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= 0.0719 USER MOD Single : A 423 LYS NZ :NH3+ -169:sc= -0.0345 (180deg=-0.186) USER MOD Single : A 425 SER OG : rot -53:sc= 0.0685 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot -54:sc= 0.038 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 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 144:sc= 1.22 USER MOD Single : A 441 THR OG1 : rot 25:sc= 0.617 USER MOD Single : A 442 THR OG1 : rot 117:sc=0.000862 USER MOD Single : A 445 LYS NZ :NH3+ 160:sc= -0.0428 (180deg=-0.361) USER MOD Single : A 447 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.956) USER MOD Single : A 449 LYS NZ :NH3+ -109:sc= 0.199 (180deg=-0.00522) 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 USER MOD Single : A 460 LYS NZ :NH3+ -168:sc=-0.000213 (180deg=-0.12) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -12.564 -33.938 15.996 1.00 0.00 N ATOM 2 CA GLY A 421 -12.106 -34.320 14.637 1.00 0.00 C ATOM 3 C GLY A 421 -10.967 -33.446 14.165 1.00 0.00 C ATOM 4 O GLY A 421 -11.003 -32.232 14.341 1.00 0.00 O ATOM 0 HA2 GLY A 421 -11.788 -35.363 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -12.938 -34.243 13.937 1.00 0.00 H new ATOM 10 N THR A 422 -9.942 -34.055 13.593 1.00 0.00 N ATOM 11 CA THR A 422 -8.792 -33.310 13.116 1.00 0.00 C ATOM 12 C THR A 422 -9.122 -32.541 11.838 1.00 0.00 C ATOM 13 O THR A 422 -9.686 -33.101 10.896 1.00 0.00 O ATOM 14 CB THR A 422 -7.584 -34.240 12.882 1.00 0.00 C ATOM 15 OG1 THR A 422 -8.033 -35.542 12.477 1.00 0.00 O ATOM 16 CG2 THR A 422 -6.740 -34.359 14.142 1.00 0.00 C ATOM 0 H THR A 422 -9.884 -35.063 13.448 1.00 0.00 H new ATOM 0 HA THR A 422 -8.527 -32.590 13.890 1.00 0.00 H new ATOM 0 HB THR A 422 -6.971 -33.807 12.091 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.258 -36.124 12.329 1.00 0.00 H new ATOM 0 HG21 THR A 422 -5.894 -35.020 13.952 1.00 0.00 H new ATOM 0 HG22 THR A 422 -6.373 -33.373 14.429 1.00 0.00 H new ATOM 0 HG23 THR A 422 -7.347 -34.769 14.949 1.00 0.00 H new ATOM 24 N LYS A 423 -8.790 -31.249 11.844 1.00 0.00 N ATOM 25 CA LYS A 423 -9.020 -30.333 10.719 1.00 0.00 C ATOM 26 C LYS A 423 -10.502 -30.002 10.531 1.00 0.00 C ATOM 27 O LYS A 423 -10.876 -28.832 10.447 1.00 0.00 O ATOM 28 CB LYS A 423 -8.446 -30.897 9.417 1.00 0.00 C ATOM 29 CG LYS A 423 -8.564 -29.941 8.241 1.00 0.00 C ATOM 30 CD LYS A 423 -8.242 -30.625 6.923 1.00 0.00 C ATOM 31 CE LYS A 423 -8.300 -29.657 5.751 1.00 0.00 C ATOM 32 NZ LYS A 423 -9.628 -28.996 5.628 1.00 0.00 N ATOM 0 H LYS A 423 -8.345 -30.799 12.644 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.499 -29.408 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -7.396 -31.146 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -8.962 -31.826 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -9.575 -29.535 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -7.888 -29.099 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.248 -31.069 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -8.946 -31.440 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -7.528 -28.897 5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -8.077 -30.193 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -9.683 -28.494 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -10.379 -29.714 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -9.751 -28.317 6.406 1.00 0.00 H new ATOM 46 N ALA A 424 -11.332 -31.026 10.405 1.00 0.00 N ATOM 47 CA ALA A 424 -12.757 -30.833 10.179 1.00 0.00 C ATOM 48 C ALA A 424 -13.511 -30.685 11.497 1.00 0.00 C ATOM 49 O ALA A 424 -12.902 -30.461 12.547 1.00 0.00 O ATOM 50 CB ALA A 424 -13.318 -31.995 9.369 1.00 0.00 C ATOM 0 H ALA A 424 -11.042 -32.003 10.456 1.00 0.00 H new ATOM 0 HA ALA A 424 -12.892 -29.910 9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -14.385 -31.842 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -12.807 -32.049 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -13.165 -32.926 9.914 1.00 0.00 H new ATOM 56 N SER A 425 -14.835 -30.844 11.435 1.00 0.00 N ATOM 57 CA SER A 425 -15.699 -30.760 12.611 1.00 0.00 C ATOM 58 C SER A 425 -15.575 -29.388 13.277 1.00 0.00 C ATOM 59 O SER A 425 -15.617 -29.271 14.501 1.00 0.00 O ATOM 60 CB SER A 425 -15.347 -31.881 13.598 1.00 0.00 C ATOM 61 OG SER A 425 -16.383 -32.095 14.544 1.00 0.00 O ATOM 0 H SER A 425 -15.337 -31.035 10.568 1.00 0.00 H new ATOM 0 HA SER A 425 -16.735 -30.885 12.296 1.00 0.00 H new ATOM 0 HB2 SER A 425 -15.160 -32.804 13.049 1.00 0.00 H new ATOM 0 HB3 SER A 425 -14.424 -31.629 14.120 1.00 0.00 H new ATOM 0 HG SER A 425 -16.612 -31.246 14.976 1.00 0.00 H new ATOM 67 N LYS A 426 -15.436 -28.352 12.461 1.00 0.00 N ATOM 68 CA LYS A 426 -15.308 -26.991 12.960 1.00 0.00 C ATOM 69 C LYS A 426 -16.657 -26.288 13.014 1.00 0.00 C ATOM 70 O LYS A 426 -17.486 -26.443 12.117 1.00 0.00 O ATOM 71 CB LYS A 426 -14.343 -26.186 12.088 1.00 0.00 C ATOM 72 CG LYS A 426 -12.887 -26.565 12.281 1.00 0.00 C ATOM 73 CD LYS A 426 -12.455 -26.347 13.722 1.00 0.00 C ATOM 74 CE LYS A 426 -10.986 -26.663 13.925 1.00 0.00 C ATOM 75 NZ LYS A 426 -10.598 -26.558 15.355 1.00 0.00 N ATOM 0 H LYS A 426 -15.409 -28.430 11.444 1.00 0.00 H new ATOM 0 HA LYS A 426 -14.911 -27.052 13.973 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -14.610 -26.326 11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -14.466 -25.126 12.309 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -12.740 -27.610 12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -12.261 -25.970 11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -12.647 -25.312 14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -13.056 -26.975 14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -10.776 -27.670 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -10.380 -25.978 13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -9.587 -26.780 15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -10.776 -25.591 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -11.159 -27.229 15.917 1.00 0.00 H new ATOM 89 N SER A 427 -16.850 -25.480 14.050 1.00 0.00 N ATOM 90 CA SER A 427 -18.070 -24.703 14.211 1.00 0.00 C ATOM 91 C SER A 427 -17.823 -23.583 15.219 1.00 0.00 C ATOM 92 O SER A 427 -18.644 -23.313 16.099 1.00 0.00 O ATOM 93 CB SER A 427 -19.221 -25.610 14.671 1.00 0.00 C ATOM 94 OG SER A 427 -20.487 -24.977 14.517 1.00 0.00 O ATOM 0 H SER A 427 -16.169 -25.346 14.797 1.00 0.00 H new ATOM 0 HA SER A 427 -18.352 -24.263 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 427 -19.206 -26.536 14.097 1.00 0.00 H new ATOM 0 HB3 SER A 427 -19.075 -25.881 15.717 1.00 0.00 H new ATOM 0 HG SER A 427 -20.478 -24.112 14.977 1.00 0.00 H new ATOM 100 N GLY A 428 -16.652 -22.968 15.110 1.00 0.00 N ATOM 101 CA GLY A 428 -16.270 -21.918 16.028 1.00 0.00 C ATOM 102 C GLY A 428 -14.791 -21.603 15.941 1.00 0.00 C ATOM 103 O GLY A 428 -13.987 -22.495 15.660 1.00 0.00 O ATOM 0 H GLY A 428 -15.956 -23.182 14.395 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -16.846 -21.019 15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -16.518 -22.218 17.046 1.00 0.00 H new ATOM 107 N VAL A 429 -14.442 -20.336 16.170 1.00 0.00 N ATOM 108 CA VAL A 429 -13.049 -19.875 16.123 1.00 0.00 C ATOM 109 C VAL A 429 -12.510 -19.883 14.688 1.00 0.00 C ATOM 110 O VAL A 429 -12.344 -20.939 14.072 1.00 0.00 O ATOM 111 CB VAL A 429 -12.135 -20.730 17.036 1.00 0.00 C ATOM 112 CG1 VAL A 429 -10.697 -20.249 16.970 1.00 0.00 C ATOM 113 CG2 VAL A 429 -12.638 -20.704 18.473 1.00 0.00 C ATOM 0 H VAL A 429 -15.113 -19.601 16.393 1.00 0.00 H new ATOM 0 HA VAL A 429 -13.040 -18.850 16.493 1.00 0.00 H new ATOM 0 HB VAL A 429 -12.166 -21.758 16.675 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -10.077 -20.866 17.620 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -10.335 -20.324 15.945 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -10.645 -19.211 17.298 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -11.983 -21.310 19.099 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -12.641 -19.677 18.839 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -13.650 -21.106 18.511 1.00 0.00 H new ATOM 123 N PRO A 430 -12.243 -18.691 14.130 1.00 0.00 N ATOM 124 CA PRO A 430 -11.785 -18.542 12.745 1.00 0.00 C ATOM 125 C PRO A 430 -10.282 -18.765 12.568 1.00 0.00 C ATOM 126 O PRO A 430 -9.622 -18.017 11.846 1.00 0.00 O ATOM 127 CB PRO A 430 -12.145 -17.092 12.429 1.00 0.00 C ATOM 128 CG PRO A 430 -12.030 -16.385 13.733 1.00 0.00 C ATOM 129 CD PRO A 430 -12.428 -17.383 14.790 1.00 0.00 C ATOM 0 HA PRO A 430 -12.243 -19.282 12.089 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -11.468 -16.668 11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -13.153 -17.013 12.023 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -11.012 -16.031 13.895 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -12.679 -15.510 13.760 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -11.805 -17.293 15.680 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -13.461 -17.238 15.108 1.00 0.00 H new ATOM 137 N VAL A 431 -9.751 -19.811 13.189 1.00 0.00 N ATOM 138 CA VAL A 431 -8.337 -20.143 13.038 1.00 0.00 C ATOM 139 C VAL A 431 -8.072 -20.795 11.685 1.00 0.00 C ATOM 140 O VAL A 431 -8.781 -21.719 11.280 1.00 0.00 O ATOM 141 CB VAL A 431 -7.826 -21.067 14.164 1.00 0.00 C ATOM 142 CG1 VAL A 431 -7.575 -20.271 15.432 1.00 0.00 C ATOM 143 CG2 VAL A 431 -8.808 -22.199 14.430 1.00 0.00 C ATOM 0 H VAL A 431 -10.273 -20.441 13.798 1.00 0.00 H new ATOM 0 HA VAL A 431 -7.791 -19.202 13.102 1.00 0.00 H new ATOM 0 HB VAL A 431 -6.884 -21.508 13.838 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -7.215 -20.938 16.215 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -6.826 -19.503 15.237 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -8.503 -19.799 15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -8.423 -22.835 15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -9.770 -21.783 14.730 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -8.935 -22.791 13.524 1.00 0.00 H new ATOM 153 N THR A 432 -7.074 -20.277 10.979 1.00 0.00 N ATOM 154 CA THR A 432 -6.715 -20.769 9.654 1.00 0.00 C ATOM 155 C THR A 432 -5.568 -19.941 9.069 1.00 0.00 C ATOM 156 O THR A 432 -4.756 -20.458 8.295 1.00 0.00 O ATOM 157 CB THR A 432 -7.927 -20.766 8.681 1.00 0.00 C ATOM 158 OG1 THR A 432 -7.531 -21.219 7.381 1.00 0.00 O ATOM 159 CG2 THR A 432 -8.553 -19.383 8.563 1.00 0.00 C ATOM 0 H THR A 432 -6.492 -19.506 11.307 1.00 0.00 H new ATOM 0 HA THR A 432 -6.390 -21.803 9.771 1.00 0.00 H new ATOM 0 HB THR A 432 -8.671 -21.447 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 432 -8.307 -21.212 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 432 -9.397 -19.423 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 432 -8.900 -19.056 9.543 1.00 0.00 H new ATOM 0 HG23 THR A 432 -7.811 -18.679 8.187 1.00 0.00 H new ATOM 167 N GLN A 433 -5.522 -18.653 9.444 1.00 0.00 N ATOM 168 CA GLN A 433 -4.509 -17.700 8.967 1.00 0.00 C ATOM 169 C GLN A 433 -4.768 -17.293 7.518 1.00 0.00 C ATOM 170 O GLN A 433 -5.020 -16.121 7.229 1.00 0.00 O ATOM 171 CB GLN A 433 -3.092 -18.271 9.109 1.00 0.00 C ATOM 172 CG GLN A 433 -2.663 -18.494 10.550 1.00 0.00 C ATOM 173 CD GLN A 433 -1.364 -19.268 10.654 1.00 0.00 C ATOM 174 OE1 GLN A 433 -0.343 -18.874 10.092 1.00 0.00 O ATOM 175 NE2 GLN A 433 -1.396 -20.376 11.374 1.00 0.00 N ATOM 0 H GLN A 433 -6.193 -18.241 10.092 1.00 0.00 H new ATOM 0 HA GLN A 433 -4.586 -16.812 9.594 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -3.036 -19.218 8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -2.387 -17.591 8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -2.549 -17.530 11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -3.448 -19.034 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -2.264 -20.667 11.824 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -0.553 -20.940 11.480 1.00 0.00 H new ATOM 184 N THR A 434 -4.799 -18.275 6.631 1.00 0.00 N ATOM 185 CA THR A 434 -5.096 -18.046 5.229 1.00 0.00 C ATOM 186 C THR A 434 -6.618 -17.985 5.007 1.00 0.00 C ATOM 187 O THR A 434 -7.213 -18.820 4.323 1.00 0.00 O ATOM 188 CB THR A 434 -4.426 -19.131 4.345 1.00 0.00 C ATOM 189 OG1 THR A 434 -4.679 -18.884 2.955 1.00 0.00 O ATOM 190 CG2 THR A 434 -4.894 -20.533 4.721 1.00 0.00 C ATOM 0 H THR A 434 -4.619 -19.252 6.864 1.00 0.00 H new ATOM 0 HA THR A 434 -4.681 -17.083 4.932 1.00 0.00 H new ATOM 0 HB THR A 434 -3.352 -19.075 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 434 -4.247 -19.578 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 434 -4.403 -21.265 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 434 -4.641 -20.734 5.762 1.00 0.00 H new ATOM 0 HG23 THR A 434 -5.974 -20.603 4.590 1.00 0.00 H new ATOM 198 N GLN A 435 -7.249 -17.026 5.676 1.00 0.00 N ATOM 199 CA GLN A 435 -8.699 -16.877 5.648 1.00 0.00 C ATOM 200 C GLN A 435 -9.201 -16.578 4.240 1.00 0.00 C ATOM 201 O GLN A 435 -10.136 -17.218 3.756 1.00 0.00 O ATOM 202 CB GLN A 435 -9.126 -15.758 6.596 1.00 0.00 C ATOM 203 CG GLN A 435 -8.659 -15.962 8.028 1.00 0.00 C ATOM 204 CD GLN A 435 -9.019 -14.802 8.932 1.00 0.00 C ATOM 205 OE1 GLN A 435 -8.559 -13.677 8.733 1.00 0.00 O ATOM 206 NE2 GLN A 435 -9.862 -15.060 9.916 1.00 0.00 N ATOM 0 H GLN A 435 -6.771 -16.332 6.251 1.00 0.00 H new ATOM 0 HA GLN A 435 -9.139 -17.820 5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -8.734 -14.811 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -10.213 -15.679 6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -9.102 -16.876 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -7.578 -16.102 8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -10.220 -16.006 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -10.155 -14.313 10.545 1.00 0.00 H new ATOM 215 N THR A 436 -8.588 -15.596 3.594 1.00 0.00 N ATOM 216 CA THR A 436 -8.988 -15.196 2.255 1.00 0.00 C ATOM 217 C THR A 436 -8.600 -16.252 1.223 1.00 0.00 C ATOM 218 O THR A 436 -9.445 -16.703 0.445 1.00 0.00 O ATOM 219 CB THR A 436 -8.368 -13.837 1.872 1.00 0.00 C ATOM 220 OG1 THR A 436 -6.982 -13.809 2.244 1.00 0.00 O ATOM 221 CG2 THR A 436 -9.102 -12.693 2.554 1.00 0.00 C ATOM 0 H THR A 436 -7.809 -15.061 3.978 1.00 0.00 H new ATOM 0 HA THR A 436 -10.073 -15.096 2.259 1.00 0.00 H new ATOM 0 HB THR A 436 -8.459 -13.713 0.793 1.00 0.00 H new ATOM 0 HG1 THR A 436 -6.474 -13.305 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 436 -8.645 -11.746 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 436 -10.148 -12.699 2.249 1.00 0.00 H new ATOM 0 HG23 THR A 436 -9.039 -12.814 3.635 1.00 0.00 H new ATOM 229 N ALA A 437 -7.321 -16.649 1.245 1.00 0.00 N ATOM 230 CA ALA A 437 -6.766 -17.662 0.334 1.00 0.00 C ATOM 231 C ALA A 437 -6.681 -17.151 -1.105 1.00 0.00 C ATOM 232 O ALA A 437 -5.609 -17.153 -1.708 1.00 0.00 O ATOM 233 CB ALA A 437 -7.562 -18.961 0.401 1.00 0.00 C ATOM 0 H ALA A 437 -6.636 -16.274 1.901 1.00 0.00 H new ATOM 0 HA ALA A 437 -5.749 -17.868 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -7.127 -19.690 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -7.532 -19.354 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -8.597 -18.769 0.117 1.00 0.00 H new ATOM 239 N GLY A 438 -7.793 -16.666 -1.632 1.00 0.00 N ATOM 240 CA GLY A 438 -7.804 -16.113 -2.969 1.00 0.00 C ATOM 241 C GLY A 438 -7.733 -14.599 -2.959 1.00 0.00 C ATOM 242 O GLY A 438 -8.418 -13.930 -3.737 1.00 0.00 O ATOM 0 H GLY A 438 -8.694 -16.645 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -6.961 -16.512 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -8.711 -16.430 -3.485 1.00 0.00 H new ATOM 246 N ALA A 439 -6.902 -14.064 -2.074 1.00 0.00 N ATOM 247 CA ALA A 439 -6.722 -12.624 -1.945 1.00 0.00 C ATOM 248 C ALA A 439 -5.564 -12.323 -1.007 1.00 0.00 C ATOM 249 O ALA A 439 -5.539 -12.786 0.138 1.00 0.00 O ATOM 250 CB ALA A 439 -7.996 -11.960 -1.436 1.00 0.00 C ATOM 0 H ALA A 439 -6.336 -14.614 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 439 -6.496 -12.218 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -7.836 -10.885 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -8.810 -12.150 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -8.254 -12.369 -0.459 1.00 0.00 H new ATOM 256 N ASP A 440 -4.594 -11.573 -1.509 1.00 0.00 N ATOM 257 CA ASP A 440 -3.418 -11.207 -0.729 1.00 0.00 C ATOM 258 C ASP A 440 -3.798 -10.175 0.320 1.00 0.00 C ATOM 259 O ASP A 440 -3.314 -10.209 1.450 1.00 0.00 O ATOM 260 CB ASP A 440 -2.328 -10.651 -1.646 1.00 0.00 C ATOM 261 CG ASP A 440 -0.973 -10.565 -0.973 1.00 0.00 C ATOM 262 OD1 ASP A 440 -0.793 -11.144 0.120 1.00 0.00 O ATOM 263 OD2 ASP A 440 -0.062 -9.940 -1.555 1.00 0.00 O ATOM 0 H ASP A 440 -4.598 -11.203 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 440 -3.032 -12.096 -0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -2.248 -11.283 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -2.621 -9.658 -1.988 1.00 0.00 H new ATOM 268 N THR A 441 -4.744 -9.318 -0.052 1.00 0.00 N ATOM 269 CA THR A 441 -5.308 -8.300 0.834 1.00 0.00 C ATOM 270 C THR A 441 -4.233 -7.461 1.523 1.00 0.00 C ATOM 271 O THR A 441 -4.328 -7.163 2.713 1.00 0.00 O ATOM 272 CB THR A 441 -6.269 -8.904 1.888 1.00 0.00 C ATOM 273 OG1 THR A 441 -5.673 -10.028 2.549 1.00 0.00 O ATOM 274 CG2 THR A 441 -7.575 -9.329 1.239 1.00 0.00 C ATOM 0 H THR A 441 -5.147 -9.309 -0.989 1.00 0.00 H new ATOM 0 HA THR A 441 -5.885 -7.639 0.187 1.00 0.00 H new ATOM 0 HB THR A 441 -6.471 -8.131 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 441 -4.697 -9.948 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 441 -8.237 -9.751 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 441 -8.053 -8.463 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 441 -7.374 -10.079 0.474 1.00 0.00 H new ATOM 282 N THR A 442 -3.261 -7.007 0.746 1.00 0.00 N ATOM 283 CA THR A 442 -2.243 -6.109 1.258 1.00 0.00 C ATOM 284 C THR A 442 -2.769 -4.681 1.267 1.00 0.00 C ATOM 285 O THR A 442 -2.458 -3.894 2.165 1.00 0.00 O ATOM 286 CB THR A 442 -0.961 -6.178 0.411 1.00 0.00 C ATOM 287 OG1 THR A 442 -0.583 -7.545 0.221 1.00 0.00 O ATOM 288 CG2 THR A 442 0.179 -5.423 1.079 1.00 0.00 C ATOM 0 H THR A 442 -3.158 -7.247 -0.240 1.00 0.00 H new ATOM 0 HA THR A 442 -2.001 -6.420 2.274 1.00 0.00 H new ATOM 0 HB THR A 442 -1.163 -5.712 -0.553 1.00 0.00 H new ATOM 0 HG1 THR A 442 -0.615 -7.764 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 442 1.072 -5.489 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 442 -0.101 -4.377 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 442 0.383 -5.862 2.056 1.00 0.00 H new ATOM 296 N ALA A 443 -3.572 -4.361 0.249 1.00 0.00 N ATOM 297 CA ALA A 443 -4.156 -3.035 0.100 1.00 0.00 C ATOM 298 C ALA A 443 -3.061 -1.969 0.054 1.00 0.00 C ATOM 299 O ALA A 443 -2.209 -1.989 -0.837 1.00 0.00 O ATOM 300 CB ALA A 443 -5.169 -2.769 1.211 1.00 0.00 C ATOM 0 H ALA A 443 -3.832 -5.014 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.693 -2.989 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -5.595 -1.774 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -5.964 -3.513 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -4.672 -2.830 2.179 1.00 0.00 H new ATOM 306 N GLU A 444 -3.048 -1.073 1.028 1.00 0.00 N ATOM 307 CA GLU A 444 -2.040 -0.039 1.092 1.00 0.00 C ATOM 308 C GLU A 444 -1.211 -0.169 2.359 1.00 0.00 C ATOM 309 O GLU A 444 -0.859 0.826 2.993 1.00 0.00 O ATOM 310 CB GLU A 444 -2.695 1.333 1.012 1.00 0.00 C ATOM 311 CG GLU A 444 -3.267 1.631 -0.359 1.00 0.00 C ATOM 312 CD GLU A 444 -4.163 2.848 -0.363 1.00 0.00 C ATOM 313 OE1 GLU A 444 -5.236 2.803 0.273 1.00 0.00 O ATOM 314 OE2 GLU A 444 -3.800 3.860 -0.994 1.00 0.00 O ATOM 0 H GLU A 444 -3.730 -1.045 1.786 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.368 -0.155 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -3.491 1.394 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -1.961 2.097 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -2.450 1.784 -1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -3.832 0.767 -0.708 1.00 0.00 H new ATOM 321 N LYS A 445 -0.844 -1.402 2.678 1.00 0.00 N ATOM 322 CA LYS A 445 -0.008 -1.679 3.827 1.00 0.00 C ATOM 323 C LYS A 445 1.423 -1.232 3.561 1.00 0.00 C ATOM 324 O LYS A 445 2.121 -0.769 4.466 1.00 0.00 O ATOM 325 CB LYS A 445 -0.039 -3.174 4.159 1.00 0.00 C ATOM 326 CG LYS A 445 0.776 -3.539 5.384 1.00 0.00 C ATOM 327 CD LYS A 445 0.163 -2.975 6.659 1.00 0.00 C ATOM 328 CE LYS A 445 -1.108 -3.716 7.045 1.00 0.00 C ATOM 329 NZ LYS A 445 -0.844 -5.147 7.361 1.00 0.00 N ATOM 0 H LYS A 445 -1.117 -2.230 2.149 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.396 -1.122 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -1.073 -3.482 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.335 -3.736 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 445 0.847 -4.624 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 445 1.792 -3.161 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 445 0.886 -3.043 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -0.060 -1.917 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 445 -1.562 -3.231 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -1.828 -3.652 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -1.627 -5.527 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -0.763 -5.689 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 0.043 -5.226 7.898 1.00 0.00 H new ATOM 343 N CYS A 446 1.854 -1.356 2.312 1.00 0.00 N ATOM 344 CA CYS A 446 3.201 -0.957 1.941 1.00 0.00 C ATOM 345 C CYS A 446 3.290 0.557 1.848 1.00 0.00 C ATOM 346 O CYS A 446 4.239 1.168 2.345 1.00 0.00 O ATOM 347 CB CYS A 446 3.612 -1.599 0.611 1.00 0.00 C ATOM 348 SG CYS A 446 3.623 -3.426 0.621 1.00 0.00 S ATOM 0 H CYS A 446 1.293 -1.727 1.545 1.00 0.00 H new ATOM 0 HA CYS A 446 3.889 -1.304 2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 446 2.931 -1.257 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.607 -1.244 0.343 1.00 0.00 H new ATOM 353 N LYS A 447 2.269 1.155 1.248 1.00 0.00 N ATOM 354 CA LYS A 447 2.200 2.601 1.105 1.00 0.00 C ATOM 355 C LYS A 447 2.238 3.273 2.472 1.00 0.00 C ATOM 356 O LYS A 447 1.484 2.907 3.375 1.00 0.00 O ATOM 357 CB LYS A 447 0.924 2.999 0.361 1.00 0.00 C ATOM 358 CG LYS A 447 0.804 4.492 0.120 1.00 0.00 C ATOM 359 CD LYS A 447 -0.505 4.847 -0.561 1.00 0.00 C ATOM 360 CE LYS A 447 -0.627 4.192 -1.927 1.00 0.00 C ATOM 361 NZ LYS A 447 -1.883 4.588 -2.614 1.00 0.00 N ATOM 0 H LYS A 447 1.473 0.656 0.851 1.00 0.00 H new ATOM 0 HA LYS A 447 3.063 2.933 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.895 2.481 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.059 2.661 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.875 5.021 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.638 4.829 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.338 4.534 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.576 5.929 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.228 4.471 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.599 3.108 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -2.124 3.877 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -2.654 4.651 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.752 5.513 -3.071 1.00 0.00 H new ATOM 375 N GLY A 448 3.163 4.203 2.638 1.00 0.00 N ATOM 376 CA GLY A 448 3.327 4.855 3.918 1.00 0.00 C ATOM 377 C GLY A 448 4.716 4.647 4.474 1.00 0.00 C ATOM 378 O GLY A 448 5.250 5.508 5.175 1.00 0.00 O ATOM 0 H GLY A 448 3.803 4.518 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.133 5.922 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.591 4.467 4.622 1.00 0.00 H new ATOM 382 N LYS A 449 5.307 3.502 4.157 1.00 0.00 N ATOM 383 CA LYS A 449 6.653 3.190 4.606 1.00 0.00 C ATOM 384 C LYS A 449 7.686 4.058 3.903 1.00 0.00 C ATOM 385 O LYS A 449 7.631 4.242 2.686 1.00 0.00 O ATOM 386 CB LYS A 449 6.971 1.718 4.355 1.00 0.00 C ATOM 387 CG LYS A 449 6.207 0.767 5.254 1.00 0.00 C ATOM 388 CD LYS A 449 6.551 -0.677 4.940 1.00 0.00 C ATOM 389 CE LYS A 449 5.973 -1.629 5.973 1.00 0.00 C ATOM 390 NZ LYS A 449 4.487 -1.623 5.977 1.00 0.00 N ATOM 0 H LYS A 449 4.872 2.774 3.589 1.00 0.00 H new ATOM 0 HA LYS A 449 6.698 3.395 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.747 1.479 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.040 1.557 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.440 0.981 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 449 5.136 0.924 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.169 -0.936 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 449 7.634 -0.794 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 449 6.329 -2.639 5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 449 6.338 -1.353 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 4.144 -1.158 6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 4.140 -1.105 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 4.136 -2.601 5.948 1.00 0.00 H new ATOM 404 N GLY A 450 8.673 4.505 4.664 1.00 0.00 N ATOM 405 CA GLY A 450 9.795 5.219 4.087 1.00 0.00 C ATOM 406 C GLY A 450 10.695 4.274 3.316 1.00 0.00 C ATOM 407 O GLY A 450 10.546 3.060 3.429 1.00 0.00 O ATOM 0 H GLY A 450 8.718 4.386 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.430 6.003 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.365 5.709 4.876 1.00 0.00 H new ATOM 411 N GLU A 451 11.583 4.818 2.495 1.00 0.00 N ATOM 412 CA GLU A 451 12.459 4.002 1.652 1.00 0.00 C ATOM 413 C GLU A 451 13.242 2.983 2.473 1.00 0.00 C ATOM 414 O GLU A 451 13.293 1.804 2.123 1.00 0.00 O ATOM 415 CB GLU A 451 13.425 4.900 0.880 1.00 0.00 C ATOM 416 CG GLU A 451 14.401 4.143 -0.004 1.00 0.00 C ATOM 417 CD GLU A 451 15.358 5.065 -0.727 1.00 0.00 C ATOM 418 OE1 GLU A 451 15.226 6.301 -0.584 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.253 4.565 -1.438 1.00 0.00 O ATOM 0 H GLU A 451 11.719 5.824 2.392 1.00 0.00 H new ATOM 0 HA GLU A 451 11.829 3.454 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 451 12.849 5.588 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 451 13.988 5.505 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 451 14.969 3.440 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 451 13.845 3.555 -0.735 1.00 0.00 H new ATOM 426 N LYS A 452 13.852 3.442 3.557 1.00 0.00 N ATOM 427 CA LYS A 452 14.640 2.567 4.413 1.00 0.00 C ATOM 428 C LYS A 452 13.750 1.551 5.126 1.00 0.00 C ATOM 429 O LYS A 452 14.162 0.417 5.365 1.00 0.00 O ATOM 430 CB LYS A 452 15.452 3.384 5.429 1.00 0.00 C ATOM 431 CG LYS A 452 14.611 4.260 6.348 1.00 0.00 C ATOM 432 CD LYS A 452 15.483 5.075 7.295 1.00 0.00 C ATOM 433 CE LYS A 452 16.390 6.035 6.539 1.00 0.00 C ATOM 434 NZ LYS A 452 17.267 6.815 7.453 1.00 0.00 N ATOM 0 H LYS A 452 13.816 4.414 3.864 1.00 0.00 H new ATOM 0 HA LYS A 452 15.338 2.019 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 452 16.042 2.700 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 452 16.156 4.017 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 452 13.996 4.932 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 452 13.930 3.635 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 452 14.849 5.637 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 452 16.090 4.402 7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 452 17.007 5.473 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 452 15.781 6.720 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 17.867 7.456 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 16.680 7.372 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 17.868 6.164 7.997 1.00 0.00 H new ATOM 448 N ASP A 453 12.537 1.964 5.474 1.00 0.00 N ATOM 449 CA ASP A 453 11.612 1.086 6.186 1.00 0.00 C ATOM 450 C ASP A 453 11.041 0.025 5.250 1.00 0.00 C ATOM 451 O ASP A 453 10.972 -1.154 5.604 1.00 0.00 O ATOM 452 CB ASP A 453 10.471 1.889 6.816 1.00 0.00 C ATOM 453 CG ASP A 453 9.678 1.078 7.827 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.140 -0.012 8.220 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.602 1.543 8.254 1.00 0.00 O ATOM 0 H ASP A 453 12.171 2.895 5.277 1.00 0.00 H new ATOM 0 HA ASP A 453 12.172 0.591 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 453 10.880 2.773 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.801 2.240 6.031 1.00 0.00 H new ATOM 460 N CYS A 454 10.649 0.455 4.056 1.00 0.00 N ATOM 461 CA CYS A 454 10.102 -0.441 3.042 1.00 0.00 C ATOM 462 C CYS A 454 11.078 -1.584 2.769 1.00 0.00 C ATOM 463 O CYS A 454 12.218 -1.355 2.363 1.00 0.00 O ATOM 464 CB CYS A 454 9.828 0.333 1.744 1.00 0.00 C ATOM 465 SG CYS A 454 8.924 -0.614 0.467 1.00 0.00 S ATOM 0 H CYS A 454 10.701 1.431 3.764 1.00 0.00 H new ATOM 0 HA CYS A 454 9.164 -0.856 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.256 1.229 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 454 10.779 0.664 1.327 1.00 0.00 H new ATOM 470 N LYS A 455 10.636 -2.810 3.014 1.00 0.00 N ATOM 471 CA LYS A 455 11.471 -3.976 2.780 1.00 0.00 C ATOM 472 C LYS A 455 11.250 -4.467 1.363 1.00 0.00 C ATOM 473 O LYS A 455 10.117 -4.690 0.964 1.00 0.00 O ATOM 474 CB LYS A 455 11.141 -5.084 3.784 1.00 0.00 C ATOM 475 CG LYS A 455 11.272 -4.648 5.233 1.00 0.00 C ATOM 476 CD LYS A 455 10.920 -5.769 6.194 1.00 0.00 C ATOM 477 CE LYS A 455 11.034 -5.315 7.642 1.00 0.00 C ATOM 478 NZ LYS A 455 10.770 -6.422 8.598 1.00 0.00 N ATOM 0 H LYS A 455 9.705 -3.021 3.374 1.00 0.00 H new ATOM 0 HA LYS A 455 12.518 -3.702 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 455 10.123 -5.431 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 455 11.802 -5.932 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 455 12.293 -4.315 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 455 10.619 -3.794 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 455 9.904 -6.113 5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 455 11.583 -6.618 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 455 12.032 -4.915 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 455 10.329 -4.504 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 10.858 -6.068 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 9.808 -6.788 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 11.459 -7.186 8.443 1.00 0.00 H new ATOM 492 N SER A 456 12.319 -4.560 0.588 1.00 0.00 N ATOM 493 CA SER A 456 12.216 -4.919 -0.823 1.00 0.00 C ATOM 494 C SER A 456 11.517 -6.271 -1.040 1.00 0.00 C ATOM 495 O SER A 456 10.599 -6.355 -1.858 1.00 0.00 O ATOM 496 CB SER A 456 13.602 -4.904 -1.478 1.00 0.00 C ATOM 497 OG SER A 456 13.518 -5.131 -2.875 1.00 0.00 O ATOM 0 H SER A 456 13.272 -4.392 0.911 1.00 0.00 H new ATOM 0 HA SER A 456 11.589 -4.167 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.083 -3.944 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 456 14.230 -5.669 -1.021 1.00 0.00 H new ATOM 0 HG SER A 456 14.417 -5.114 -3.264 1.00 0.00 H new ATOM 503 N PRO A 457 11.911 -7.354 -0.330 1.00 0.00 N ATOM 504 CA PRO A 457 11.260 -8.661 -0.485 1.00 0.00 C ATOM 505 C PRO A 457 9.775 -8.601 -0.128 1.00 0.00 C ATOM 506 O PRO A 457 8.957 -9.340 -0.678 1.00 0.00 O ATOM 507 CB PRO A 457 12.012 -9.569 0.495 1.00 0.00 C ATOM 508 CG PRO A 457 13.300 -8.871 0.761 1.00 0.00 C ATOM 509 CD PRO A 457 12.996 -7.406 0.669 1.00 0.00 C ATOM 0 HA PRO A 457 11.300 -9.016 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.444 -9.712 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.180 -10.557 0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 457 13.688 -9.129 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 457 14.059 -9.160 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.680 -6.998 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.866 -6.833 0.350 1.00 0.00 H new ATOM 517 N ASP A 458 9.436 -7.702 0.788 1.00 0.00 N ATOM 518 CA ASP A 458 8.058 -7.518 1.225 1.00 0.00 C ATOM 519 C ASP A 458 7.287 -6.623 0.254 1.00 0.00 C ATOM 520 O ASP A 458 6.195 -6.973 -0.200 1.00 0.00 O ATOM 521 CB ASP A 458 8.038 -6.898 2.624 1.00 0.00 C ATOM 522 CG ASP A 458 6.647 -6.782 3.220 1.00 0.00 C ATOM 523 OD1 ASP A 458 5.716 -7.472 2.750 1.00 0.00 O ATOM 524 OD2 ASP A 458 6.490 -6.023 4.200 1.00 0.00 O ATOM 0 H ASP A 458 10.105 -7.083 1.247 1.00 0.00 H new ATOM 0 HA ASP A 458 7.574 -8.494 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.659 -7.500 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.488 -5.906 2.579 1.00 0.00 H new ATOM 529 N CYS A 459 7.876 -5.483 -0.088 1.00 0.00 N ATOM 530 CA CYS A 459 7.249 -4.531 -0.992 1.00 0.00 C ATOM 531 C CYS A 459 8.299 -3.937 -1.923 1.00 0.00 C ATOM 532 O CYS A 459 9.386 -3.558 -1.489 1.00 0.00 O ATOM 533 CB CYS A 459 6.571 -3.399 -0.208 1.00 0.00 C ATOM 534 SG CYS A 459 5.510 -3.934 1.181 1.00 0.00 S ATOM 0 H CYS A 459 8.794 -5.196 0.251 1.00 0.00 H new ATOM 0 HA CYS A 459 6.493 -5.058 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.344 -2.736 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 459 5.967 -2.812 -0.900 1.00 0.00 H new ATOM 539 N LYS A 460 7.965 -3.841 -3.196 1.00 0.00 N ATOM 540 CA LYS A 460 8.866 -3.266 -4.177 1.00 0.00 C ATOM 541 C LYS A 460 8.814 -1.739 -4.121 1.00 0.00 C ATOM 542 O LYS A 460 7.754 -1.134 -4.289 1.00 0.00 O ATOM 543 CB LYS A 460 8.493 -3.762 -5.577 1.00 0.00 C ATOM 544 CG LYS A 460 9.538 -3.459 -6.639 1.00 0.00 C ATOM 545 CD LYS A 460 10.889 -4.042 -6.266 1.00 0.00 C ATOM 546 CE LYS A 460 11.881 -3.935 -7.407 1.00 0.00 C ATOM 547 NZ LYS A 460 11.546 -4.860 -8.523 1.00 0.00 N ATOM 0 H LYS A 460 7.072 -4.155 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 460 9.884 -3.582 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 460 8.331 -4.839 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.547 -3.308 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 460 9.215 -3.867 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 460 9.628 -2.380 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 460 11.281 -3.521 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 460 10.769 -5.088 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 460 11.898 -2.910 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 460 12.883 -4.158 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 12.346 -4.908 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.355 -5.809 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 10.703 -4.511 -9.022 1.00 0.00 H new ATOM 561 N TRP A 461 9.962 -1.124 -3.893 1.00 0.00 N ATOM 562 CA TRP A 461 10.055 0.328 -3.854 1.00 0.00 C ATOM 563 C TRP A 461 10.216 0.873 -5.271 1.00 0.00 C ATOM 564 O TRP A 461 11.133 0.470 -5.991 1.00 0.00 O ATOM 565 CB TRP A 461 11.246 0.755 -2.987 1.00 0.00 C ATOM 566 CG TRP A 461 11.318 2.229 -2.723 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.111 3.140 -3.360 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.599 2.955 -1.722 1.00 0.00 C ATOM 569 NE1 TRP A 461 11.904 4.392 -2.834 1.00 0.00 N ATOM 570 CE2 TRP A 461 10.981 4.303 -1.826 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.658 2.602 -0.761 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.457 5.292 -0.998 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.141 3.582 0.060 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.537 4.914 -0.066 1.00 0.00 C ATOM 0 H TRP A 461 10.845 -1.608 -3.732 1.00 0.00 H new ATOM 0 HA TRP A 461 9.141 0.733 -3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.194 0.229 -2.034 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.168 0.439 -3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.800 2.910 -4.160 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.363 5.249 -3.144 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.337 1.576 -0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.768 6.322 -1.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.416 3.314 0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.107 5.659 0.587 1.00 0.00 H new ATOM 585 N GLU A 462 9.354 1.803 -5.657 1.00 0.00 N ATOM 586 CA GLU A 462 9.436 2.410 -6.980 1.00 0.00 C ATOM 587 C GLU A 462 8.761 3.772 -6.990 1.00 0.00 C ATOM 588 O GLU A 462 7.634 3.916 -6.518 1.00 0.00 O ATOM 589 CB GLU A 462 8.776 1.517 -8.033 1.00 0.00 C ATOM 590 CG GLU A 462 9.045 1.969 -9.462 1.00 0.00 C ATOM 591 CD GLU A 462 7.918 1.625 -10.411 1.00 0.00 C ATOM 592 OE1 GLU A 462 7.515 0.446 -10.466 1.00 0.00 O ATOM 593 OE2 GLU A 462 7.427 2.536 -11.109 1.00 0.00 O ATOM 0 H GLU A 462 8.592 2.153 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 462 10.492 2.528 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 462 9.135 0.495 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.700 1.500 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 462 9.206 3.047 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 462 9.966 1.506 -9.817 1.00 0.00 H new ATOM 600 N GLY A 463 9.441 4.755 -7.567 1.00 0.00 N ATOM 601 CA GLY A 463 8.888 6.090 -7.674 1.00 0.00 C ATOM 602 C GLY A 463 8.694 6.747 -6.324 1.00 0.00 C ATOM 603 O GLY A 463 7.774 7.544 -6.140 1.00 0.00 O ATOM 0 H GLY A 463 10.374 4.649 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 463 9.550 6.706 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.930 6.043 -8.192 1.00 0.00 H new ATOM 607 N GLY A 464 9.596 6.453 -5.400 1.00 0.00 N ATOM 608 CA GLY A 464 9.533 7.047 -4.081 1.00 0.00 C ATOM 609 C GLY A 464 8.279 6.660 -3.321 1.00 0.00 C ATOM 610 O GLY A 464 7.734 7.462 -2.561 1.00 0.00 O ATOM 0 H GLY A 464 10.375 5.810 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.408 6.742 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.576 8.132 -4.174 1.00 0.00 H new ATOM 614 N THR A 465 7.848 5.417 -3.475 1.00 0.00 N ATOM 615 CA THR A 465 6.685 4.926 -2.756 1.00 0.00 C ATOM 616 C THR A 465 6.745 3.407 -2.626 1.00 0.00 C ATOM 617 O THR A 465 7.279 2.714 -3.499 1.00 0.00 O ATOM 618 CB THR A 465 5.359 5.363 -3.430 1.00 0.00 C ATOM 619 OG1 THR A 465 4.251 5.076 -2.569 1.00 0.00 O ATOM 620 CG2 THR A 465 5.152 4.670 -4.771 1.00 0.00 C ATOM 0 H THR A 465 8.286 4.732 -4.091 1.00 0.00 H new ATOM 0 HA THR A 465 6.703 5.369 -1.760 1.00 0.00 H new ATOM 0 HB THR A 465 5.421 6.437 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.418 5.357 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.212 5.003 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 465 5.975 4.920 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.121 3.591 -4.622 1.00 0.00 H new ATOM 628 N CYS A 466 6.318 2.916 -1.474 1.00 0.00 N ATOM 629 CA CYS A 466 6.383 1.500 -1.160 1.00 0.00 C ATOM 630 C CYS A 466 5.108 0.806 -1.633 1.00 0.00 C ATOM 631 O CYS A 466 3.998 1.245 -1.321 1.00 0.00 O ATOM 632 CB CYS A 466 6.573 1.332 0.354 1.00 0.00 C ATOM 633 SG CYS A 466 6.957 -0.359 0.920 1.00 0.00 S ATOM 0 H CYS A 466 5.917 3.488 -0.731 1.00 0.00 H new ATOM 0 HA CYS A 466 7.227 1.041 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.376 1.995 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.664 1.665 0.855 1.00 0.00 H new ATOM 638 N LYS A 467 5.261 -0.248 -2.421 1.00 0.00 N ATOM 639 CA LYS A 467 4.112 -0.963 -2.961 1.00 0.00 C ATOM 640 C LYS A 467 4.401 -2.456 -3.036 1.00 0.00 C ATOM 641 O LYS A 467 5.514 -2.865 -3.345 1.00 0.00 O ATOM 642 CB LYS A 467 3.746 -0.424 -4.347 1.00 0.00 C ATOM 643 CG LYS A 467 4.847 -0.591 -5.378 1.00 0.00 C ATOM 644 CD LYS A 467 4.456 0.005 -6.715 1.00 0.00 C ATOM 645 CE LYS A 467 5.549 -0.203 -7.747 1.00 0.00 C ATOM 646 NZ LYS A 467 5.237 0.470 -9.033 1.00 0.00 N ATOM 0 H LYS A 467 6.166 -0.627 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 467 3.265 -0.805 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.850 -0.934 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.498 0.634 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.758 -0.113 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 467 5.071 -1.650 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 467 3.530 -0.453 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 467 4.260 1.071 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 467 6.492 0.179 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 467 5.685 -1.270 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 5.918 0.166 -9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 4.275 0.215 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 5.299 1.501 -8.910 1.00 0.00 H new ATOM 660 N ASP A 468 3.409 -3.264 -2.700 1.00 0.00 N ATOM 661 CA ASP A 468 3.574 -4.713 -2.700 1.00 0.00 C ATOM 662 C ASP A 468 3.672 -5.241 -4.122 1.00 0.00 C ATOM 663 O ASP A 468 3.189 -4.555 -5.047 1.00 0.00 O ATOM 664 CB ASP A 468 2.421 -5.393 -1.950 1.00 0.00 C ATOM 665 CG ASP A 468 1.066 -5.119 -2.570 1.00 0.00 C ATOM 666 OD1 ASP A 468 0.718 -5.763 -3.581 1.00 0.00 O ATOM 667 OD2 ASP A 468 0.342 -4.240 -2.054 1.00 0.00 O ATOM 668 OXT ASP A 468 4.246 -6.334 -4.312 1.00 0.00 O ATOM 0 H ASP A 468 2.481 -2.944 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 468 4.503 -4.949 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 468 2.594 -6.469 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 468 2.416 -5.051 -0.915 1.00 0.00 H new TER 673 ASP A 468