATOM 188 CB THR A 434 -4.342 -13.335 10.713 1.00 0.00 C ATOM 189 OG1 THR A 434 -3.474 -14.039 11.613 1.00 0.00 O ATOM 190 CG2 THR A 434 -5.785 -13.524 11.156 1.00 0.00 C ATOM 0 H THR A 434 -2.129 -13.303 9.534 1.00 0.00 H new ATOM 0 HA THR A 434 -4.531 -14.864 9.213 1.00 0.00 H new ATOM 0 HB THR A 434 -4.114 -12.269 10.727 1.00 0.00 H new ATOM 0 HG1 THR A 434 -3.610 -13.707 12.525 1.00 0.00 H new ATOM 0 HG21 THR A 434 -5.906 -13.148 12.172 1.00 0.00 H new ATOM 0 HG22 THR A 434 -6.446 -12.976 10.485 1.00 0.00 H new ATOM 0 HG23 THR A 434 -6.038 -14.584 11.129 1.00 0.00 H new ATOM 198 N GLN A 435 -5.062 -13.492 7.073 1.00 0.00 N ATOM 199 CA GLN A 435 -5.689 -12.752 5.981 1.00 0.00 C ATOM 200 C GLN A 435 -4.853 -11.529 5.605 1.00 0.00 C ATOM 201 O GLN A 435 -3.638 -11.629 5.411 1.00 0.00 O ATOM 202 CB GLN A 435 -7.117 -12.327 6.349 1.00 0.00 C ATOM 203 CG GLN A 435 -8.036 -13.479 6.722 1.00 0.00 C ATOM 204 CD GLN A 435 -8.111 -14.542 5.645 1.00 0.00 C ATOM 205 OE1 GLN A 435 -8.420 -14.255 4.489 1.00 0.00 O ATOM 206 NE2 GLN A 435 -7.832 -15.780 6.019 1.00 0.00 N ATOM 0 H GLN A 435 -4.792 -14.444 6.826 1.00 0.00 H new ATOM 0 HA GLN A 435 -5.742 -13.416 5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -7.072 -11.629 7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -7.552 -11.789 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -7.685 -13.932 7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -9.037 -13.092 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -7.580 -15.976 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -7.869 -16.539 5.338 1.00 0.00 H new ATOM 215 N THR A 436 -5.503 -10.378 5.521 1.00 0.00 N ATOM 216 CA THR A 436 -4.834 -9.132 5.183 1.00 0.00 C ATOM 217 C THR A 436 -4.156 -8.514 6.404 1.00 0.00 C ATOM 218 O THR A 436 -3.321 -7.616 6.271 1.00 0.00 O ATOM 219 CB THR A 436 -5.830 -8.127 4.585 1.00 0.00 C ATOM 220 OG1 THR A 436 -7.024 -8.105 5.376 1.00 0.00 O ATOM 221 CG2 THR A 436 -6.175 -8.491 3.148 1.00 0.00 C ATOM 0 H THR A 436 -6.505 -10.282 5.685 1.00 0.00 H new ATOM 0 HA THR A 436 -4.069 -9.365 4.443 1.00 0.00 H new ATOM 0 HB THR A 436 -5.367 -7.140 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 436 -7.658 -7.462 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 436 -6.882 -7.764 2.748 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.268 -8.486 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 436 -6.623 -9.484 3.122 1.00 0.00 H new ATOM 229 N ALA A 437 -4.572 -8.963 7.592 1.00 0.00 N ATOM 230 CA ALA A 437 -4.065 -8.438 8.857 1.00 0.00 C ATOM 231 C ALA A 437 -4.426 -6.962 9.014 1.00 0.00 C ATOM 232 O ALA A 437 -5.508 -6.540 8.606 1.00 0.00 O ATOM 233 CB ALA A 437 -2.557 -8.655 8.966 1.00 0.00 C ATOM 0 H ALA A 437 -5.269 -9.700 7.701 1.00 0.00 H new ATOM 0 HA ALA A 437 -4.540 -8.985 9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -2.200 -8.257 9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -2.338 -9.722 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -2.055 -8.142 8.146 1.00 0.00 H new ATOM 239 N GLY A 438 -3.527 -6.182 9.599 1.00 0.00 N ATOM 240 CA GLY A 438 -3.784 -4.765 9.782 1.00 0.00 C ATOM 241 C GLY A 438 -3.760 -4.003 8.473 1.00 0.00 C ATOM 242 O GLY A 438 -2.856 -4.201 7.654 1.00 0.00 O ATOM 0 H GLY A 438 -2.625 -6.504 9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -4.755 -4.633 10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -3.037 -4.347 10.457 1.00 0.00 H new ATOM 246 N ALA A 439 -4.743 -3.137 8.271 1.00 0.00 N ATOM 247 CA ALA A 439 -4.827 -2.350 7.048 1.00 0.00 C ATOM 248 C ALA A 439 -5.743 -1.148 7.236 1.00 0.00 C ATOM 249 O ALA A 439 -6.888 -1.293 7.662 1.00 0.00 O ATOM 250 CB ALA A 439 -5.331 -3.211 5.898 1.00 0.00 C ATOM 0 H ALA A 439 -5.494 -2.961 8.938 1.00 0.00 H new ATOM 0 HA ALA A 439 -3.827 -1.988 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -5.389 -2.609 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -4.645 -4.043 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -6.321 -3.598 6.140 1.00 0.00 H new ATOM 256 N ASP A 440 -5.238 0.030 6.884 1.00 0.00 N ATOM 257 CA ASP A 440 -6.011 1.271 6.961 1.00 0.00 C ATOM 258 C ASP A 440 -7.065 1.291 5.865 1.00 0.00 C ATOM 259 O ASP A 440 -8.210 1.688 6.074 1.00 0.00 O ATOM 260 CB ASP A 440 -5.083 2.490 6.815 1.00 0.00 C ATOM 261 CG ASP A 440 -4.510 2.635 5.413 1.00 0.00 C ATOM 262 OD1 ASP A 440 -3.890 1.673 4.914 1.00 0.00 O ATOM 263 OD2 ASP A 440 -4.692 3.706 4.798 1.00 0.00 O ATOM 0 H ASP A 440 -4.286 0.154 6.539 1.00 0.00 H new ATOM 0 HA ASP A 440 -6.501 1.318 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -5.636 3.394 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -4.264 2.404 7.529 1.00 0.00 H new ATOM 268 N THR A 441 -6.644 0.849 4.700 1.00 0.00 N ATOM 269 CA THR A 441 -7.472 0.777 3.512 1.00 0.00 C ATOM 270 C THR A 441 -6.754 -0.104 2.501 1.00 0.00 C ATOM 271 O THR A 441 -7.330 -1.034 1.934 1.00 0.00 O ATOM 272 CB THR A 441 -7.729 2.177 2.899 1.00 0.00 C ATOM 273 OG1 THR A 441 -8.485 2.993 3.805 1.00 0.00 O ATOM 274 CG2 THR A 441 -8.476 2.075 1.577 1.00 0.00 C ATOM 0 H THR A 441 -5.691 0.520 4.547 1.00 0.00 H new ATOM 0 HA THR A 441 -8.444 0.363 3.779 1.00 0.00 H new ATOM 0 HB THR A 441 -6.757 2.635 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 441 -8.729 2.466 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 441 -8.640 3.074 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 441 -7.887 1.491 0.870 1.00 0.00 H new ATOM 0 HG23 THR A 441 -9.437 1.587 1.739 1.00 0.00 H new ATOM 282 N THR A 442 -5.447 0.097 2.419 1.00 0.00 N ATOM 283 CA THR A 442 -4.587 -0.762 1.634 1.00 0.00 C ATOM 284 C THR A 442 -4.072 -1.908 2.498 1.00 0.00 C ATOM 285 O THR A 442 -3.538 -1.675 3.584 1.00 0.00 O ATOM 286 CB THR A 442 -3.395 0.031 1.071 1.00 0.00 C ATOM 287 OG1 THR A 442 -3.490 1.404 1.474 1.00 0.00 O ATOM 288 CG2 THR A 442 -3.358 -0.057 -0.447 1.00 0.00 C ATOM 0 H THR A 442 -4.959 0.857 2.894 1.00 0.00 H new ATOM 0 HA THR A 442 -5.167 -1.162 0.802 1.00 0.00 H new ATOM 0 HB THR A 442 -2.476 -0.401 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 442 -2.655 1.868 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.507 0.511 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 442 -3.260 -1.100 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.280 0.355 -0.858 1.00 0.00 H new ATOM 296 N ALA A 443 -4.269 -3.139 2.035 1.00 0.00 N ATOM 297 CA ALA A 443 -3.828 -4.318 2.777 1.00 0.00 C ATOM 298 C ALA A 443 -2.322 -4.300 2.953 1.00 0.00 C ATOM 299 O ALA A 443 -1.796 -4.651 4.012 1.00 0.00 O ATOM 300 CB ALA A 443 -4.232 -5.590 2.058 1.00 0.00 C ATOM 0 H ALA A 443 -4.731 -3.347 1.150 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.308 -4.295 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -3.893 -6.454 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -5.317 -5.623 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -3.777 -5.608 1.068 1.00 0.00 H new ATOM 306 N GLU A 444 -1.642 -3.911 1.885 1.00 0.00 N ATOM 307 CA GLU A 444 -0.197 -3.827 1.878 1.00 0.00 C ATOM 308 C GLU A 444 0.291 -2.845 2.939 1.00 0.00 C ATOM 309 O GLU A 444 0.157 -1.626 2.801 1.00 0.00 O ATOM 310 CB GLU A 444 0.292 -3.414 0.484 1.00 0.00 C ATOM 311 CG GLU A 444 -0.360 -2.142 -0.039 1.00 0.00 C ATOM 312 CD GLU A 444 -0.254 -2.000 -1.537 1.00 0.00 C ATOM 313 OE1 GLU A 444 0.865 -1.840 -2.051 1.00 0.00 O ATOM 314 OE2 GLU A 444 -1.300 -2.065 -2.214 1.00 0.00 O ATOM 0 H GLU A 444 -2.079 -3.646 1.002 1.00 0.00 H new ATOM 0 HA GLU A 444 0.215 -4.807 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 444 1.372 -3.272 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 444 0.097 -4.227 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.412 -2.135 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 444 0.106 -1.279 0.436 1.00 0.00 H new ATOM 321 N LYS A 445 0.881 -3.393 3.988 1.00 0.00 N ATOM 322 CA LYS A 445 1.454 -2.600 5.073 1.00 0.00 C ATOM 323 C LYS A 445 2.780 -1.986 4.641 1.00 0.00 C ATOM 324 O LYS A 445 3.799 -2.108 5.321 1.00 0.00 O ATOM 325 CB LYS A 445 1.626 -3.462 6.323 1.00 0.00 C ATOM 326 CG LYS A 445 0.354 -3.572 7.149 1.00 0.00 C ATOM 327 CD LYS A 445 0.360 -4.803 8.038 1.00 0.00 C ATOM 328 CE LYS A 445 0.119 -6.069 7.229 1.00 0.00 C ATOM 329 NZ LYS A 445 -1.153 -5.997 6.458 1.00 0.00 N ATOM 0 H LYS A 445 0.978 -4.400 4.115 1.00 0.00 H new ATOM 0 HA LYS A 445 0.771 -1.786 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.948 -4.460 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 445 2.419 -3.041 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 445 0.243 -2.680 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -0.509 -3.609 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 445 1.316 -4.876 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -0.410 -4.706 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.952 -6.227 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 445 0.090 -6.929 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -1.623 -6.924 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -1.778 -5.283 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.948 -5.733 5.473 1.00 0.00 H new ATOM 343 N CYS A 446 2.752 -1.370 3.477 1.00 0.00 N ATOM 344 CA CYS A 446 3.929 -0.774 2.877 1.00 0.00 C ATOM 345 C CYS A 446 3.560 0.529 2.188 1.00 0.00 C ATOM 346 O CYS A 446 4.425 1.347 1.887 1.00 0.00 O ATOM 347 CB CYS A 446 4.533 -1.725 1.845 1.00 0.00 C ATOM 348 SG CYS A 446 4.929 -3.388 2.469 1.00 0.00 S ATOM 0 H CYS A 446 1.906 -1.268 2.916 1.00 0.00 H new ATOM 0 HA CYS A 446 4.656 -0.580 3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.837 -1.822 1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.444 -1.276 1.449 1.00 0.00 H new ATOM 353 N LYS A 447 2.287 0.642 1.820 1.00 0.00 N ATOM 354 CA LYS A 447 1.806 1.767 1.031 1.00 0.00 C ATOM 355 C LYS A 447 2.123 3.098 1.711 1.00 0.00 C ATOM 356 O LYS A 447 1.488 3.477 2.695 1.00 0.00 O ATOM 357 CB LYS A 447 0.296 1.635 0.813 1.00 0.00 C ATOM 358 CG LYS A 447 -0.238 2.444 -0.360 1.00 0.00 C ATOM 359 CD LYS A 447 0.353 1.970 -1.680 1.00 0.00 C ATOM 360 CE LYS A 447 -0.405 2.536 -2.872 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.415 4.022 -2.881 1.00 0.00 N ATOM 0 H LYS A 447 1.566 -0.039 2.059 1.00 0.00 H new ATOM 0 HA LYS A 447 2.317 1.753 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.054 0.584 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.220 1.948 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.324 2.361 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.003 3.498 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.399 2.270 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.331 0.881 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.049 2.173 -3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.431 2.168 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.853 4.361 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.960 4.370 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.561 4.376 -2.822 1.00 0.00 H new ATOM 375 N GLY A 448 3.080 3.818 1.145 1.00 0.00 N ATOM 376 CA GLY A 448 3.435 5.124 1.658 1.00 0.00 C ATOM 377 C GLY A 448 4.310 5.080 2.902 1.00 0.00 C ATOM 378 O GLY A 448 4.002 5.736 3.897 1.00 0.00 O ATOM 0 H GLY A 448 3.620 3.518 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.956 5.680 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.522 5.674 1.887 1.00 0.00 H new ATOM 382 N LYS A 449 5.452 4.407 2.818 1.00 0.00 N ATOM 383 CA LYS A 449 6.417 4.428 3.908 1.00 0.00 C ATOM 384 C LYS A 449 7.808 4.770 3.389 1.00 0.00 C ATOM 385 O LYS A 449 8.036 4.804 2.180 1.00 0.00 O ATOM 386 CB LYS A 449 6.450 3.101 4.665 1.00 0.00 C ATOM 387 CG LYS A 449 6.714 1.879 3.805 1.00 0.00 C ATOM 388 CD LYS A 449 6.993 0.660 4.670 1.00 0.00 C ATOM 389 CE LYS A 449 5.905 0.456 5.714 1.00 0.00 C ATOM 390 NZ LYS A 449 6.311 -0.515 6.763 1.00 0.00 N ATOM 0 H LYS A 449 5.730 3.845 2.013 1.00 0.00 H new ATOM 0 HA LYS A 449 6.098 5.202 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 449 7.220 3.158 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 449 5.497 2.968 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.853 1.687 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 449 7.564 2.067 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 449 7.064 -0.226 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 449 7.957 0.777 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 449 5.666 1.412 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 449 4.997 0.103 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 5.618 -0.498 7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.350 -1.471 6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 7.249 -0.257 7.131 1.00 0.00 H new ATOM 404 N GLY A 450 8.707 5.084 4.311 1.00 0.00 N ATOM 405 CA GLY A 450 10.055 5.476 3.957 1.00 0.00 C ATOM 406 C GLY A 450 10.903 4.316 3.467 1.00 0.00 C ATOM 407 O GLY A 450 10.548 3.148 3.649 1.00 0.00 O ATOM 0 H GLY A 450 8.521 5.073 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 450 10.013 6.241 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.535 5.928 4.825 1.00 0.00 H new ATOM 411 N GLU A 451 12.027 4.645 2.845 1.00 0.00 N ATOM 412 CA GLU A 451 12.943 3.647 2.314 1.00 0.00 C ATOM 413 C GLU A 451 13.602 2.849 3.441 1.00 0.00 C ATOM 414 O GLU A 451 13.773 1.635 3.329 1.00 0.00 O ATOM 415 CB GLU A 451 14.007 4.322 1.446 1.00 0.00 C ATOM 416 CG GLU A 451 14.971 3.351 0.787 1.00 0.00 C ATOM 417 CD GLU A 451 16.086 4.059 0.052 1.00 0.00 C ATOM 418 OE1 GLU A 451 15.796 4.833 -0.885 1.00 0.00 O ATOM 419 OE2 GLU A 451 17.263 3.862 0.417 1.00 0.00 O ATOM 0 H GLU A 451 12.328 5.608 2.695 1.00 0.00 H new ATOM 0 HA GLU A 451 12.372 2.951 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.512 4.908 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.574 5.020 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.398 2.695 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.424 2.717 0.089 1.00 0.00 H new ATOM 426 N LYS A 452 13.875 3.513 4.564 1.00 0.00 N ATOM 427 CA LYS A 452 14.439 2.840 5.735 1.00 0.00 C ATOM 428 C LYS A 452 13.332 2.206 6.567 1.00 0.00 C ATOM 429 O LYS A 452 13.354 2.231 7.797 1.00 0.00 O ATOM 430 CB LYS A 452 15.253 3.810 6.599 1.00 0.00 C ATOM 431 CG LYS A 452 16.534 4.306 5.941 1.00 0.00 C ATOM 432 CD LYS A 452 16.285 5.493 5.025 1.00 0.00 C ATOM 433 CE LYS A 452 15.909 6.739 5.812 1.00 0.00 C ATOM 434 NZ LYS A 452 17.001 7.178 6.723 1.00 0.00 N ATOM 0 H LYS A 452 13.716 4.513 4.688 1.00 0.00 H new ATOM 0 HA LYS A 452 15.110 2.059 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 452 14.629 4.669 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.507 3.318 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 452 17.251 4.588 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 452 16.984 3.495 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 452 17.179 5.691 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 452 15.487 5.251 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 452 15.669 7.546 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 452 15.009 6.541 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 16.833 8.161 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 17.021 6.564 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 17.913 7.116 6.227 1.00 0.00 H new ATOM 448 N ASP A 453 12.361 1.645 5.875 1.00 0.00 N ATOM 449 CA ASP A 453 11.206 1.018 6.501 1.00 0.00 C ATOM 450 C ASP A 453 10.624 0.004 5.535 1.00 0.00 C ATOM 451 O ASP A 453 10.362 -1.143 5.893 1.00 0.00 O ATOM 452 CB ASP A 453 10.161 2.084 6.858 1.00 0.00 C ATOM 453 CG ASP A 453 8.935 1.540 7.578 1.00 0.00 C ATOM 454 OD1 ASP A 453 8.862 0.322 7.845 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.030 2.341 7.886 1.00 0.00 O ATOM 0 H ASP A 453 12.348 1.609 4.856 1.00 0.00 H new ATOM 0 HA ASP A 453 11.505 0.515 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 453 10.631 2.841 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.840 2.582 5.943 1.00 0.00 H new ATOM 460 N CYS A 454 10.516 0.420 4.283 1.00 0.00 N ATOM 461 CA CYS A 454 10.049 -0.446 3.214 1.00 0.00 C ATOM 462 C CYS A 454 11.018 -1.605 2.984 1.00 0.00 C ATOM 463 O CYS A 454 12.220 -1.396 2.821 1.00 0.00 O ATOM 464 CB CYS A 454 9.902 0.366 1.928 1.00 0.00 C ATOM 465 SG CYS A 454 9.360 -0.611 0.497 1.00 0.00 S ATOM 0 H CYS A 454 10.749 1.366 3.980 1.00 0.00 H new ATOM 0 HA CYS A 454 9.083 -0.861 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.186 1.170 2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 454 10.858 0.834 1.694 1.00 0.00 H new ATOM 470 N LYS A 455 10.491 -2.823 2.954 1.00 0.00 N ATOM 471 CA LYS A 455 11.300 -4.000 2.686 1.00 0.00 C ATOM 472 C LYS A 455 11.008 -4.515 1.286 1.00 0.00 C ATOM 473 O LYS A 455 9.866 -4.848 0.973 1.00 0.00 O ATOM 474 CB LYS A 455 11.000 -5.079 3.718 1.00 0.00 C ATOM 475 CG LYS A 455 11.246 -4.625 5.145 1.00 0.00 C ATOM 476 CD LYS A 455 10.787 -5.662 6.150 1.00 0.00 C ATOM 477 CE LYS A 455 9.299 -5.538 6.466 1.00 0.00 C ATOM 478 NZ LYS A 455 8.435 -5.994 5.344 1.00 0.00 N ATOM 0 H LYS A 455 9.503 -3.019 3.113 1.00 0.00 H new ATOM 0 HA LYS A 455 12.355 -3.735 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 455 9.960 -5.391 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 455 11.617 -5.953 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 455 12.309 -4.427 5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 455 10.721 -3.687 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 455 10.992 -6.659 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 455 11.362 -5.554 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 455 9.071 -6.124 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 455 9.066 -4.499 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 7.550 -6.387 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 8.217 -5.188 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 8.933 -6.726 4.798 1.00 0.00 H new ATOM 492 N SER A 456 12.027 -4.509 0.438 1.00 0.00 N ATOM 493 CA SER A 456 11.871 -4.844 -0.978 1.00 0.00 C ATOM 494 C SER A 456 11.265 -6.236 -1.216 1.00 0.00 C ATOM 495 O SER A 456 10.360 -6.370 -2.040 1.00 0.00 O ATOM 496 CB SER A 456 13.212 -4.718 -1.706 1.00 0.00 C ATOM 497 OG SER A 456 13.056 -4.911 -3.102 1.00 0.00 O ATOM 0 H SER A 456 12.982 -4.274 0.706 1.00 0.00 H new ATOM 0 HA SER A 456 11.160 -4.125 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 456 13.640 -3.734 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.914 -5.452 -1.311 1.00 0.00 H new ATOM 0 HG SER A 456 13.927 -4.824 -3.544 1.00 0.00 H new ATOM 503 N PRO A 457 11.760 -7.310 -0.558 1.00 0.00 N ATOM 504 CA PRO A 457 11.220 -8.659 -0.770 1.00 0.00 C ATOM 505 C PRO A 457 9.725 -8.737 -0.463 1.00 0.00 C ATOM 506 O PRO A 457 8.992 -9.527 -1.059 1.00 0.00 O ATOM 507 CB PRO A 457 12.013 -9.537 0.207 1.00 0.00 C ATOM 508 CG PRO A 457 12.644 -8.589 1.169 1.00 0.00 C ATOM 509 CD PRO A 457 12.875 -7.320 0.404 1.00 0.00 C ATOM 0 HA PRO A 457 11.319 -8.972 -1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.359 -10.242 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.767 -10.125 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 457 11.996 -8.415 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.582 -8.989 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.855 -6.446 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.842 -7.321 -0.098 1.00 0.00 H new ATOM 517 N ASP A 458 9.282 -7.904 0.467 1.00 0.00 N ATOM 518 CA ASP A 458 7.883 -7.870 0.864 1.00 0.00 C ATOM 519 C ASP A 458 7.081 -6.914 -0.021 1.00 0.00 C ATOM 520 O ASP A 458 6.009 -7.265 -0.517 1.00 0.00 O ATOM 521 CB ASP A 458 7.773 -7.464 2.334 1.00 0.00 C ATOM 522 CG ASP A 458 6.359 -7.556 2.869 1.00 0.00 C ATOM 523 OD1 ASP A 458 5.681 -8.569 2.604 1.00 0.00 O ATOM 524 OD2 ASP A 458 5.944 -6.643 3.611 1.00 0.00 O ATOM 0 H ASP A 458 9.875 -7.239 0.963 1.00 0.00 H new ATOM 0 HA ASP A 458 7.462 -8.868 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.424 -8.103 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.134 -6.442 2.451 1.00 0.00 H new ATOM 529 N CYS A 459 7.627 -5.732 -0.268 1.00 0.00 N ATOM 530 CA CYS A 459 6.970 -4.744 -1.116 1.00 0.00 C ATOM 531 C CYS A 459 8.014 -4.006 -1.938 1.00 0.00 C ATOM 532 O CYS A 459 9.123 -3.775 -1.465 1.00 0.00 O ATOM 533 CB CYS A 459 6.173 -3.752 -0.268 1.00 0.00 C ATOM 534 SG CYS A 459 4.894 -4.518 0.786 1.00 0.00 S ATOM 0 H CYS A 459 8.527 -5.432 0.108 1.00 0.00 H new ATOM 0 HA CYS A 459 6.278 -5.257 -1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 459 6.864 -3.197 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 459 5.696 -3.028 -0.929 1.00 0.00 H new ATOM 539 N LYS A 460 7.701 -3.696 -3.184 1.00 0.00 N ATOM 540 CA LYS A 460 8.687 -3.083 -4.057 1.00 0.00 C ATOM 541 C LYS A 460 8.670 -1.567 -3.959 1.00 0.00 C ATOM 542 O LYS A 460 7.630 -0.943 -3.732 1.00 0.00 O ATOM 543 CB LYS A 460 8.517 -3.533 -5.509 1.00 0.00 C ATOM 544 CG LYS A 460 7.111 -3.388 -6.054 1.00 0.00 C ATOM 545 CD LYS A 460 7.111 -3.516 -7.565 1.00 0.00 C ATOM 546 CE LYS A 460 5.706 -3.671 -8.122 1.00 0.00 C ATOM 547 NZ LYS A 460 5.095 -4.972 -7.744 1.00 0.00 N ATOM 0 H LYS A 460 6.788 -3.855 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 460 9.662 -3.426 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 460 9.197 -2.956 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 460 8.818 -4.578 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.465 -4.151 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 460 6.701 -2.420 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 460 7.580 -2.635 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 460 7.714 -4.376 -7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 460 5.080 -2.857 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 460 5.736 -3.587 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 4.578 -5.362 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 5.842 -5.636 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 4.436 -4.829 -6.952 1.00 0.00 H new ATOM 561 N TRP A 461 9.845 -0.995 -4.126 1.00 0.00 N ATOM 562 CA TRP A 461 10.029 0.442 -4.076 1.00 0.00 C ATOM 563 C TRP A 461 9.972 1.007 -5.488 1.00 0.00 C ATOM 564 O TRP A 461 10.783 0.636 -6.338 1.00 0.00 O ATOM 565 CB TRP A 461 11.385 0.757 -3.438 1.00 0.00 C ATOM 566 CG TRP A 461 11.581 2.199 -3.084 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.378 3.099 -3.723 1.00 0.00 C ATOM 568 CD2 TRP A 461 11.006 2.892 -1.973 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.316 4.315 -3.093 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.483 4.213 -2.012 1.00 0.00 C ATOM 571 CE3 TRP A 461 10.123 2.527 -0.955 1.00 0.00 C ATOM 572 CZ2 TRP A 461 11.115 5.165 -1.065 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.760 3.470 -0.021 1.00 0.00 C ATOM 574 CH2 TRP A 461 10.252 4.778 -0.081 1.00 0.00 C ATOM 0 H TRP A 461 10.704 -1.516 -4.301 1.00 0.00 H new ATOM 0 HA TRP A 461 9.239 0.896 -3.478 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.497 0.155 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.175 0.453 -4.124 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.973 2.886 -4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.810 5.159 -3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.732 1.522 -0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.499 6.174 -1.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 9.082 3.195 0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.943 5.495 0.665 1.00 0.00 H new ATOM 585 N GLU A 462 9.020 1.892 -5.742 1.00 0.00 N ATOM 586 CA GLU A 462 8.861 2.485 -7.066 1.00 0.00 C ATOM 587 C GLU A 462 8.378 3.923 -6.958 1.00 0.00 C ATOM 588 O GLU A 462 7.420 4.210 -6.238 1.00 0.00 O ATOM 589 CB GLU A 462 7.877 1.668 -7.907 1.00 0.00 C ATOM 590 CG GLU A 462 8.500 0.443 -8.561 1.00 0.00 C ATOM 591 CD GLU A 462 9.488 0.810 -9.652 1.00 0.00 C ATOM 592 OE1 GLU A 462 9.058 1.373 -10.682 1.00 0.00 O ATOM 593 OE2 GLU A 462 10.694 0.543 -9.487 1.00 0.00 O ATOM 0 H GLU A 462 8.345 2.217 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 462 9.835 2.479 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 462 7.049 1.349 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.457 2.308 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 462 9.006 -0.153 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 462 7.712 -0.181 -8.983 1.00 0.00 H new ATOM 600 N GLY A 463 9.067 4.819 -7.656 1.00 0.00 N ATOM 601 CA GLY A 463 8.723 6.231 -7.621 1.00 0.00 C ATOM 602 C GLY A 463 8.778 6.799 -6.219 1.00 0.00 C ATOM 603 O GLY A 463 7.866 7.514 -5.797 1.00 0.00 O ATOM 0 H GLY A 463 9.864 4.591 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 463 9.407 6.786 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.721 6.369 -8.028 1.00 0.00 H new ATOM 607 N GLY A 464 9.816 6.426 -5.472 1.00 0.00 N ATOM 608 CA GLY A 464 9.941 6.856 -4.090 1.00 0.00 C ATOM 609 C GLY A 464 8.740 6.454 -3.258 1.00 0.00 C ATOM 610 O GLY A 464 8.276 7.217 -2.411 1.00 0.00 O ATOM 0 H GLY A 464 10.576 5.831 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.843 6.424 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 464 10.059 7.939 -4.057 1.00 0.00 H new ATOM 614 N THR A 465 8.178 5.296 -3.571 1.00 0.00 N ATOM 615 CA THR A 465 6.962 4.837 -2.931 1.00 0.00 C ATOM 616 C THR A 465 6.988 3.323 -2.736 1.00 0.00 C ATOM 617 O THR A 465 7.290 2.574 -3.666 1.00 0.00 O ATOM 618 CB THR A 465 5.739 5.217 -3.776 1.00 0.00 C ATOM 619 OG1 THR A 465 5.755 6.626 -4.060 1.00 0.00 O ATOM 620 CG2 THR A 465 4.448 4.848 -3.073 1.00 0.00 C ATOM 0 H THR A 465 8.551 4.655 -4.271 1.00 0.00 H new ATOM 0 HA THR A 465 6.895 5.319 -1.956 1.00 0.00 H new ATOM 0 HB THR A 465 5.789 4.658 -4.710 1.00 0.00 H new ATOM 0 HG1 THR A 465 6.487 6.826 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.600 5.130 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.425 3.773 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.389 5.375 -2.121 1.00 0.00 H new ATOM 628 N CYS A 466 6.681 2.883 -1.529 1.00 0.00 N ATOM 629 CA CYS A 466 6.641 1.464 -1.221 1.00 0.00 C ATOM 630 C CYS A 466 5.253 0.908 -1.509 1.00 0.00 C ATOM 631 O CYS A 466 4.252 1.532 -1.147 1.00 0.00 O ATOM 632 CB CYS A 466 6.986 1.225 0.245 1.00 0.00 C ATOM 633 SG CYS A 466 7.344 -0.515 0.635 1.00 0.00 S ATOM 0 H CYS A 466 6.455 3.491 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 466 7.375 0.956 -1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.851 1.833 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 466 6.156 1.564 0.865 1.00 0.00 H new ATOM 638 N LYS A 467 5.188 -0.246 -2.169 1.00 0.00 N ATOM 639 CA LYS A 467 3.907 -0.854 -2.503 1.00 0.00 C ATOM 640 C LYS A 467 4.094 -2.247 -3.090 1.00 0.00 C ATOM 641 O LYS A 467 5.118 -2.543 -3.706 1.00 0.00 O ATOM 642 CB LYS A 467 3.148 0.029 -3.491 1.00 0.00 C ATOM 643 CG LYS A 467 3.754 0.067 -4.880 1.00 0.00 C ATOM 644 CD LYS A 467 3.053 1.086 -5.756 1.00 0.00 C ATOM 645 CE LYS A 467 3.446 0.926 -7.213 1.00 0.00 C ATOM 646 NZ LYS A 467 2.973 -0.372 -7.768 1.00 0.00 N ATOM 0 H LYS A 467 6.003 -0.774 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 467 3.329 -0.947 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.120 -0.327 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.106 1.044 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 467 4.814 0.311 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 467 3.683 -0.920 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 467 1.974 0.975 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 467 3.303 2.092 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 467 3.027 1.746 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 467 4.530 0.989 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 2.931 -0.311 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 3.631 -1.128 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 2.026 -0.584 -7.395 1.00 0.00 H new ATOM 660 N ASP A 468 3.076 -3.076 -2.943 1.00 0.00 N ATOM 661 CA ASP A 468 3.074 -4.401 -3.545 1.00 0.00 C ATOM 662 C ASP A 468 2.595 -4.303 -4.985 1.00 0.00 C ATOM 663 O ASP A 468 1.486 -3.769 -5.206 1.00 0.00 O ATOM 664 CB ASP A 468 2.177 -5.357 -2.751 1.00 0.00 C ATOM 665 CG ASP A 468 2.118 -6.750 -3.352 1.00 0.00 C ATOM 666 OD1 ASP A 468 1.486 -6.935 -4.414 1.00 0.00 O ATOM 667 OD2 ASP A 468 2.704 -7.678 -2.757 1.00 0.00 O ATOM 668 OXT ASP A 468 3.334 -4.729 -5.890 1.00 0.00 O ATOM 0 H ASP A 468 2.235 -2.855 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 468 4.089 -4.798 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 468 2.544 -5.424 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.169 -4.945 -2.702 1.00 0.00 H new TER 673 ASP A 468