USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 248 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 447 TYR OH : rot 180:sc= -0.0178 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -150:sc= 0.25 (180deg=0.0288) USER MOD Set 2.1: A 439 LYS NZ :NH3+ -162:sc= -0.253 (180deg=-2.48!) USER MOD Set 2.2: A 445 THR OG1 : rot 120:sc= 0.548 USER MOD Set 3.1: A 436 THR OG1 : rot -130:sc= 0.126 USER MOD Set 3.2: A 450 ASN : amide:sc= -0.579 K(o=-0.45,f=-1.8!) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 117:sc= 1.34 USER MOD Single : A 444 LYS NZ :NH3+ 141:sc= 1.12 (180deg=0.703) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 130:sc= -0.151 USER MOD Single : A 449 ASN : amide:sc= 0.447 K(o=0.45,f=-8.8!) USER MOD Single : A 452 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 456 TYR OH : rot 33:sc= 1.23 USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 464 LYS NZ :NH3+ -169:sc= 0.431 (180deg=0.224) USER MOD ----------------------------------------------------------------- ATOM 86 N TRP A 435 4.842 3.673 -0.014 1.00 15.00 N ATOM 87 CA TRP A 435 3.663 2.881 -0.328 1.00 15.00 C ATOM 88 C TRP A 435 3.668 2.465 -1.788 1.00 15.00 C ATOM 89 O TRP A 435 3.615 3.307 -2.680 1.00 15.00 O ATOM 90 CB TRP A 435 2.385 3.666 -0.020 1.00 15.00 C ATOM 91 CG TRP A 435 2.097 3.790 1.444 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.119 4.930 2.196 1.00 15.00 C ATOM 93 CD2 TRP A 435 1.743 2.727 2.332 1.00 15.00 C ATOM 94 NE1 TRP A 435 1.801 4.637 3.500 1.00 15.00 N ATOM 95 CE2 TRP A 435 1.566 3.293 3.609 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.555 1.351 2.170 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.211 2.529 4.718 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.203 0.595 3.271 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.034 1.185 4.531 1.00 15.00 C ATOM 0 HA TRP A 435 3.687 1.986 0.294 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.468 4.664 -0.451 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.542 3.177 -0.508 1.00 15.00 H new ATOM 0 HD1 TRP A 435 2.352 5.916 1.821 1.00 15.00 H new ATOM 0 HE1 TRP A 435 1.749 5.312 4.263 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.683 0.888 1.203 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.080 2.981 5.690 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.055 -0.469 3.159 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.758 0.566 5.372 1.00 15.00 H new ATOM 110 N THR A 436 3.748 1.169 -2.025 1.00 15.00 N ATOM 111 CA THR A 436 3.747 0.644 -3.379 1.00 15.00 C ATOM 112 C THR A 436 2.576 -0.318 -3.582 1.00 15.00 C ATOM 113 O THR A 436 2.497 -1.359 -2.932 1.00 15.00 O ATOM 114 CB THR A 436 5.071 -0.082 -3.685 1.00 15.00 C ATOM 115 OG1 THR A 436 6.171 0.706 -3.210 1.00 15.00 O ATOM 116 CG2 THR A 436 5.230 -0.322 -5.180 1.00 15.00 C ATOM 0 H THR A 436 3.815 0.459 -1.296 1.00 15.00 H new ATOM 0 HA THR A 436 3.640 1.485 -4.063 1.00 15.00 H new ATOM 0 HB THR A 436 5.057 -1.047 -3.179 1.00 15.00 H new ATOM 0 HG1 THR A 436 6.838 0.800 -3.922 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.173 -0.836 -5.368 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.404 -0.936 -5.540 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.227 0.634 -5.704 1.00 15.00 H new ATOM 124 N GLU A 437 1.660 0.043 -4.470 1.00 15.00 N ATOM 125 CA GLU A 437 0.498 -0.791 -4.741 1.00 15.00 C ATOM 126 C GLU A 437 0.792 -1.779 -5.865 1.00 15.00 C ATOM 127 O GLU A 437 1.209 -1.391 -6.958 1.00 15.00 O ATOM 128 CB GLU A 437 -0.718 0.074 -5.098 1.00 15.00 C ATOM 129 CG GLU A 437 -0.484 1.032 -6.256 1.00 15.00 C ATOM 130 CD GLU A 437 -1.764 1.660 -6.766 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.355 2.484 -6.045 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.181 1.337 -7.899 1.00 15.00 O ATOM 0 H GLU A 437 1.699 0.905 -5.013 1.00 15.00 H new ATOM 0 HA GLU A 437 0.269 -1.355 -3.837 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.555 -0.580 -5.345 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.011 0.649 -4.219 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.200 1.819 -5.938 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.003 0.497 -7.071 1.00 15.00 H new ATOM 139 N TYR A 438 0.588 -3.058 -5.589 1.00 15.00 N ATOM 140 CA TYR A 438 0.755 -4.089 -6.600 1.00 15.00 C ATOM 141 C TYR A 438 -0.601 -4.660 -7.000 1.00 15.00 C ATOM 142 O TYR A 438 -1.292 -5.274 -6.185 1.00 15.00 O ATOM 143 CB TYR A 438 1.672 -5.204 -6.095 1.00 15.00 C ATOM 144 CG TYR A 438 3.094 -4.759 -5.818 1.00 15.00 C ATOM 145 CD1 TYR A 438 4.039 -4.714 -6.837 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.494 -4.390 -4.538 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.339 -4.316 -6.589 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.793 -3.990 -4.284 1.00 15.00 C ATOM 149 CZ TYR A 438 5.710 -3.955 -5.311 1.00 15.00 C ATOM 150 OH TYR A 438 7.004 -3.558 -5.059 1.00 15.00 O ATOM 0 H TYR A 438 0.306 -3.406 -4.673 1.00 15.00 H new ATOM 0 HA TYR A 438 1.219 -3.636 -7.476 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.249 -5.621 -5.181 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.691 -6.006 -6.833 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.752 -4.995 -7.840 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.778 -4.416 -3.729 1.00 15.00 H new ATOM 0 HE1 TYR A 438 6.061 -4.288 -7.392 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.087 -3.706 -3.284 1.00 15.00 H new ATOM 0 HH TYR A 438 7.099 -3.337 -4.109 1.00 15.00 H new ATOM 160 N LYS A 439 -0.976 -4.430 -8.249 1.00 15.00 N ATOM 161 CA LYS A 439 -2.241 -4.913 -8.783 1.00 15.00 C ATOM 162 C LYS A 439 -2.055 -6.271 -9.449 1.00 15.00 C ATOM 163 O LYS A 439 -1.227 -6.421 -10.348 1.00 15.00 O ATOM 164 CB LYS A 439 -2.791 -3.909 -9.805 1.00 15.00 C ATOM 165 CG LYS A 439 -4.018 -4.398 -10.565 1.00 15.00 C ATOM 166 CD LYS A 439 -5.271 -4.410 -9.704 1.00 15.00 C ATOM 167 CE LYS A 439 -5.950 -3.045 -9.656 1.00 15.00 C ATOM 168 NZ LYS A 439 -5.174 -2.042 -8.880 1.00 15.00 N ATOM 0 H LYS A 439 -0.414 -3.905 -8.919 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.948 -5.019 -7.960 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.043 -2.983 -9.288 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.005 -3.670 -10.522 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.183 -3.758 -11.432 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.831 -5.403 -10.942 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.971 -5.149 -10.094 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.011 -4.721 -8.692 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.093 -2.679 -10.673 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.941 -3.152 -9.214 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -5.794 -1.249 -8.619 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -4.798 -2.485 -8.018 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -4.386 -1.689 -9.459 1.00 15.00 H new ATOM 182 N THR A 440 -2.821 -7.251 -9.009 1.00 15.00 N ATOM 183 CA THR A 440 -2.792 -8.567 -9.619 1.00 15.00 C ATOM 184 C THR A 440 -3.812 -8.645 -10.753 1.00 15.00 C ATOM 185 O THR A 440 -4.834 -7.947 -10.735 1.00 15.00 O ATOM 186 CB THR A 440 -3.065 -9.685 -8.595 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.408 -9.599 -8.111 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.092 -9.599 -7.427 1.00 15.00 C ATOM 0 H THR A 440 -3.473 -7.160 -8.229 1.00 15.00 H new ATOM 0 HA THR A 440 -1.788 -8.718 -10.017 1.00 15.00 H new ATOM 0 HB THR A 440 -2.925 -10.643 -9.096 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.899 -10.409 -8.363 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.304 -10.398 -6.717 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.071 -9.702 -7.795 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.203 -8.635 -6.931 1.00 15.00 H new ATOM 196 N ALA A 441 -3.513 -9.469 -11.752 1.00 15.00 N ATOM 197 CA ALA A 441 -4.359 -9.609 -12.933 1.00 15.00 C ATOM 198 C ALA A 441 -5.783 -10.033 -12.569 1.00 15.00 C ATOM 199 O ALA A 441 -6.738 -9.682 -13.263 1.00 15.00 O ATOM 200 CB ALA A 441 -3.747 -10.610 -13.902 1.00 15.00 C ATOM 0 H ALA A 441 -2.680 -10.057 -11.766 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.418 -8.631 -13.411 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.387 -10.706 -14.779 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.761 -10.263 -14.209 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.654 -11.580 -13.413 1.00 15.00 H new ATOM 206 N ASP A 442 -5.921 -10.775 -11.476 1.00 15.00 N ATOM 207 CA ASP A 442 -7.224 -11.275 -11.043 1.00 15.00 C ATOM 208 C ASP A 442 -7.977 -10.233 -10.214 1.00 15.00 C ATOM 209 O ASP A 442 -9.058 -10.508 -9.691 1.00 15.00 O ATOM 210 CB ASP A 442 -7.064 -12.573 -10.246 1.00 15.00 C ATOM 211 CG ASP A 442 -6.307 -12.377 -8.951 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.148 -11.929 -8.999 1.00 15.00 O ATOM 213 OD2 ASP A 442 -6.864 -12.694 -7.881 1.00 15.00 O ATOM 0 H ASP A 442 -5.145 -11.045 -10.871 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.812 -11.480 -11.937 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -8.050 -12.983 -10.027 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.542 -13.308 -10.859 1.00 15.00 H new ATOM 218 N GLY A 443 -7.407 -9.040 -10.095 1.00 15.00 N ATOM 219 CA GLY A 443 -8.128 -7.930 -9.498 1.00 15.00 C ATOM 220 C GLY A 443 -7.954 -7.821 -7.997 1.00 15.00 C ATOM 221 O GLY A 443 -8.925 -7.598 -7.271 1.00 15.00 O ATOM 0 H GLY A 443 -6.459 -8.821 -10.401 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.794 -7.002 -9.961 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.189 -8.035 -9.724 1.00 15.00 H new ATOM 225 N LYS A 444 -6.729 -7.982 -7.524 1.00 15.00 N ATOM 226 CA LYS A 444 -6.426 -7.798 -6.110 1.00 15.00 C ATOM 227 C LYS A 444 -5.214 -6.891 -5.957 1.00 15.00 C ATOM 228 O LYS A 444 -4.182 -7.112 -6.584 1.00 15.00 O ATOM 229 CB LYS A 444 -6.174 -9.148 -5.430 1.00 15.00 C ATOM 230 CG LYS A 444 -7.395 -10.056 -5.409 1.00 15.00 C ATOM 231 CD LYS A 444 -7.083 -11.408 -4.790 1.00 15.00 C ATOM 232 CE LYS A 444 -8.300 -12.318 -4.803 1.00 15.00 C ATOM 233 NZ LYS A 444 -8.823 -12.525 -6.180 1.00 15.00 N ATOM 0 H LYS A 444 -5.926 -8.240 -8.097 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.283 -7.330 -5.626 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.360 -9.659 -5.945 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.843 -8.974 -4.406 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.196 -9.575 -4.847 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.760 -10.198 -6.426 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.267 -11.881 -5.337 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.741 -11.270 -3.764 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -8.038 -13.281 -4.366 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -9.082 -11.887 -4.178 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -9.127 -13.513 -6.291 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -9.633 -11.893 -6.342 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -8.075 -12.313 -6.871 1.00 15.00 H new ATOM 247 N THR A 445 -5.340 -5.867 -5.133 1.00 15.00 N ATOM 248 CA THR A 445 -4.255 -4.928 -4.931 1.00 15.00 C ATOM 249 C THR A 445 -3.803 -4.914 -3.478 1.00 15.00 C ATOM 250 O THR A 445 -4.555 -4.508 -2.588 1.00 15.00 O ATOM 251 CB THR A 445 -4.669 -3.505 -5.336 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.281 -3.532 -6.630 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.466 -2.577 -5.364 1.00 15.00 C ATOM 0 H THR A 445 -6.182 -5.666 -4.594 1.00 15.00 H new ATOM 0 HA THR A 445 -3.430 -5.257 -5.562 1.00 15.00 H new ATOM 0 HB THR A 445 -5.379 -3.130 -4.598 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.198 -3.194 -6.565 1.00 15.00 H new ATOM 0 HG21 THR A 445 -3.785 -1.576 -5.653 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.011 -2.541 -4.374 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.737 -2.948 -6.085 1.00 15.00 H new ATOM 261 N TYR A 446 -2.585 -5.369 -3.239 1.00 15.00 N ATOM 262 CA TYR A 446 -2.006 -5.294 -1.911 1.00 15.00 C ATOM 263 C TYR A 446 -1.021 -4.134 -1.847 1.00 15.00 C ATOM 264 O TYR A 446 -0.146 -3.992 -2.706 1.00 15.00 O ATOM 265 CB TYR A 446 -1.342 -6.623 -1.513 1.00 15.00 C ATOM 266 CG TYR A 446 -0.244 -7.110 -2.439 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.540 -7.887 -3.552 1.00 15.00 C ATOM 268 CD2 TYR A 446 1.090 -6.815 -2.183 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.460 -8.351 -4.384 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.094 -7.272 -3.013 1.00 15.00 C ATOM 271 CZ TYR A 446 1.774 -8.041 -4.111 1.00 15.00 C ATOM 272 OH TYR A 446 2.776 -8.499 -4.939 1.00 15.00 O ATOM 0 H TYR A 446 -1.981 -5.792 -3.944 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.803 -5.113 -1.190 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.926 -6.515 -0.511 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.113 -7.391 -1.457 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.569 -8.132 -3.770 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.345 -6.218 -1.320 1.00 15.00 H new ATOM 0 HE1 TYR A 446 0.213 -8.954 -5.245 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.125 -7.028 -2.803 1.00 15.00 H new ATOM 0 HH TYR A 446 3.644 -8.190 -4.605 1.00 15.00 H new ATOM 282 N TYR A 447 -1.188 -3.298 -0.838 1.00 15.00 N ATOM 283 CA TYR A 447 -0.348 -2.131 -0.652 1.00 15.00 C ATOM 284 C TYR A 447 0.853 -2.489 0.207 1.00 15.00 C ATOM 285 O TYR A 447 0.710 -2.849 1.377 1.00 15.00 O ATOM 286 CB TYR A 447 -1.158 -1.005 -0.001 1.00 15.00 C ATOM 287 CG TYR A 447 -2.308 -0.529 -0.860 1.00 15.00 C ATOM 288 CD1 TYR A 447 -2.138 0.502 -1.774 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.555 -1.134 -0.779 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.181 0.922 -2.576 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.604 -0.719 -1.578 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.411 0.310 -2.474 1.00 15.00 C ATOM 293 OH TYR A 447 -5.446 0.721 -3.281 1.00 15.00 O ATOM 0 H TYR A 447 -1.909 -3.410 -0.126 1.00 15.00 H new ATOM 0 HA TYR A 447 0.010 -1.787 -1.622 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.547 -1.352 0.956 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.497 -0.164 0.209 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -1.175 0.983 -1.859 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.708 -1.943 -0.080 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -3.033 1.727 -3.280 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.569 -1.198 -1.500 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.245 0.188 -3.086 1.00 15.00 H new ATOM 303 N TYR A 448 2.029 -2.416 -0.384 1.00 15.00 N ATOM 304 CA TYR A 448 3.242 -2.796 0.307 1.00 15.00 C ATOM 305 C TYR A 448 3.959 -1.563 0.842 1.00 15.00 C ATOM 306 O TYR A 448 4.320 -0.655 0.086 1.00 15.00 O ATOM 307 CB TYR A 448 4.157 -3.581 -0.635 1.00 15.00 C ATOM 308 CG TYR A 448 5.229 -4.381 0.074 1.00 15.00 C ATOM 309 CD1 TYR A 448 4.937 -5.615 0.645 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.531 -3.908 0.170 1.00 15.00 C ATOM 311 CE1 TYR A 448 5.911 -6.351 1.292 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.511 -4.639 0.815 1.00 15.00 C ATOM 313 CZ TYR A 448 7.197 -5.860 1.374 1.00 15.00 C ATOM 314 OH TYR A 448 8.169 -6.592 2.018 1.00 15.00 O ATOM 0 H TYR A 448 2.169 -2.096 -1.342 1.00 15.00 H new ATOM 0 HA TYR A 448 2.980 -3.433 1.152 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.549 -4.259 -1.235 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.634 -2.885 -1.325 1.00 15.00 H new ATOM 0 HD1 TYR A 448 3.932 -6.005 0.582 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.782 -2.953 -0.267 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.666 -7.307 1.732 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.518 -4.256 0.881 1.00 15.00 H new ATOM 0 HH TYR A 448 8.959 -6.664 1.443 1.00 15.00 H new ATOM 324 N ASN A 449 4.136 -1.532 2.151 1.00 15.00 N ATOM 325 CA ASN A 449 4.882 -0.473 2.809 1.00 15.00 C ATOM 326 C ASN A 449 6.345 -0.867 2.889 1.00 15.00 C ATOM 327 O ASN A 449 6.702 -1.802 3.606 1.00 15.00 O ATOM 328 CB ASN A 449 4.324 -0.216 4.212 1.00 15.00 C ATOM 329 CG ASN A 449 5.155 0.777 5.004 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.093 0.395 5.701 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.823 2.056 4.901 1.00 15.00 N ATOM 0 H ASN A 449 3.767 -2.239 2.787 1.00 15.00 H new ATOM 0 HA ASN A 449 4.785 0.446 2.231 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.303 0.157 4.129 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.276 -1.159 4.757 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.353 2.763 5.411 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.038 2.333 4.312 1.00 15.00 H new ATOM 338 N ASN A 450 7.182 -0.155 2.148 1.00 15.00 N ATOM 339 CA ASN A 450 8.599 -0.499 2.024 1.00 15.00 C ATOM 340 C ASN A 450 9.386 -0.100 3.266 1.00 15.00 C ATOM 341 O ASN A 450 10.578 -0.390 3.375 1.00 15.00 O ATOM 342 CB ASN A 450 9.218 0.183 0.799 1.00 15.00 C ATOM 343 CG ASN A 450 8.592 -0.253 -0.511 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.119 -1.377 -0.647 1.00 15.00 O ATOM 345 ND2 ASN A 450 8.597 0.637 -1.491 1.00 15.00 N ATOM 0 H ASN A 450 6.905 0.672 1.618 1.00 15.00 H new ATOM 0 HA ASN A 450 8.654 -1.581 1.908 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.113 1.263 0.902 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.286 -0.033 0.773 1.00 15.00 H new ATOM 0 HD21 ASN A 450 8.198 0.398 -2.399 1.00 15.00 H new ATOM 0 HD22 ASN A 450 9.000 1.562 -1.338 1.00 15.00 H new ATOM 352 N ARG A 451 8.726 0.565 4.203 1.00 15.00 N ATOM 353 CA ARG A 451 9.398 1.061 5.396 1.00 15.00 C ATOM 354 C ARG A 451 9.471 -0.027 6.464 1.00 15.00 C ATOM 355 O ARG A 451 10.472 -0.153 7.173 1.00 15.00 O ATOM 356 CB ARG A 451 8.675 2.298 5.940 1.00 15.00 C ATOM 357 CG ARG A 451 9.448 3.061 7.011 1.00 15.00 C ATOM 358 CD ARG A 451 10.672 3.764 6.434 1.00 15.00 C ATOM 359 NE ARG A 451 11.733 2.829 6.063 1.00 15.00 N ATOM 360 CZ ARG A 451 12.338 2.812 4.873 1.00 15.00 C ATOM 361 NH1 ARG A 451 11.958 3.645 3.908 1.00 15.00 N ATOM 362 NH2 ARG A 451 13.305 1.938 4.642 1.00 15.00 N ATOM 0 H ARG A 451 7.728 0.773 4.161 1.00 15.00 H new ATOM 0 HA ARG A 451 10.415 1.344 5.125 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.464 2.974 5.111 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.714 1.990 6.353 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.793 3.797 7.477 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.761 2.371 7.794 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.376 4.339 5.557 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.058 4.474 7.166 1.00 15.00 H new ATOM 0 HE ARG A 451 12.030 2.145 6.759 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.198 4.305 4.074 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.427 3.624 3.002 1.00 15.00 H new ATOM 0 HH21 ARG A 451 13.584 1.282 5.371 1.00 15.00 H new ATOM 0 HH22 ARG A 451 13.771 1.921 3.735 1.00 15.00 H new ATOM 376 N THR A 452 8.402 -0.803 6.580 1.00 15.00 N ATOM 377 CA THR A 452 8.339 -1.874 7.563 1.00 15.00 C ATOM 378 C THR A 452 8.068 -3.221 6.881 1.00 15.00 C ATOM 379 O THR A 452 7.960 -4.253 7.541 1.00 15.00 O ATOM 380 CB THR A 452 7.247 -1.579 8.617 1.00 15.00 C ATOM 381 OG1 THR A 452 7.337 -0.207 9.032 1.00 15.00 O ATOM 382 CG2 THR A 452 7.393 -2.479 9.839 1.00 15.00 C ATOM 0 H THR A 452 7.565 -0.710 6.004 1.00 15.00 H new ATOM 0 HA THR A 452 9.304 -1.930 8.067 1.00 15.00 H new ATOM 0 HB THR A 452 6.277 -1.774 8.159 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.643 -0.021 9.699 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.609 -2.244 10.559 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.306 -3.522 9.535 1.00 15.00 H new ATOM 0 HG23 THR A 452 8.368 -2.315 10.297 1.00 15.00 H new ATOM 390 N LEU A 453 7.968 -3.193 5.551 1.00 15.00 N ATOM 391 CA LEU A 453 7.759 -4.402 4.744 1.00 15.00 C ATOM 392 C LEU A 453 6.391 -5.022 5.035 1.00 15.00 C ATOM 393 O LEU A 453 6.190 -6.228 4.883 1.00 15.00 O ATOM 394 CB LEU A 453 8.887 -5.414 4.995 1.00 15.00 C ATOM 395 CG LEU A 453 10.299 -4.893 4.699 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.326 -6.000 4.865 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.373 -4.303 3.298 1.00 15.00 C ATOM 0 H LEU A 453 8.029 -2.336 5.002 1.00 15.00 H new ATOM 0 HA LEU A 453 7.779 -4.121 3.691 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.844 -5.733 6.036 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.706 -6.298 4.383 1.00 15.00 H new ATOM 0 HG LEU A 453 10.526 -4.104 5.416 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.320 -5.609 4.650 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.296 -6.373 5.889 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.099 -6.813 4.175 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.383 -3.940 3.109 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.121 -5.070 2.566 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.668 -3.476 3.214 1.00 15.00 H new ATOM 409 N GLU A 454 5.437 -4.168 5.392 1.00 15.00 N ATOM 410 CA GLU A 454 4.090 -4.613 5.742 1.00 15.00 C ATOM 411 C GLU A 454 3.168 -4.563 4.532 1.00 15.00 C ATOM 412 O GLU A 454 3.194 -3.603 3.766 1.00 15.00 O ATOM 413 CB GLU A 454 3.506 -3.737 6.848 1.00 15.00 C ATOM 414 CG GLU A 454 4.139 -3.949 8.211 1.00 15.00 C ATOM 415 CD GLU A 454 3.453 -3.134 9.282 1.00 15.00 C ATOM 416 OE1 GLU A 454 2.376 -3.551 9.747 1.00 15.00 O ATOM 417 OE2 GLU A 454 3.972 -2.061 9.647 1.00 15.00 O ATOM 0 H GLU A 454 5.572 -3.158 5.447 1.00 15.00 H new ATOM 0 HA GLU A 454 4.165 -5.642 6.092 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.621 -2.691 6.566 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.436 -3.931 6.923 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.092 -5.006 8.473 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.194 -3.678 8.168 1.00 15.00 H new ATOM 424 N SER A 455 2.333 -5.577 4.378 1.00 15.00 N ATOM 425 CA SER A 455 1.382 -5.613 3.281 1.00 15.00 C ATOM 426 C SER A 455 -0.045 -5.466 3.806 1.00 15.00 C ATOM 427 O SER A 455 -0.522 -6.295 4.586 1.00 15.00 O ATOM 428 CB SER A 455 1.529 -6.919 2.494 1.00 15.00 C ATOM 429 OG SER A 455 0.704 -6.926 1.341 1.00 15.00 O ATOM 0 H SER A 455 2.295 -6.386 4.999 1.00 15.00 H new ATOM 0 HA SER A 455 1.591 -4.778 2.613 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.570 -7.052 2.199 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.269 -7.762 3.134 1.00 15.00 H new ATOM 0 HG SER A 455 0.822 -7.771 0.860 1.00 15.00 H new ATOM 435 N TYR A 456 -0.712 -4.398 3.390 1.00 15.00 N ATOM 436 CA TYR A 456 -2.102 -4.165 3.767 1.00 15.00 C ATOM 437 C TYR A 456 -3.001 -4.299 2.547 1.00 15.00 C ATOM 438 O TYR A 456 -2.667 -3.810 1.471 1.00 15.00 O ATOM 439 CB TYR A 456 -2.287 -2.766 4.367 1.00 15.00 C ATOM 440 CG TYR A 456 -1.526 -2.517 5.650 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.343 -3.525 6.592 1.00 15.00 C ATOM 442 CD2 TYR A 456 -1.001 -1.261 5.922 1.00 15.00 C ATOM 443 CE1 TYR A 456 -0.653 -3.283 7.769 1.00 15.00 C ATOM 444 CE2 TYR A 456 -0.311 -1.013 7.093 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.139 -2.024 8.012 1.00 15.00 C ATOM 446 OH TYR A 456 0.548 -1.771 9.177 1.00 15.00 O ATOM 0 H TYR A 456 -0.313 -3.677 2.790 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.372 -4.909 4.516 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.977 -2.026 3.629 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.349 -2.604 4.554 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -1.744 -4.510 6.403 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -1.134 -0.464 5.206 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -0.518 -4.074 8.492 1.00 15.00 H new ATOM 0 HE2 TYR A 456 0.092 -0.030 7.287 1.00 15.00 H new ATOM 0 HH TYR A 456 1.033 -2.577 9.452 1.00 15.00 H new ATOM 456 N TRP A 457 -4.151 -4.929 2.717 1.00 15.00 N ATOM 457 CA TRP A 457 -5.101 -5.070 1.617 1.00 15.00 C ATOM 458 C TRP A 457 -6.024 -3.861 1.551 1.00 15.00 C ATOM 459 O TRP A 457 -6.863 -3.749 0.657 1.00 15.00 O ATOM 460 CB TRP A 457 -5.920 -6.352 1.760 1.00 15.00 C ATOM 461 CG TRP A 457 -5.087 -7.593 1.688 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.493 -8.242 2.730 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.736 -8.321 0.506 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.809 -9.341 2.271 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.939 -9.410 0.909 1.00 15.00 C ATOM 466 CE3 TRP A 457 -5.021 -8.163 -0.853 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.427 -10.332 0.001 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.511 -9.080 -1.752 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.721 -10.150 -1.321 1.00 15.00 C ATOM 0 H TRP A 457 -4.451 -5.349 3.597 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.533 -5.130 0.689 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.450 -6.333 2.712 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.675 -6.383 0.975 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.552 -7.937 3.764 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.288 -9.999 2.851 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.629 -7.339 -1.195 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.819 -11.162 0.330 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.726 -8.968 -2.804 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.335 -10.848 -2.049 1.00 15.00 H new ATOM 480 N GLU A 458 -5.853 -2.953 2.499 1.00 15.00 N ATOM 481 CA GLU A 458 -6.635 -1.727 2.546 1.00 15.00 C ATOM 482 C GLU A 458 -5.715 -0.527 2.356 1.00 15.00 C ATOM 483 O GLU A 458 -4.593 -0.513 2.863 1.00 15.00 O ATOM 484 CB GLU A 458 -7.385 -1.629 3.880 1.00 15.00 C ATOM 485 CG GLU A 458 -8.275 -0.399 4.000 1.00 15.00 C ATOM 486 CD GLU A 458 -9.232 -0.254 2.833 1.00 15.00 C ATOM 487 OE1 GLU A 458 -10.252 -0.974 2.794 1.00 15.00 O ATOM 488 OE2 GLU A 458 -8.972 0.586 1.946 1.00 15.00 O ATOM 0 H GLU A 458 -5.173 -3.044 3.253 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.371 -1.737 1.742 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.997 -2.522 4.008 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.660 -1.621 4.693 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -8.845 -0.457 4.927 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.650 0.492 4.065 1.00 15.00 H new ATOM 495 N LYS A 459 -6.198 0.477 1.636 1.00 15.00 N ATOM 496 CA LYS A 459 -5.404 1.663 1.345 1.00 15.00 C ATOM 497 C LYS A 459 -5.285 2.551 2.579 1.00 15.00 C ATOM 498 O LYS A 459 -6.291 2.995 3.136 1.00 15.00 O ATOM 499 CB LYS A 459 -6.024 2.456 0.190 1.00 15.00 C ATOM 500 CG LYS A 459 -5.248 3.717 -0.177 1.00 15.00 C ATOM 501 CD LYS A 459 -6.010 4.572 -1.179 1.00 15.00 C ATOM 502 CE LYS A 459 -6.158 3.873 -2.522 1.00 15.00 C ATOM 503 NZ LYS A 459 -4.894 3.885 -3.305 1.00 15.00 N ATOM 0 H LYS A 459 -7.139 0.493 1.242 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.406 1.336 1.053 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.089 1.812 -0.687 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.044 2.733 0.458 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.051 4.299 0.723 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -4.280 3.441 -0.595 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -6.997 4.806 -0.780 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -5.490 5.520 -1.318 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -6.473 2.842 -2.360 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.945 4.360 -3.098 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -5.115 3.888 -4.321 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -4.346 4.737 -3.067 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -4.335 3.039 -3.075 1.00 15.00 H new ATOM 517 N PRO A 460 -4.046 2.822 3.008 1.00 15.00 N ATOM 518 CA PRO A 460 -3.769 3.694 4.153 1.00 15.00 C ATOM 519 C PRO A 460 -4.273 5.114 3.908 1.00 15.00 C ATOM 520 O PRO A 460 -4.235 5.613 2.779 1.00 15.00 O ATOM 521 CB PRO A 460 -2.243 3.666 4.257 1.00 15.00 C ATOM 522 CG PRO A 460 -1.778 3.263 2.903 1.00 15.00 C ATOM 523 CD PRO A 460 -2.812 2.309 2.402 1.00 15.00 C ATOM 0 HA PRO A 460 -4.268 3.364 5.064 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.847 4.642 4.537 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.911 2.958 5.016 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.687 4.127 2.245 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.796 2.792 2.948 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.866 2.306 1.313 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.603 1.286 2.713 1.00 15.00 H new ATOM 531 N GLN A 461 -4.705 5.779 4.969 1.00 15.00 N ATOM 532 CA GLN A 461 -5.396 7.053 4.833 1.00 15.00 C ATOM 533 C GLN A 461 -4.423 8.234 4.815 1.00 15.00 C ATOM 534 O GLN A 461 -4.824 9.370 4.564 1.00 15.00 O ATOM 535 CB GLN A 461 -6.415 7.235 5.955 1.00 15.00 C ATOM 536 CG GLN A 461 -7.522 8.211 5.594 1.00 15.00 C ATOM 537 CD GLN A 461 -8.416 8.563 6.762 1.00 15.00 C ATOM 538 OE1 GLN A 461 -8.611 7.768 7.684 1.00 15.00 O ATOM 539 NE2 GLN A 461 -8.968 9.762 6.723 1.00 15.00 N ATOM 0 H GLN A 461 -4.590 5.459 5.931 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.916 7.034 3.875 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.855 6.268 6.200 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.903 7.588 6.850 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.077 9.124 5.199 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -8.129 7.782 4.797 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.777 10.386 5.939 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -9.585 10.064 7.477 1.00 15.00 H new ATOM 548 N GLU A 462 -3.152 7.978 5.085 1.00 15.00 N ATOM 549 CA GLU A 462 -2.148 9.032 4.996 1.00 15.00 C ATOM 550 C GLU A 462 -1.597 9.114 3.577 1.00 15.00 C ATOM 551 O GLU A 462 -0.884 10.053 3.220 1.00 15.00 O ATOM 552 CB GLU A 462 -1.026 8.848 6.032 1.00 15.00 C ATOM 553 CG GLU A 462 -0.770 7.410 6.456 1.00 15.00 C ATOM 554 CD GLU A 462 -0.106 6.590 5.379 1.00 15.00 C ATOM 555 OE1 GLU A 462 -0.801 6.191 4.433 1.00 15.00 O ATOM 556 OE2 GLU A 462 1.114 6.341 5.488 1.00 15.00 O ATOM 0 H GLU A 462 -2.793 7.065 5.364 1.00 15.00 H new ATOM 0 HA GLU A 462 -2.632 9.980 5.232 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.103 9.260 5.623 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -1.271 9.434 6.918 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -0.143 7.406 7.348 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.716 6.943 6.730 1.00 15.00 H new ATOM 563 N LEU A 463 -1.937 8.110 2.779 1.00 15.00 N ATOM 564 CA LEU A 463 -1.652 8.114 1.354 1.00 15.00 C ATOM 565 C LEU A 463 -2.712 8.931 0.619 1.00 15.00 C ATOM 566 O LEU A 463 -2.449 9.516 -0.433 1.00 15.00 O ATOM 567 CB LEU A 463 -1.615 6.676 0.819 1.00 15.00 C ATOM 568 CG LEU A 463 -1.371 6.528 -0.687 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.024 7.118 -1.073 1.00 15.00 C ATOM 570 CD2 LEU A 463 -1.450 5.063 -1.093 1.00 15.00 C ATOM 0 H LEU A 463 -2.418 7.271 3.103 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.676 8.570 1.184 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.834 6.132 1.349 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.561 6.194 1.063 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.148 7.078 -1.219 1.00 15.00 H new ATOM 0 HD11 LEU A 463 0.130 7.003 -2.146 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.003 8.177 -0.815 1.00 15.00 H new ATOM 0 HD13 LEU A 463 0.769 6.598 -0.535 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.275 4.973 -2.165 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -0.693 4.494 -0.552 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.439 4.672 -0.853 1.00 15.00 H new ATOM 582 N LYS A 464 -3.920 8.946 1.175 1.00 15.00 N ATOM 583 CA LYS A 464 -5.027 9.679 0.583 1.00 15.00 C ATOM 584 C LYS A 464 -5.500 10.794 1.521 1.00 15.00 C ATOM 585 O LYS A 464 -6.502 10.599 2.247 1.00 15.00 O ATOM 586 CB LYS A 464 -6.181 8.727 0.242 1.00 15.00 C ATOM 587 CG LYS A 464 -6.621 7.842 1.400 1.00 15.00 C ATOM 588 CD LYS A 464 -7.958 7.181 1.115 1.00 15.00 C ATOM 589 CE LYS A 464 -9.048 8.220 0.899 1.00 15.00 C ATOM 590 NZ LYS A 464 -9.163 9.149 2.054 1.00 15.00 N ATOM 591 OXT LYS A 464 -4.856 11.865 1.532 1.00 15.00 O ATOM 0 H LYS A 464 -4.154 8.456 2.038 1.00 15.00 H new ATOM 0 HA LYS A 464 -4.680 10.139 -0.342 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -7.034 9.315 -0.096 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -5.880 8.093 -0.592 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -5.867 7.077 1.582 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -6.695 8.439 2.309 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -7.874 6.549 0.231 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -8.230 6.531 1.947 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -8.833 8.789 -0.005 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -10.002 7.718 0.740 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -10.028 9.719 1.957 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -9.207 8.601 2.937 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -8.335 9.778 2.077 1.00 15.00 H new