USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 290 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 449 ASN : amide:sc= 1.03 K(o=0.99,f=-12!) USER MOD Set 1.2: A 452 THR OG1 : rot 180:sc= -0.0364 USER MOD Set 2.1: A 447 TYR OH : rot 35:sc= 1.3 USER MOD Set 2.2: A 459 LYS NZ :NH3+ -118:sc= 0.291 (180deg=0) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.14) USER MOD Single : A 440 THR OG1 : rot 120:sc= -0.794! USER MOD Single : A 444 LYS NZ :NH3+ 143:sc= 1.1 (180deg=0.792) USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.0669 K(o=-0.067,f=-0.71) USER MOD Single : A 455 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 456 TYR OH : rot 61:sc= 1.23 USER MOD Single : A 461 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.85) USER MOD Single : A 464 LYS NZ :NH3+ -106:sc= 0.0323 (180deg=-0.465) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 10.178 19.907 2.872 1.00 15.00 N ATOM 2 CA GLY A 428 11.185 19.048 2.206 1.00 15.00 C ATOM 3 C GLY A 428 10.697 18.539 0.866 1.00 15.00 C ATOM 4 O GLY A 428 9.494 18.526 0.602 1.00 15.00 O ATOM 0 HA2 GLY A 428 12.107 19.612 2.066 1.00 15.00 H new ATOM 0 HA3 GLY A 428 11.423 18.202 2.851 1.00 15.00 H new ATOM 10 N ALA A 429 11.629 18.110 0.026 1.00 15.00 N ATOM 11 CA ALA A 429 11.304 17.607 -1.301 1.00 15.00 C ATOM 12 C ALA A 429 11.118 16.096 -1.274 1.00 15.00 C ATOM 13 O ALA A 429 10.648 15.498 -2.244 1.00 15.00 O ATOM 14 CB ALA A 429 12.394 17.995 -2.292 1.00 15.00 C ATOM 0 H ALA A 429 12.626 18.101 0.243 1.00 15.00 H new ATOM 0 HA ALA A 429 10.365 18.058 -1.622 1.00 15.00 H new ATOM 0 HB1 ALA A 429 12.140 17.613 -3.281 1.00 15.00 H new ATOM 0 HB2 ALA A 429 12.479 19.081 -2.333 1.00 15.00 H new ATOM 0 HB3 ALA A 429 13.345 17.569 -1.972 1.00 15.00 H new ATOM 20 N THR A 430 11.493 15.485 -0.157 1.00 15.00 N ATOM 21 CA THR A 430 11.332 14.053 0.024 1.00 15.00 C ATOM 22 C THR A 430 9.846 13.675 0.023 1.00 15.00 C ATOM 23 O THR A 430 9.094 14.085 0.912 1.00 15.00 O ATOM 24 CB THR A 430 11.971 13.591 1.350 1.00 15.00 C ATOM 25 OG1 THR A 430 13.333 14.039 1.424 1.00 15.00 O ATOM 26 CG2 THR A 430 11.926 12.076 1.472 1.00 15.00 C ATOM 0 H THR A 430 11.913 15.964 0.639 1.00 15.00 H new ATOM 0 HA THR A 430 11.834 13.556 -0.806 1.00 15.00 H new ATOM 0 HB THR A 430 11.401 14.025 2.171 1.00 15.00 H new ATOM 0 HG1 THR A 430 13.729 13.742 2.270 1.00 15.00 H new ATOM 0 HG21 THR A 430 12.382 11.773 2.415 1.00 15.00 H new ATOM 0 HG22 THR A 430 10.890 11.739 1.446 1.00 15.00 H new ATOM 0 HG23 THR A 430 12.474 11.628 0.643 1.00 15.00 H new ATOM 34 N ALA A 431 9.417 12.927 -0.984 1.00 15.00 N ATOM 35 CA ALA A 431 8.044 12.453 -1.041 1.00 15.00 C ATOM 36 C ALA A 431 7.989 10.971 -0.708 1.00 15.00 C ATOM 37 O ALA A 431 8.811 10.191 -1.193 1.00 15.00 O ATOM 38 CB ALA A 431 7.441 12.718 -2.412 1.00 15.00 C ATOM 0 H ALA A 431 9.999 12.637 -1.770 1.00 15.00 H new ATOM 0 HA ALA A 431 7.456 12.998 -0.303 1.00 15.00 H new ATOM 0 HB1 ALA A 431 6.413 12.356 -2.434 1.00 15.00 H new ATOM 0 HB2 ALA A 431 7.453 13.789 -2.614 1.00 15.00 H new ATOM 0 HB3 ALA A 431 8.025 12.199 -3.173 1.00 15.00 H new ATOM 44 N VAL A 432 7.034 10.592 0.128 1.00 15.00 N ATOM 45 CA VAL A 432 6.894 9.205 0.549 1.00 15.00 C ATOM 46 C VAL A 432 6.470 8.317 -0.627 1.00 15.00 C ATOM 47 O VAL A 432 5.381 8.466 -1.181 1.00 15.00 O ATOM 48 CB VAL A 432 5.892 9.066 1.724 1.00 15.00 C ATOM 49 CG1 VAL A 432 4.553 9.708 1.394 1.00 15.00 C ATOM 50 CG2 VAL A 432 5.703 7.607 2.108 1.00 15.00 C ATOM 0 H VAL A 432 6.343 11.226 0.529 1.00 15.00 H new ATOM 0 HA VAL A 432 7.870 8.870 0.901 1.00 15.00 H new ATOM 0 HB VAL A 432 6.315 9.595 2.578 1.00 15.00 H new ATOM 0 HG11 VAL A 432 3.875 9.592 2.240 1.00 15.00 H new ATOM 0 HG12 VAL A 432 4.699 10.769 1.189 1.00 15.00 H new ATOM 0 HG13 VAL A 432 4.124 9.224 0.516 1.00 15.00 H new ATOM 0 HG21 VAL A 432 4.996 7.537 2.934 1.00 15.00 H new ATOM 0 HG22 VAL A 432 5.318 7.053 1.252 1.00 15.00 H new ATOM 0 HG23 VAL A 432 6.660 7.184 2.413 1.00 15.00 H new ATOM 60 N SER A 433 7.352 7.414 -1.023 1.00 15.00 N ATOM 61 CA SER A 433 7.072 6.488 -2.108 1.00 15.00 C ATOM 62 C SER A 433 7.321 5.062 -1.637 1.00 15.00 C ATOM 63 O SER A 433 7.394 4.124 -2.434 1.00 15.00 O ATOM 64 CB SER A 433 7.943 6.826 -3.321 1.00 15.00 C ATOM 65 OG SER A 433 9.299 6.995 -2.949 1.00 15.00 O ATOM 0 H SER A 433 8.276 7.302 -0.605 1.00 15.00 H new ATOM 0 HA SER A 433 6.027 6.577 -2.406 1.00 15.00 H new ATOM 0 HB2 SER A 433 7.863 6.030 -4.062 1.00 15.00 H new ATOM 0 HB3 SER A 433 7.576 7.738 -3.792 1.00 15.00 H new ATOM 0 HG SER A 433 9.832 7.208 -3.743 1.00 15.00 H new ATOM 71 N GLU A 434 7.405 4.911 -0.318 1.00 15.00 N ATOM 72 CA GLU A 434 7.681 3.625 0.304 1.00 15.00 C ATOM 73 C GLU A 434 6.501 2.670 0.110 1.00 15.00 C ATOM 74 O GLU A 434 6.636 1.457 0.276 1.00 15.00 O ATOM 75 CB GLU A 434 7.958 3.797 1.805 1.00 15.00 C ATOM 76 CG GLU A 434 8.413 5.196 2.221 1.00 15.00 C ATOM 77 CD GLU A 434 9.723 5.630 1.592 1.00 15.00 C ATOM 78 OE1 GLU A 434 10.790 5.159 2.041 1.00 15.00 O ATOM 79 OE2 GLU A 434 9.687 6.459 0.658 1.00 15.00 O ATOM 0 H GLU A 434 7.284 5.676 0.346 1.00 15.00 H new ATOM 0 HA GLU A 434 8.565 3.204 -0.175 1.00 15.00 H new ATOM 0 HB2 GLU A 434 7.052 3.546 2.357 1.00 15.00 H new ATOM 0 HB3 GLU A 434 8.722 3.079 2.103 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.638 5.914 1.953 1.00 15.00 H new ATOM 0 HG3 GLU A 434 8.515 5.226 3.306 1.00 15.00 H new ATOM 86 N TRP A 435 5.342 3.236 -0.218 1.00 15.00 N ATOM 87 CA TRP A 435 4.133 2.456 -0.462 1.00 15.00 C ATOM 88 C TRP A 435 4.027 2.071 -1.934 1.00 15.00 C ATOM 89 O TRP A 435 3.952 2.936 -2.808 1.00 15.00 O ATOM 90 CB TRP A 435 2.884 3.248 -0.057 1.00 15.00 C ATOM 91 CG TRP A 435 2.714 3.424 1.426 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.961 4.554 2.156 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.245 2.440 2.356 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.670 4.329 3.482 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.231 3.039 3.628 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.836 1.109 2.233 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.821 2.350 4.769 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.431 0.429 3.366 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.426 1.051 4.618 1.00 15.00 C ATOM 0 H TRP A 435 5.215 4.243 -0.322 1.00 15.00 H new ATOM 0 HA TRP A 435 4.196 1.551 0.143 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.925 4.232 -0.525 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.004 2.742 -0.454 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.330 5.485 1.752 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.766 5.011 4.234 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.836 0.621 1.270 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.816 2.827 5.738 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.113 -0.600 3.283 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.103 0.493 5.484 1.00 15.00 H new ATOM 110 N THR A 436 4.019 0.779 -2.205 1.00 15.00 N ATOM 111 CA THR A 436 3.882 0.297 -3.570 1.00 15.00 C ATOM 112 C THR A 436 2.680 -0.640 -3.695 1.00 15.00 C ATOM 113 O THR A 436 2.549 -1.594 -2.926 1.00 15.00 O ATOM 114 CB THR A 436 5.155 -0.445 -4.022 1.00 15.00 C ATOM 115 OG1 THR A 436 6.311 0.352 -3.729 1.00 15.00 O ATOM 116 CG2 THR A 436 5.112 -0.747 -5.514 1.00 15.00 C ATOM 0 H THR A 436 4.105 0.045 -1.502 1.00 15.00 H new ATOM 0 HA THR A 436 3.729 1.165 -4.212 1.00 15.00 H new ATOM 0 HB THR A 436 5.209 -1.389 -3.479 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.118 -0.124 -4.016 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.022 -1.271 -5.806 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.247 -1.373 -5.734 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.036 0.186 -6.072 1.00 15.00 H new ATOM 124 N GLU A 437 1.794 -0.356 -4.643 1.00 15.00 N ATOM 125 CA GLU A 437 0.645 -1.221 -4.877 1.00 15.00 C ATOM 126 C GLU A 437 0.978 -2.294 -5.901 1.00 15.00 C ATOM 127 O GLU A 437 1.353 -2.000 -7.037 1.00 15.00 O ATOM 128 CB GLU A 437 -0.590 -0.428 -5.323 1.00 15.00 C ATOM 129 CG GLU A 437 -0.394 0.411 -6.579 1.00 15.00 C ATOM 130 CD GLU A 437 -1.692 1.021 -7.073 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.218 1.931 -6.402 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.196 0.585 -8.131 1.00 15.00 O ATOM 0 H GLU A 437 1.848 0.458 -5.256 1.00 15.00 H new ATOM 0 HA GLU A 437 0.406 -1.699 -3.927 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.410 -1.126 -5.494 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.895 0.229 -4.509 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.323 1.206 -6.374 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.035 -0.211 -7.365 1.00 15.00 H new ATOM 139 N TYR A 438 0.857 -3.539 -5.485 1.00 15.00 N ATOM 140 CA TYR A 438 1.061 -4.655 -6.383 1.00 15.00 C ATOM 141 C TYR A 438 -0.272 -5.079 -6.979 1.00 15.00 C ATOM 142 O TYR A 438 -1.212 -5.419 -6.256 1.00 15.00 O ATOM 143 CB TYR A 438 1.743 -5.815 -5.660 1.00 15.00 C ATOM 144 CG TYR A 438 3.202 -5.552 -5.352 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.581 -4.826 -4.228 1.00 15.00 C ATOM 146 CD2 TYR A 438 4.200 -6.027 -6.194 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.914 -4.581 -3.955 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.534 -5.787 -5.926 1.00 15.00 C ATOM 149 CZ TYR A 438 5.885 -5.064 -4.805 1.00 15.00 C ATOM 150 OH TYR A 438 7.213 -4.824 -4.532 1.00 15.00 O ATOM 0 H TYR A 438 0.618 -3.802 -4.529 1.00 15.00 H new ATOM 0 HA TYR A 438 1.721 -4.347 -7.194 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.213 -6.016 -4.729 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.664 -6.713 -6.273 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.823 -4.448 -3.558 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.928 -6.593 -7.073 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.193 -4.014 -3.079 1.00 15.00 H new ATOM 0 HE2 TYR A 438 6.298 -6.163 -6.591 1.00 15.00 H new ATOM 0 HH TYR A 438 7.769 -5.233 -5.228 1.00 15.00 H new ATOM 160 N LYS A 439 -0.341 -5.036 -8.297 1.00 15.00 N ATOM 161 CA LYS A 439 -1.578 -5.280 -9.019 1.00 15.00 C ATOM 162 C LYS A 439 -1.547 -6.663 -9.665 1.00 15.00 C ATOM 163 O LYS A 439 -0.682 -6.944 -10.494 1.00 15.00 O ATOM 164 CB LYS A 439 -1.759 -4.203 -10.093 1.00 15.00 C ATOM 165 CG LYS A 439 -3.174 -4.075 -10.635 1.00 15.00 C ATOM 166 CD LYS A 439 -4.147 -3.585 -9.569 1.00 15.00 C ATOM 167 CE LYS A 439 -3.633 -2.345 -8.843 1.00 15.00 C ATOM 168 NZ LYS A 439 -3.408 -1.192 -9.755 1.00 15.00 N ATOM 0 H LYS A 439 0.458 -4.831 -8.897 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.415 -5.241 -8.322 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -1.455 -3.242 -9.679 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.085 -4.420 -10.922 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.179 -3.383 -11.477 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.507 -5.041 -11.014 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.108 -3.360 -10.033 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.321 -4.381 -8.845 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.349 -2.058 -8.073 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -2.699 -2.588 -8.336 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -3.076 -0.374 -9.205 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -2.692 -1.446 -10.465 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -4.299 -0.949 -10.233 1.00 15.00 H new ATOM 182 N THR A 440 -2.469 -7.524 -9.275 1.00 15.00 N ATOM 183 CA THR A 440 -2.537 -8.862 -9.839 1.00 15.00 C ATOM 184 C THR A 440 -3.589 -8.929 -10.942 1.00 15.00 C ATOM 185 O THR A 440 -4.576 -8.189 -10.916 1.00 15.00 O ATOM 186 CB THR A 440 -2.848 -9.916 -8.759 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.109 -9.634 -8.146 1.00 15.00 O ATOM 188 CG2 THR A 440 -1.760 -9.945 -7.694 1.00 15.00 C ATOM 0 H THR A 440 -3.180 -7.323 -8.572 1.00 15.00 H new ATOM 0 HA THR A 440 -1.558 -9.085 -10.263 1.00 15.00 H new ATOM 0 HB THR A 440 -2.887 -10.892 -9.242 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.716 -10.392 -8.282 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.005 -10.697 -6.944 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.804 -10.191 -8.157 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.691 -8.967 -7.217 1.00 15.00 H new ATOM 196 N ALA A 441 -3.361 -9.806 -11.912 1.00 15.00 N ATOM 197 CA ALA A 441 -4.234 -9.940 -13.074 1.00 15.00 C ATOM 198 C ALA A 441 -5.660 -10.319 -12.679 1.00 15.00 C ATOM 199 O ALA A 441 -6.619 -9.961 -13.365 1.00 15.00 O ATOM 200 CB ALA A 441 -3.662 -10.971 -14.034 1.00 15.00 C ATOM 0 H ALA A 441 -2.566 -10.445 -11.916 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.281 -8.969 -13.567 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.318 -11.066 -14.899 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.673 -10.653 -14.362 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.584 -11.934 -13.530 1.00 15.00 H new ATOM 206 N ASP A 442 -5.796 -11.041 -11.576 1.00 15.00 N ATOM 207 CA ASP A 442 -7.101 -11.504 -11.117 1.00 15.00 C ATOM 208 C ASP A 442 -7.854 -10.387 -10.389 1.00 15.00 C ATOM 209 O ASP A 442 -8.978 -10.588 -9.925 1.00 15.00 O ATOM 210 CB ASP A 442 -6.954 -12.732 -10.208 1.00 15.00 C ATOM 211 CG ASP A 442 -6.248 -12.426 -8.904 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.096 -11.953 -8.940 1.00 15.00 O ATOM 213 OD2 ASP A 442 -6.841 -12.666 -7.833 1.00 15.00 O ATOM 0 H ASP A 442 -5.017 -11.320 -10.980 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.681 -11.791 -11.994 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.943 -13.137 -9.992 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.401 -13.506 -10.740 1.00 15.00 H new ATOM 218 N GLY A 443 -7.232 -9.215 -10.299 1.00 15.00 N ATOM 219 CA GLY A 443 -7.909 -8.053 -9.756 1.00 15.00 C ATOM 220 C GLY A 443 -7.745 -7.904 -8.258 1.00 15.00 C ATOM 221 O GLY A 443 -8.725 -7.939 -7.514 1.00 15.00 O ATOM 0 H GLY A 443 -6.269 -9.050 -10.593 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.527 -7.158 -10.246 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -8.971 -8.117 -9.993 1.00 15.00 H new ATOM 225 N LYS A 444 -6.510 -7.749 -7.809 1.00 15.00 N ATOM 226 CA LYS A 444 -6.237 -7.479 -6.405 1.00 15.00 C ATOM 227 C LYS A 444 -5.227 -6.353 -6.269 1.00 15.00 C ATOM 228 O LYS A 444 -4.298 -6.231 -7.072 1.00 15.00 O ATOM 229 CB LYS A 444 -5.729 -8.733 -5.692 1.00 15.00 C ATOM 230 CG LYS A 444 -6.819 -9.747 -5.413 1.00 15.00 C ATOM 231 CD LYS A 444 -6.276 -10.982 -4.714 1.00 15.00 C ATOM 232 CE LYS A 444 -7.387 -11.965 -4.396 1.00 15.00 C ATOM 233 NZ LYS A 444 -8.175 -12.313 -5.605 1.00 15.00 N ATOM 0 H LYS A 444 -5.679 -7.806 -8.397 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.171 -7.174 -5.933 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -4.955 -9.200 -6.301 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.262 -8.443 -4.751 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -7.591 -9.289 -4.795 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.293 -10.039 -6.350 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -5.531 -11.464 -5.347 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -5.771 -10.690 -3.793 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -6.959 -12.871 -3.967 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -8.047 -11.536 -3.642 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -8.445 -13.317 -5.567 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -9.032 -11.725 -5.642 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -7.601 -12.141 -6.455 1.00 15.00 H new ATOM 247 N THR A 445 -5.415 -5.535 -5.249 1.00 15.00 N ATOM 248 CA THR A 445 -4.535 -4.413 -4.990 1.00 15.00 C ATOM 249 C THR A 445 -4.089 -4.409 -3.532 1.00 15.00 C ATOM 250 O THR A 445 -4.866 -4.069 -2.641 1.00 15.00 O ATOM 251 CB THR A 445 -5.241 -3.081 -5.306 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.798 -3.132 -6.626 1.00 15.00 O ATOM 253 CG2 THR A 445 -4.271 -1.911 -5.201 1.00 15.00 C ATOM 0 H THR A 445 -6.179 -5.630 -4.580 1.00 15.00 H new ATOM 0 HA THR A 445 -3.663 -4.518 -5.636 1.00 15.00 H new ATOM 0 HB THR A 445 -6.037 -2.932 -4.577 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.248 -2.284 -6.824 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.795 -0.983 -5.429 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.869 -1.862 -4.189 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.455 -2.050 -5.910 1.00 15.00 H new ATOM 261 N TYR A 446 -2.851 -4.806 -3.281 1.00 15.00 N ATOM 262 CA TYR A 446 -2.319 -4.750 -1.929 1.00 15.00 C ATOM 263 C TYR A 446 -1.134 -3.798 -1.863 1.00 15.00 C ATOM 264 O TYR A 446 -0.193 -3.891 -2.655 1.00 15.00 O ATOM 265 CB TYR A 446 -1.956 -6.152 -1.397 1.00 15.00 C ATOM 266 CG TYR A 446 -0.928 -6.932 -2.194 1.00 15.00 C ATOM 267 CD1 TYR A 446 -1.291 -7.651 -3.327 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.399 -6.984 -1.784 1.00 15.00 C ATOM 269 CE1 TYR A 446 -0.360 -8.397 -4.028 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.334 -7.721 -2.482 1.00 15.00 C ATOM 271 CZ TYR A 446 0.951 -8.428 -3.602 1.00 15.00 C ATOM 272 OH TYR A 446 1.881 -9.176 -4.291 1.00 15.00 O ATOM 0 H TYR A 446 -2.205 -5.165 -3.984 1.00 15.00 H new ATOM 0 HA TYR A 446 -3.101 -4.362 -1.276 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.587 -6.045 -0.377 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.869 -6.745 -1.346 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -2.316 -7.627 -3.666 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.704 -6.438 -0.904 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.659 -8.952 -4.905 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.362 -7.744 -2.152 1.00 15.00 H new ATOM 0 HH TYR A 446 2.756 -9.088 -3.860 1.00 15.00 H new ATOM 282 N TYR A 447 -1.199 -2.876 -0.913 1.00 15.00 N ATOM 283 CA TYR A 447 -0.164 -1.876 -0.731 1.00 15.00 C ATOM 284 C TYR A 447 0.899 -2.386 0.226 1.00 15.00 C ATOM 285 O TYR A 447 0.645 -2.591 1.415 1.00 15.00 O ATOM 286 CB TYR A 447 -0.775 -0.574 -0.208 1.00 15.00 C ATOM 287 CG TYR A 447 -1.555 0.189 -1.256 1.00 15.00 C ATOM 288 CD1 TYR A 447 -0.929 1.133 -2.058 1.00 15.00 C ATOM 289 CD2 TYR A 447 -2.912 -0.044 -1.453 1.00 15.00 C ATOM 290 CE1 TYR A 447 -1.630 1.822 -3.030 1.00 15.00 C ATOM 291 CE2 TYR A 447 -3.618 0.643 -2.421 1.00 15.00 C ATOM 292 CZ TYR A 447 -2.975 1.574 -3.205 1.00 15.00 C ATOM 293 OH TYR A 447 -3.673 2.254 -4.178 1.00 15.00 O ATOM 0 H TYR A 447 -1.970 -2.803 -0.249 1.00 15.00 H new ATOM 0 HA TYR A 447 0.306 -1.677 -1.694 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.434 -0.802 0.630 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.021 0.063 0.177 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.123 1.333 -1.920 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.421 -0.773 -0.840 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -1.127 2.550 -3.649 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -4.671 0.450 -2.562 1.00 15.00 H new ATOM 0 HH TYR A 447 -3.092 2.405 -4.952 1.00 15.00 H new ATOM 303 N TYR A 448 2.080 -2.618 -0.315 1.00 15.00 N ATOM 304 CA TYR A 448 3.190 -3.120 0.463 1.00 15.00 C ATOM 305 C TYR A 448 4.242 -2.034 0.636 1.00 15.00 C ATOM 306 O TYR A 448 4.822 -1.547 -0.337 1.00 15.00 O ATOM 307 CB TYR A 448 3.779 -4.363 -0.209 1.00 15.00 C ATOM 308 CG TYR A 448 5.017 -4.916 0.461 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.062 -5.129 1.834 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.141 -5.239 -0.288 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.192 -5.644 2.442 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.274 -5.755 0.310 1.00 15.00 C ATOM 313 CZ TYR A 448 7.295 -5.957 1.675 1.00 15.00 C ATOM 314 OH TYR A 448 8.428 -6.464 2.272 1.00 15.00 O ATOM 0 H TYR A 448 2.294 -2.464 -1.300 1.00 15.00 H new ATOM 0 HA TYR A 448 2.837 -3.406 1.454 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.017 -5.142 -0.233 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.020 -4.120 -1.244 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.199 -4.888 2.437 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.129 -5.084 -1.357 1.00 15.00 H new ATOM 0 HE1 TYR A 448 6.211 -5.800 3.510 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.140 -5.999 -0.288 1.00 15.00 H new ATOM 0 HH TYR A 448 9.111 -6.631 1.589 1.00 15.00 H new ATOM 324 N ASN A 449 4.447 -1.638 1.878 1.00 15.00 N ATOM 325 CA ASN A 449 5.454 -0.652 2.217 1.00 15.00 C ATOM 326 C ASN A 449 6.764 -1.362 2.515 1.00 15.00 C ATOM 327 O ASN A 449 6.856 -2.122 3.484 1.00 15.00 O ATOM 328 CB ASN A 449 4.995 0.168 3.429 1.00 15.00 C ATOM 329 CG ASN A 449 5.916 1.331 3.762 1.00 15.00 C ATOM 330 OD1 ASN A 449 7.125 1.269 3.560 1.00 15.00 O ATOM 331 ND2 ASN A 449 5.343 2.402 4.281 1.00 15.00 N ATOM 0 H ASN A 449 3.921 -1.990 2.678 1.00 15.00 H new ATOM 0 HA ASN A 449 5.601 0.030 1.379 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.993 0.552 3.239 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.925 -0.489 4.296 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.909 3.214 4.528 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.335 2.417 4.435 1.00 15.00 H new ATOM 338 N ASN A 450 7.765 -1.116 1.678 1.00 15.00 N ATOM 339 CA ASN A 450 9.063 -1.788 1.787 1.00 15.00 C ATOM 340 C ASN A 450 9.842 -1.310 3.002 1.00 15.00 C ATOM 341 O ASN A 450 10.808 -1.940 3.423 1.00 15.00 O ATOM 342 CB ASN A 450 9.910 -1.536 0.534 1.00 15.00 C ATOM 343 CG ASN A 450 9.335 -2.164 -0.719 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.729 -3.230 -0.673 1.00 15.00 O ATOM 345 ND2 ASN A 450 9.526 -1.504 -1.851 1.00 15.00 N ATOM 0 H ASN A 450 7.705 -0.450 0.908 1.00 15.00 H new ATOM 0 HA ASN A 450 8.859 -2.854 1.892 1.00 15.00 H new ATOM 0 HB2 ASN A 450 10.007 -0.461 0.381 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.914 -1.927 0.699 1.00 15.00 H new ATOM 0 HD21 ASN A 450 9.164 -1.879 -2.728 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.035 -0.620 -1.846 1.00 15.00 H new ATOM 352 N ARG A 451 9.430 -0.182 3.549 1.00 15.00 N ATOM 353 CA ARG A 451 10.156 0.441 4.637 1.00 15.00 C ATOM 354 C ARG A 451 9.660 -0.066 5.984 1.00 15.00 C ATOM 355 O ARG A 451 10.450 -0.286 6.901 1.00 15.00 O ATOM 356 CB ARG A 451 10.008 1.957 4.537 1.00 15.00 C ATOM 357 CG ARG A 451 10.912 2.742 5.462 1.00 15.00 C ATOM 358 CD ARG A 451 10.812 4.225 5.164 1.00 15.00 C ATOM 359 NE ARG A 451 11.734 5.010 5.964 1.00 15.00 N ATOM 360 CZ ARG A 451 12.272 6.155 5.558 1.00 15.00 C ATOM 361 NH1 ARG A 451 12.052 6.591 4.319 1.00 15.00 N ATOM 362 NH2 ARG A 451 13.044 6.857 6.376 1.00 15.00 N ATOM 0 H ARG A 451 8.593 0.322 3.256 1.00 15.00 H new ATOM 0 HA ARG A 451 11.211 0.178 4.559 1.00 15.00 H new ATOM 0 HB2 ARG A 451 10.209 2.261 3.510 1.00 15.00 H new ATOM 0 HB3 ARG A 451 8.973 2.222 4.751 1.00 15.00 H new ATOM 0 HG2 ARG A 451 10.634 2.553 6.499 1.00 15.00 H new ATOM 0 HG3 ARG A 451 11.943 2.409 5.342 1.00 15.00 H new ATOM 0 HD2 ARG A 451 11.015 4.396 4.107 1.00 15.00 H new ATOM 0 HD3 ARG A 451 9.793 4.563 5.351 1.00 15.00 H new ATOM 0 HE ARG A 451 11.983 4.663 6.890 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.471 6.046 3.682 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.465 7.470 4.007 1.00 15.00 H new ATOM 0 HH21 ARG A 451 13.227 6.518 7.321 1.00 15.00 H new ATOM 0 HH22 ARG A 451 13.455 7.736 6.061 1.00 15.00 H new ATOM 376 N THR A 452 8.356 -0.247 6.103 1.00 15.00 N ATOM 377 CA THR A 452 7.775 -0.731 7.344 1.00 15.00 C ATOM 378 C THR A 452 7.406 -2.209 7.241 1.00 15.00 C ATOM 379 O THR A 452 6.980 -2.818 8.225 1.00 15.00 O ATOM 380 CB THR A 452 6.529 0.086 7.731 1.00 15.00 C ATOM 381 OG1 THR A 452 5.624 0.156 6.620 1.00 15.00 O ATOM 382 CG2 THR A 452 6.914 1.493 8.167 1.00 15.00 C ATOM 0 H THR A 452 7.682 -0.067 5.359 1.00 15.00 H new ATOM 0 HA THR A 452 8.530 -0.610 8.121 1.00 15.00 H new ATOM 0 HB THR A 452 6.041 -0.414 8.567 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.833 0.676 6.874 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.016 2.049 8.435 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.578 1.438 9.030 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.425 2.001 7.349 1.00 15.00 H new ATOM 390 N LEU A 453 7.569 -2.767 6.040 1.00 15.00 N ATOM 391 CA LEU A 453 7.293 -4.183 5.769 1.00 15.00 C ATOM 392 C LEU A 453 5.798 -4.483 5.924 1.00 15.00 C ATOM 393 O LEU A 453 5.397 -5.631 6.114 1.00 15.00 O ATOM 394 CB LEU A 453 8.119 -5.080 6.703 1.00 15.00 C ATOM 395 CG LEU A 453 9.615 -4.751 6.783 1.00 15.00 C ATOM 396 CD1 LEU A 453 10.341 -5.791 7.622 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.224 -4.660 5.393 1.00 15.00 C ATOM 0 H LEU A 453 7.897 -2.250 5.224 1.00 15.00 H new ATOM 0 HA LEU A 453 7.581 -4.396 4.739 1.00 15.00 H new ATOM 0 HB2 LEU A 453 7.697 -5.017 7.706 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.009 -6.114 6.376 1.00 15.00 H new ATOM 0 HG LEU A 453 9.728 -3.779 7.264 1.00 15.00 H new ATOM 0 HD11 LEU A 453 11.402 -5.544 7.670 1.00 15.00 H new ATOM 0 HD12 LEU A 453 9.925 -5.801 8.629 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.217 -6.775 7.169 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.285 -4.426 5.475 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.102 -5.613 4.879 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.722 -3.875 4.827 1.00 15.00 H new ATOM 409 N GLU A 454 4.979 -3.452 5.764 1.00 15.00 N ATOM 410 CA GLU A 454 3.544 -3.554 6.031 1.00 15.00 C ATOM 411 C GLU A 454 2.751 -3.741 4.745 1.00 15.00 C ATOM 412 O GLU A 454 2.920 -2.985 3.792 1.00 15.00 O ATOM 413 CB GLU A 454 3.056 -2.299 6.762 1.00 15.00 C ATOM 414 CG GLU A 454 3.592 -2.175 8.178 1.00 15.00 C ATOM 415 CD GLU A 454 3.068 -3.267 9.084 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.703 -4.336 9.175 1.00 15.00 O ATOM 417 OE2 GLU A 454 2.010 -3.062 9.715 1.00 15.00 O ATOM 0 H GLU A 454 5.282 -2.530 5.449 1.00 15.00 H new ATOM 0 HA GLU A 454 3.382 -4.430 6.660 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.351 -1.418 6.192 1.00 15.00 H new ATOM 0 HB3 GLU A 454 1.966 -2.307 6.794 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.681 -2.214 8.157 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.315 -1.203 8.586 1.00 15.00 H new ATOM 424 N SER A 455 1.881 -4.743 4.729 1.00 15.00 N ATOM 425 CA SER A 455 1.032 -5.008 3.575 1.00 15.00 C ATOM 426 C SER A 455 -0.437 -4.800 3.935 1.00 15.00 C ATOM 427 O SER A 455 -0.984 -5.518 4.772 1.00 15.00 O ATOM 428 CB SER A 455 1.245 -6.439 3.084 1.00 15.00 C ATOM 429 OG SER A 455 2.618 -6.700 2.860 1.00 15.00 O ATOM 0 H SER A 455 1.745 -5.389 5.507 1.00 15.00 H new ATOM 0 HA SER A 455 1.302 -4.312 2.780 1.00 15.00 H new ATOM 0 HB2 SER A 455 0.853 -7.142 3.819 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.686 -6.598 2.162 1.00 15.00 H new ATOM 0 HG SER A 455 2.729 -7.622 2.548 1.00 15.00 H new ATOM 435 N TYR A 456 -1.067 -3.809 3.317 1.00 15.00 N ATOM 436 CA TYR A 456 -2.480 -3.531 3.560 1.00 15.00 C ATOM 437 C TYR A 456 -3.256 -3.555 2.249 1.00 15.00 C ATOM 438 O TYR A 456 -2.899 -2.858 1.303 1.00 15.00 O ATOM 439 CB TYR A 456 -2.670 -2.162 4.222 1.00 15.00 C ATOM 440 CG TYR A 456 -1.933 -1.978 5.530 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.900 -2.982 6.490 1.00 15.00 C ATOM 442 CD2 TYR A 456 -1.286 -0.784 5.810 1.00 15.00 C ATOM 443 CE1 TYR A 456 -1.237 -2.800 7.686 1.00 15.00 C ATOM 444 CE2 TYR A 456 -0.621 -0.597 7.005 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.599 -1.606 7.938 1.00 15.00 C ATOM 446 OH TYR A 456 0.057 -1.415 9.133 1.00 15.00 O ATOM 0 H TYR A 456 -0.624 -3.184 2.644 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.856 -4.305 4.230 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -2.343 -1.390 3.526 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.734 -2.004 4.396 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.401 -3.919 6.297 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -1.303 0.013 5.081 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -1.218 -3.591 8.422 1.00 15.00 H new ATOM 0 HE2 TYR A 456 -0.120 0.338 7.206 1.00 15.00 H new ATOM 0 HH TYR A 456 0.770 -2.081 9.225 1.00 15.00 H new ATOM 456 N TRP A 457 -4.322 -4.345 2.196 1.00 15.00 N ATOM 457 CA TRP A 457 -5.179 -4.392 1.011 1.00 15.00 C ATOM 458 C TRP A 457 -5.967 -3.094 0.875 1.00 15.00 C ATOM 459 O TRP A 457 -6.436 -2.747 -0.205 1.00 15.00 O ATOM 460 CB TRP A 457 -6.152 -5.574 1.089 1.00 15.00 C ATOM 461 CG TRP A 457 -5.479 -6.907 1.190 1.00 15.00 C ATOM 462 CD1 TRP A 457 -5.118 -7.556 2.335 1.00 15.00 C ATOM 463 CD2 TRP A 457 -5.088 -7.756 0.105 1.00 15.00 C ATOM 464 NE1 TRP A 457 -4.524 -8.754 2.029 1.00 15.00 N ATOM 465 CE2 TRP A 457 -4.494 -8.902 0.667 1.00 15.00 C ATOM 466 CE3 TRP A 457 -5.181 -7.658 -1.287 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.997 -9.942 -0.114 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.688 -8.690 -2.060 1.00 15.00 C ATOM 469 CH2 TRP A 457 -4.102 -9.821 -1.472 1.00 15.00 C ATOM 0 H TRP A 457 -4.615 -4.960 2.955 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.539 -4.519 0.138 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.803 -5.440 1.953 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.790 -5.566 0.205 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -5.277 -7.181 3.335 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -4.163 -9.426 2.706 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.630 -6.791 -1.749 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -3.545 -10.813 0.337 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.755 -8.626 -3.136 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.726 -10.612 -2.104 1.00 15.00 H new ATOM 480 N GLU A 458 -6.113 -2.392 1.990 1.00 15.00 N ATOM 481 CA GLU A 458 -6.872 -1.153 2.036 1.00 15.00 C ATOM 482 C GLU A 458 -5.923 0.032 2.150 1.00 15.00 C ATOM 483 O GLU A 458 -4.916 -0.045 2.857 1.00 15.00 O ATOM 484 CB GLU A 458 -7.822 -1.178 3.236 1.00 15.00 C ATOM 485 CG GLU A 458 -8.848 -2.300 3.186 1.00 15.00 C ATOM 486 CD GLU A 458 -9.844 -2.134 2.058 1.00 15.00 C ATOM 487 OE1 GLU A 458 -10.849 -1.423 2.255 1.00 15.00 O ATOM 488 OE2 GLU A 458 -9.634 -2.722 0.980 1.00 15.00 O ATOM 0 H GLU A 458 -5.709 -2.666 2.886 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.453 -1.053 1.120 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.235 -1.276 4.149 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -8.345 -0.223 3.293 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -8.332 -3.253 3.072 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -9.383 -2.339 4.135 1.00 15.00 H new ATOM 495 N LYS A 459 -6.255 1.126 1.473 1.00 15.00 N ATOM 496 CA LYS A 459 -5.443 2.334 1.522 1.00 15.00 C ATOM 497 C LYS A 459 -5.341 2.863 2.948 1.00 15.00 C ATOM 498 O LYS A 459 -6.352 3.183 3.575 1.00 15.00 O ATOM 499 CB LYS A 459 -6.025 3.428 0.621 1.00 15.00 C ATOM 500 CG LYS A 459 -5.773 3.216 -0.861 1.00 15.00 C ATOM 501 CD LYS A 459 -6.222 4.427 -1.663 1.00 15.00 C ATOM 502 CE LYS A 459 -5.796 4.333 -3.121 1.00 15.00 C ATOM 503 NZ LYS A 459 -6.473 3.222 -3.840 1.00 15.00 N ATOM 0 H LYS A 459 -7.083 1.200 0.883 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.448 2.069 1.163 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.100 3.488 0.790 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.602 4.388 0.916 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -4.712 3.034 -1.032 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.307 2.329 -1.202 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.307 4.517 -1.607 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -5.804 5.331 -1.220 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -6.018 5.275 -3.623 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -4.717 4.191 -3.173 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -5.762 2.538 -4.171 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.138 2.747 -3.197 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -6.993 3.603 -4.656 1.00 15.00 H new ATOM 517 N PRO A 460 -4.115 2.953 3.477 1.00 15.00 N ATOM 518 CA PRO A 460 -3.868 3.511 4.808 1.00 15.00 C ATOM 519 C PRO A 460 -4.186 5.003 4.855 1.00 15.00 C ATOM 520 O PRO A 460 -3.987 5.719 3.870 1.00 15.00 O ATOM 521 CB PRO A 460 -2.367 3.280 5.020 1.00 15.00 C ATOM 522 CG PRO A 460 -1.800 3.158 3.649 1.00 15.00 C ATOM 523 CD PRO A 460 -2.873 2.516 2.819 1.00 15.00 C ATOM 0 HA PRO A 460 -4.491 3.049 5.574 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.913 4.109 5.563 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.185 2.378 5.604 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.529 4.135 3.250 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.894 2.552 3.653 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.830 2.845 1.781 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.781 1.430 2.813 1.00 15.00 H new ATOM 531 N GLN A 461 -4.636 5.480 6.010 1.00 15.00 N ATOM 532 CA GLN A 461 -4.991 6.888 6.173 1.00 15.00 C ATOM 533 C GLN A 461 -3.742 7.769 6.086 1.00 15.00 C ATOM 534 O GLN A 461 -3.831 8.995 5.994 1.00 15.00 O ATOM 535 CB GLN A 461 -5.700 7.101 7.512 1.00 15.00 C ATOM 536 CG GLN A 461 -6.484 8.399 7.602 1.00 15.00 C ATOM 537 CD GLN A 461 -7.639 8.452 6.620 1.00 15.00 C ATOM 538 OE1 GLN A 461 -8.215 7.426 6.261 1.00 15.00 O ATOM 539 NE2 GLN A 461 -7.996 9.649 6.190 1.00 15.00 N ATOM 0 H GLN A 461 -4.764 4.914 6.849 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.669 7.171 5.368 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.379 6.267 7.688 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -4.958 7.082 8.310 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.868 8.518 8.615 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.814 9.238 7.414 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.494 10.477 6.511 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.774 9.745 5.537 1.00 15.00 H new ATOM 548 N GLU A 462 -2.579 7.127 6.138 1.00 15.00 N ATOM 549 CA GLU A 462 -1.303 7.807 5.957 1.00 15.00 C ATOM 550 C GLU A 462 -1.130 8.221 4.497 1.00 15.00 C ATOM 551 O GLU A 462 -0.445 9.199 4.187 1.00 15.00 O ATOM 552 CB GLU A 462 -0.158 6.885 6.393 1.00 15.00 C ATOM 553 CG GLU A 462 1.231 7.485 6.243 1.00 15.00 C ATOM 554 CD GLU A 462 2.323 6.516 6.653 1.00 15.00 C ATOM 555 OE1 GLU A 462 2.563 6.370 7.871 1.00 15.00 O ATOM 556 OE2 GLU A 462 2.938 5.890 5.763 1.00 15.00 O ATOM 0 H GLU A 462 -2.495 6.124 6.306 1.00 15.00 H new ATOM 0 HA GLU A 462 -1.285 8.705 6.574 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.309 6.609 7.436 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -0.207 5.966 5.809 1.00 15.00 H new ATOM 0 HG2 GLU A 462 1.385 7.785 5.206 1.00 15.00 H new ATOM 0 HG3 GLU A 462 1.302 8.387 6.850 1.00 15.00 H new ATOM 563 N LEU A 463 -1.751 7.462 3.607 1.00 15.00 N ATOM 564 CA LEU A 463 -1.668 7.732 2.182 1.00 15.00 C ATOM 565 C LEU A 463 -2.869 8.552 1.740 1.00 15.00 C ATOM 566 O LEU A 463 -2.717 9.520 0.993 1.00 15.00 O ATOM 567 CB LEU A 463 -1.606 6.423 1.392 1.00 15.00 C ATOM 568 CG LEU A 463 -1.503 6.570 -0.128 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.199 7.247 -0.515 1.00 15.00 C ATOM 570 CD2 LEU A 463 -1.611 5.211 -0.800 1.00 15.00 C ATOM 0 H LEU A 463 -2.320 6.651 3.849 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.758 8.298 1.986 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.748 5.849 1.742 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.496 5.838 1.623 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.329 7.195 -0.468 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.146 7.342 -1.600 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.155 8.237 -0.062 1.00 15.00 H new ATOM 0 HD13 LEU A 463 0.641 6.648 -0.162 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.536 5.332 -1.881 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -0.804 4.567 -0.450 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.571 4.758 -0.552 1.00 15.00 H new ATOM 582 N LYS A 464 -4.050 8.140 2.226 1.00 15.00 N ATOM 583 CA LYS A 464 -5.335 8.803 1.952 1.00 15.00 C ATOM 584 C LYS A 464 -5.455 9.265 0.495 1.00 15.00 C ATOM 585 O LYS A 464 -5.861 8.442 -0.350 1.00 15.00 O ATOM 586 CB LYS A 464 -5.597 9.960 2.943 1.00 15.00 C ATOM 587 CG LYS A 464 -4.465 10.970 3.056 1.00 15.00 C ATOM 588 CD LYS A 464 -4.883 12.341 2.548 1.00 15.00 C ATOM 589 CE LYS A 464 -3.674 13.165 2.147 1.00 15.00 C ATOM 590 NZ LYS A 464 -2.938 12.541 1.016 1.00 15.00 N ATOM 591 OXT LYS A 464 -5.155 10.440 0.196 1.00 15.00 O ATOM 0 H LYS A 464 -4.141 7.323 2.830 1.00 15.00 H new ATOM 0 HA LYS A 464 -6.114 8.056 2.105 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -6.503 10.483 2.638 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -5.789 9.538 3.930 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -4.149 11.048 4.096 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.605 10.618 2.487 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -5.550 12.228 1.693 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -5.443 12.864 3.323 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -3.994 14.168 1.865 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -3.006 13.272 3.002 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -2.056 12.116 1.368 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -3.529 11.803 0.582 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -2.713 13.267 0.306 1.00 15.00 H new TER 605 LYS A 464