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 461 GLN : amide:sc= 0.881 K(o=2.3,f=-9.3!) USER MOD Set 1.2: A 464 LYS NZ :NH3+ -173:sc= 1.45 (180deg=-0.0115) USER MOD Set 2.1: A 449 ASN : amide:sc= 0.899 K(o=2,f=-11!) USER MOD Set 2.2: A 452 THR OG1 : rot 146:sc= 1.08 USER MOD Set 3.1: A 439 LYS NZ :NH3+ -163:sc= -2.03! (180deg=-4.54!) USER MOD Set 3.2: A 445 THR OG1 : rot 150:sc= 0.869 USER MOD Set 4.1: A 436 THR OG1 : rot -140:sc= 0.589 USER MOD Set 4.2: A 450 ASN : amide:sc= 0.413 K(o=1,f=0.21) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 162:sc= 1.91 USER MOD Single : A 444 LYS NZ :NH3+ -162:sc= -0.0693 (180deg=-0.334) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ -175:sc= 0.9 (180deg=0.839) USER MOD ----------------------------------------------------------------- ATOM 86 N TRP A 435 5.076 3.347 0.102 1.00 15.00 N ATOM 87 CA TRP A 435 3.921 2.537 -0.233 1.00 15.00 C ATOM 88 C TRP A 435 3.912 2.197 -1.711 1.00 15.00 C ATOM 89 O TRP A 435 3.745 3.064 -2.566 1.00 15.00 O ATOM 90 CB TRP A 435 2.628 3.244 0.168 1.00 15.00 C ATOM 91 CG TRP A 435 2.453 3.341 1.654 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.865 4.358 2.469 1.00 15.00 C ATOM 93 CD2 TRP A 435 1.837 2.368 2.503 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.521 4.084 3.770 1.00 15.00 N ATOM 95 CE2 TRP A 435 1.890 2.867 3.817 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.237 1.123 2.279 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.366 2.168 4.901 1.00 15.00 C ATOM 98 CZ3 TRP A 435 0.720 0.429 3.356 1.00 15.00 C ATOM 99 CH2 TRP A 435 0.786 0.955 4.654 1.00 15.00 C ATOM 0 HA TRP A 435 3.986 1.605 0.329 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.620 4.246 -0.260 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.780 2.709 -0.259 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.384 5.246 2.139 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.705 4.688 4.571 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.179 0.712 1.282 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.416 2.570 5.902 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.258 -0.534 3.196 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.370 0.390 5.475 1.00 15.00 H new ATOM 110 N THR A 436 4.129 0.929 -2.003 1.00 15.00 N ATOM 111 CA THR A 436 4.135 0.449 -3.369 1.00 15.00 C ATOM 112 C THR A 436 2.892 -0.390 -3.635 1.00 15.00 C ATOM 113 O THR A 436 2.574 -1.304 -2.872 1.00 15.00 O ATOM 114 CB THR A 436 5.405 -0.380 -3.645 1.00 15.00 C ATOM 115 OG1 THR A 436 6.565 0.420 -3.366 1.00 15.00 O ATOM 116 CG2 THR A 436 5.448 -0.863 -5.089 1.00 15.00 C ATOM 0 H THR A 436 4.305 0.207 -1.304 1.00 15.00 H new ATOM 0 HA THR A 436 4.131 1.309 -4.039 1.00 15.00 H new ATOM 0 HB THR A 436 5.392 -1.257 -2.997 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.250 0.251 -4.046 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.356 -1.444 -5.251 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.577 -1.486 -5.290 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.442 -0.004 -5.760 1.00 15.00 H new ATOM 124 N GLU A 437 2.180 -0.067 -4.703 1.00 15.00 N ATOM 125 CA GLU A 437 0.982 -0.805 -5.054 1.00 15.00 C ATOM 126 C GLU A 437 1.349 -1.962 -5.967 1.00 15.00 C ATOM 127 O GLU A 437 2.227 -1.835 -6.823 1.00 15.00 O ATOM 128 CB GLU A 437 -0.049 0.121 -5.726 1.00 15.00 C ATOM 129 CG GLU A 437 0.301 0.560 -7.147 1.00 15.00 C ATOM 130 CD GLU A 437 -0.390 -0.275 -8.217 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.569 0.002 -8.527 1.00 15.00 O ATOM 132 OE2 GLU A 437 0.240 -1.199 -8.769 1.00 15.00 O ATOM 0 H GLU A 437 2.411 0.698 -5.337 1.00 15.00 H new ATOM 0 HA GLU A 437 0.528 -1.202 -4.146 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.012 -0.389 -5.747 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.172 1.010 -5.108 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.024 1.606 -7.276 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.380 0.496 -7.285 1.00 15.00 H new ATOM 139 N TYR A 438 0.710 -3.095 -5.756 1.00 15.00 N ATOM 140 CA TYR A 438 0.878 -4.229 -6.637 1.00 15.00 C ATOM 141 C TYR A 438 -0.462 -4.643 -7.215 1.00 15.00 C ATOM 142 O TYR A 438 -1.359 -5.088 -6.492 1.00 15.00 O ATOM 143 CB TYR A 438 1.549 -5.397 -5.913 1.00 15.00 C ATOM 144 CG TYR A 438 3.014 -5.158 -5.615 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.965 -5.255 -6.623 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.446 -4.835 -4.334 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.304 -5.035 -6.365 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.785 -4.613 -4.069 1.00 15.00 C ATOM 149 CZ TYR A 438 5.709 -4.715 -5.087 1.00 15.00 C ATOM 150 OH TYR A 438 7.044 -4.492 -4.830 1.00 15.00 O ATOM 0 H TYR A 438 0.068 -3.253 -4.979 1.00 15.00 H new ATOM 0 HA TYR A 438 1.533 -3.934 -7.457 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.022 -5.586 -4.978 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.452 -6.296 -6.521 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.652 -5.507 -7.626 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.725 -4.756 -3.534 1.00 15.00 H new ATOM 0 HE1 TYR A 438 6.030 -5.113 -7.161 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.105 -4.361 -3.069 1.00 15.00 H new ATOM 0 HH TYR A 438 7.163 -4.276 -3.881 1.00 15.00 H new ATOM 160 N LYS A 439 -0.595 -4.454 -8.517 1.00 15.00 N ATOM 161 CA LYS A 439 -1.816 -4.777 -9.229 1.00 15.00 C ATOM 162 C LYS A 439 -1.777 -6.217 -9.730 1.00 15.00 C ATOM 163 O LYS A 439 -0.936 -6.574 -10.561 1.00 15.00 O ATOM 164 CB LYS A 439 -1.991 -3.814 -10.409 1.00 15.00 C ATOM 165 CG LYS A 439 -3.267 -4.025 -11.212 1.00 15.00 C ATOM 166 CD LYS A 439 -4.513 -3.559 -10.464 1.00 15.00 C ATOM 167 CE LYS A 439 -4.586 -2.037 -10.345 1.00 15.00 C ATOM 168 NZ LYS A 439 -3.718 -1.504 -9.258 1.00 15.00 N ATOM 0 H LYS A 439 0.142 -4.072 -9.109 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.661 -4.672 -8.548 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -1.979 -2.791 -10.032 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.135 -3.918 -11.076 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.191 -3.486 -12.156 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.368 -5.083 -11.456 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.401 -3.923 -10.981 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.521 -3.999 -9.467 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.291 -1.588 -11.293 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.618 -1.740 -10.159 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -4.009 -0.533 -9.026 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -3.810 -2.105 -8.414 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -2.727 -1.502 -9.574 1.00 15.00 H new ATOM 182 N THR A 440 -2.667 -7.043 -9.206 1.00 15.00 N ATOM 183 CA THR A 440 -2.767 -8.429 -9.629 1.00 15.00 C ATOM 184 C THR A 440 -3.818 -8.575 -10.722 1.00 15.00 C ATOM 185 O THR A 440 -4.772 -7.795 -10.780 1.00 15.00 O ATOM 186 CB THR A 440 -3.130 -9.348 -8.449 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.407 -8.977 -7.921 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.082 -9.262 -7.351 1.00 15.00 C ATOM 0 H THR A 440 -3.334 -6.775 -8.483 1.00 15.00 H new ATOM 0 HA THR A 440 -1.792 -8.726 -10.016 1.00 15.00 H new ATOM 0 HB THR A 440 -3.167 -10.374 -8.814 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.766 -9.714 -7.384 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.362 -9.921 -6.529 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.114 -9.568 -7.747 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.018 -8.236 -6.989 1.00 15.00 H new ATOM 196 N ALA A 441 -3.626 -9.550 -11.602 1.00 15.00 N ATOM 197 CA ALA A 441 -4.593 -9.842 -12.657 1.00 15.00 C ATOM 198 C ALA A 441 -5.958 -10.195 -12.072 1.00 15.00 C ATOM 199 O ALA A 441 -6.995 -9.948 -12.691 1.00 15.00 O ATOM 200 CB ALA A 441 -4.091 -10.975 -13.538 1.00 15.00 C ATOM 0 H ALA A 441 -2.805 -10.156 -11.607 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.706 -8.945 -13.265 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.823 -11.180 -14.319 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -3.144 -10.688 -13.995 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.946 -11.870 -12.933 1.00 15.00 H new ATOM 206 N ASP A 442 -5.949 -10.774 -10.873 1.00 15.00 N ATOM 207 CA ASP A 442 -7.185 -11.136 -10.180 1.00 15.00 C ATOM 208 C ASP A 442 -7.880 -9.904 -9.592 1.00 15.00 C ATOM 209 O ASP A 442 -8.933 -10.015 -8.962 1.00 15.00 O ATOM 210 CB ASP A 442 -6.906 -12.178 -9.087 1.00 15.00 C ATOM 211 CG ASP A 442 -5.720 -11.820 -8.215 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.899 -11.101 -7.213 1.00 15.00 O ATOM 213 OD2 ASP A 442 -4.597 -12.264 -8.530 1.00 15.00 O ATOM 0 H ASP A 442 -5.098 -11.003 -10.360 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.861 -11.576 -10.913 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.791 -12.285 -8.460 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.727 -13.147 -9.554 1.00 15.00 H new ATOM 218 N GLY A 443 -7.287 -8.733 -9.802 1.00 15.00 N ATOM 219 CA GLY A 443 -7.951 -7.485 -9.467 1.00 15.00 C ATOM 220 C GLY A 443 -7.825 -7.105 -8.006 1.00 15.00 C ATOM 221 O GLY A 443 -8.709 -6.453 -7.452 1.00 15.00 O ATOM 0 H GLY A 443 -6.354 -8.625 -10.200 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.534 -6.685 -10.079 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.007 -7.565 -9.723 1.00 15.00 H new ATOM 225 N LYS A 444 -6.732 -7.502 -7.378 1.00 15.00 N ATOM 226 CA LYS A 444 -6.493 -7.153 -5.989 1.00 15.00 C ATOM 227 C LYS A 444 -5.226 -6.326 -5.850 1.00 15.00 C ATOM 228 O LYS A 444 -4.116 -6.828 -6.006 1.00 15.00 O ATOM 229 CB LYS A 444 -6.412 -8.408 -5.119 1.00 15.00 C ATOM 230 CG LYS A 444 -7.754 -9.085 -4.921 1.00 15.00 C ATOM 231 CD LYS A 444 -7.625 -10.357 -4.103 1.00 15.00 C ATOM 232 CE LYS A 444 -8.987 -10.881 -3.684 1.00 15.00 C ATOM 233 NZ LYS A 444 -9.659 -9.968 -2.720 1.00 15.00 N ATOM 0 H LYS A 444 -5.998 -8.065 -7.807 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.334 -6.551 -5.644 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.720 -9.115 -5.576 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -6.000 -8.142 -4.146 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.438 -8.399 -4.421 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -8.190 -9.319 -5.892 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -7.104 -11.116 -4.686 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -7.019 -10.163 -3.218 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -9.616 -11.005 -4.566 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -8.874 -11.867 -3.232 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -10.420 -10.480 -2.229 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -8.966 -9.627 -2.023 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -10.062 -9.158 -3.232 1.00 15.00 H new ATOM 247 N THR A 445 -5.403 -5.043 -5.593 1.00 15.00 N ATOM 248 CA THR A 445 -4.279 -4.153 -5.396 1.00 15.00 C ATOM 249 C THR A 445 -3.923 -4.069 -3.921 1.00 15.00 C ATOM 250 O THR A 445 -4.628 -3.434 -3.137 1.00 15.00 O ATOM 251 CB THR A 445 -4.583 -2.742 -5.929 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.010 -2.826 -7.295 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.355 -1.848 -5.829 1.00 15.00 C ATOM 0 H THR A 445 -6.316 -4.596 -5.516 1.00 15.00 H new ATOM 0 HA THR A 445 -3.435 -4.561 -5.953 1.00 15.00 H new ATOM 0 HB THR A 445 -5.376 -2.306 -5.322 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.630 -2.093 -7.490 1.00 15.00 H new ATOM 0 HG21 THR A 445 -3.595 -0.856 -6.212 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.046 -1.770 -4.787 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.544 -2.277 -6.417 1.00 15.00 H new ATOM 261 N TYR A 446 -2.844 -4.731 -3.539 1.00 15.00 N ATOM 262 CA TYR A 446 -2.380 -4.657 -2.168 1.00 15.00 C ATOM 263 C TYR A 446 -1.222 -3.676 -2.076 1.00 15.00 C ATOM 264 O TYR A 446 -0.320 -3.674 -2.918 1.00 15.00 O ATOM 265 CB TYR A 446 -1.988 -6.042 -1.624 1.00 15.00 C ATOM 266 CG TYR A 446 -0.816 -6.708 -2.315 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.991 -7.432 -3.489 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.466 -6.625 -1.781 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.076 -8.056 -4.108 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.536 -7.244 -2.396 1.00 15.00 C ATOM 271 CZ TYR A 446 1.337 -7.956 -3.557 1.00 15.00 C ATOM 272 OH TYR A 446 2.403 -8.573 -4.170 1.00 15.00 O ATOM 0 H TYR A 446 -2.280 -5.319 -4.152 1.00 15.00 H new ATOM 0 HA TYR A 446 -3.198 -4.298 -1.543 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.754 -5.943 -0.564 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.853 -6.701 -1.699 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.976 -7.508 -3.924 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.627 -6.067 -0.870 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.077 -8.618 -5.017 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.525 -7.170 -1.968 1.00 15.00 H new ATOM 0 HH TYR A 446 3.219 -8.404 -3.655 1.00 15.00 H new ATOM 282 N TYR A 447 -1.263 -2.840 -1.057 1.00 15.00 N ATOM 283 CA TYR A 447 -0.271 -1.799 -0.879 1.00 15.00 C ATOM 284 C TYR A 447 0.778 -2.251 0.123 1.00 15.00 C ATOM 285 O TYR A 447 0.480 -2.495 1.293 1.00 15.00 O ATOM 286 CB TYR A 447 -0.940 -0.505 -0.415 1.00 15.00 C ATOM 287 CG TYR A 447 -2.075 -0.069 -1.313 1.00 15.00 C ATOM 288 CD1 TYR A 447 -1.835 0.663 -2.470 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.389 -0.398 -1.008 1.00 15.00 C ATOM 290 CE1 TYR A 447 -2.872 1.053 -3.296 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.431 -0.011 -1.827 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.168 0.714 -2.969 1.00 15.00 C ATOM 293 OH TYR A 447 -5.206 1.100 -3.787 1.00 15.00 O ATOM 0 H TYR A 447 -1.981 -2.863 -0.333 1.00 15.00 H new ATOM 0 HA TYR A 447 0.219 -1.606 -1.833 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.318 -0.642 0.598 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.193 0.288 -0.372 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -0.821 0.931 -2.728 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.600 -0.967 -0.114 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -2.669 1.620 -4.192 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.447 -0.275 -1.574 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.053 0.780 -3.413 1.00 15.00 H new ATOM 303 N TYR A 448 2.002 -2.380 -0.353 1.00 15.00 N ATOM 304 CA TYR A 448 3.091 -2.874 0.466 1.00 15.00 C ATOM 305 C TYR A 448 3.933 -1.714 0.977 1.00 15.00 C ATOM 306 O TYR A 448 4.412 -0.891 0.191 1.00 15.00 O ATOM 307 CB TYR A 448 3.954 -3.837 -0.355 1.00 15.00 C ATOM 308 CG TYR A 448 4.945 -4.636 0.464 1.00 15.00 C ATOM 309 CD1 TYR A 448 4.515 -5.640 1.320 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.310 -4.400 0.366 1.00 15.00 C ATOM 311 CE1 TYR A 448 5.415 -6.385 2.058 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.217 -5.140 1.103 1.00 15.00 C ATOM 313 CZ TYR A 448 6.764 -6.131 1.945 1.00 15.00 C ATOM 314 OH TYR A 448 7.661 -6.881 2.672 1.00 15.00 O ATOM 0 H TYR A 448 2.267 -2.147 -1.310 1.00 15.00 H new ATOM 0 HA TYR A 448 2.681 -3.406 1.324 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.301 -4.527 -0.888 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.498 -3.267 -1.108 1.00 15.00 H new ATOM 0 HD1 TYR A 448 3.458 -5.843 1.411 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.669 -3.626 -0.296 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.062 -7.162 2.720 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.275 -4.942 1.018 1.00 15.00 H new ATOM 0 HH TYR A 448 8.573 -6.578 2.479 1.00 15.00 H new ATOM 324 N ASN A 449 4.108 -1.648 2.286 1.00 15.00 N ATOM 325 CA ASN A 449 4.945 -0.622 2.887 1.00 15.00 C ATOM 326 C ASN A 449 6.373 -1.135 2.980 1.00 15.00 C ATOM 327 O ASN A 449 6.659 -2.073 3.722 1.00 15.00 O ATOM 328 CB ASN A 449 4.426 -0.228 4.279 1.00 15.00 C ATOM 329 CG ASN A 449 5.193 0.933 4.904 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.396 1.096 4.695 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.501 1.751 5.676 1.00 15.00 N ATOM 0 H ASN A 449 3.682 -2.292 2.953 1.00 15.00 H new ATOM 0 HA ASN A 449 4.915 0.269 2.260 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.372 0.041 4.203 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.488 -1.093 4.940 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.962 2.546 6.119 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.506 1.588 5.829 1.00 15.00 H new ATOM 338 N ASN A 450 7.263 -0.510 2.222 1.00 15.00 N ATOM 339 CA ASN A 450 8.647 -0.969 2.108 1.00 15.00 C ATOM 340 C ASN A 450 9.470 -0.565 3.324 1.00 15.00 C ATOM 341 O ASN A 450 10.568 -1.072 3.538 1.00 15.00 O ATOM 342 CB ASN A 450 9.297 -0.391 0.848 1.00 15.00 C ATOM 343 CG ASN A 450 8.570 -0.773 -0.424 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.008 -1.862 -0.537 1.00 15.00 O ATOM 345 ND2 ASN A 450 8.582 0.125 -1.396 1.00 15.00 N ATOM 0 H ASN A 450 7.052 0.323 1.672 1.00 15.00 H new ATOM 0 HA ASN A 450 8.626 -2.057 2.047 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.329 0.696 0.929 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.329 -0.737 0.787 1.00 15.00 H new ATOM 0 HD21 ASN A 450 8.113 -0.074 -2.280 1.00 15.00 H new ATOM 0 HD22 ASN A 450 9.060 1.016 -1.261 1.00 15.00 H new ATOM 352 N ARG A 451 8.941 0.356 4.113 1.00 15.00 N ATOM 353 CA ARG A 451 9.676 0.895 5.248 1.00 15.00 C ATOM 354 C ARG A 451 9.445 0.041 6.488 1.00 15.00 C ATOM 355 O ARG A 451 10.339 -0.123 7.318 1.00 15.00 O ATOM 356 CB ARG A 451 9.257 2.346 5.510 1.00 15.00 C ATOM 357 CG ARG A 451 10.154 3.091 6.487 1.00 15.00 C ATOM 358 CD ARG A 451 9.735 4.547 6.627 1.00 15.00 C ATOM 359 NE ARG A 451 9.792 5.261 5.351 1.00 15.00 N ATOM 360 CZ ARG A 451 10.169 6.532 5.221 1.00 15.00 C ATOM 361 NH1 ARG A 451 10.531 7.234 6.288 1.00 15.00 N ATOM 362 NH2 ARG A 451 10.187 7.100 4.021 1.00 15.00 N ATOM 0 H ARG A 451 8.007 0.746 3.990 1.00 15.00 H new ATOM 0 HA ARG A 451 10.740 0.877 5.013 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.245 2.885 4.563 1.00 15.00 H new ATOM 0 HB3 ARG A 451 8.237 2.353 5.894 1.00 15.00 H new ATOM 0 HG2 ARG A 451 10.116 2.605 7.462 1.00 15.00 H new ATOM 0 HG3 ARG A 451 11.188 3.040 6.146 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.721 4.595 7.024 1.00 15.00 H new ATOM 0 HD3 ARG A 451 10.384 5.043 7.349 1.00 15.00 H new ATOM 0 HE ARG A 451 9.526 4.753 4.507 1.00 15.00 H new ATOM 0 HH11 ARG A 451 10.521 6.800 7.211 1.00 15.00 H new ATOM 0 HH12 ARG A 451 10.819 8.207 6.185 1.00 15.00 H new ATOM 0 HH21 ARG A 451 9.912 6.563 3.198 1.00 15.00 H new ATOM 0 HH22 ARG A 451 10.476 8.073 3.922 1.00 15.00 H new ATOM 376 N THR A 452 8.241 -0.493 6.618 1.00 15.00 N ATOM 377 CA THR A 452 7.909 -1.327 7.762 1.00 15.00 C ATOM 378 C THR A 452 7.688 -2.779 7.346 1.00 15.00 C ATOM 379 O THR A 452 7.439 -3.642 8.190 1.00 15.00 O ATOM 380 CB THR A 452 6.659 -0.801 8.490 1.00 15.00 C ATOM 381 OG1 THR A 452 5.552 -0.731 7.583 1.00 15.00 O ATOM 382 CG2 THR A 452 6.917 0.575 9.089 1.00 15.00 C ATOM 0 H THR A 452 7.481 -0.365 5.950 1.00 15.00 H new ATOM 0 HA THR A 452 8.758 -1.285 8.445 1.00 15.00 H new ATOM 0 HB THR A 452 6.422 -1.493 9.298 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.723 -0.941 8.062 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.019 0.925 9.598 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.738 0.513 9.804 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.180 1.274 8.295 1.00 15.00 H new ATOM 390 N LEU A 453 7.783 -3.032 6.036 1.00 15.00 N ATOM 391 CA LEU A 453 7.641 -4.379 5.473 1.00 15.00 C ATOM 392 C LEU A 453 6.235 -4.930 5.710 1.00 15.00 C ATOM 393 O LEU A 453 6.025 -6.145 5.722 1.00 15.00 O ATOM 394 CB LEU A 453 8.696 -5.320 6.072 1.00 15.00 C ATOM 395 CG LEU A 453 10.149 -4.909 5.822 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.101 -5.900 6.471 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.424 -4.798 4.329 1.00 15.00 C ATOM 0 H LEU A 453 7.960 -2.310 5.337 1.00 15.00 H new ATOM 0 HA LEU A 453 7.798 -4.315 4.396 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.533 -5.385 7.148 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.542 -6.319 5.665 1.00 15.00 H new ATOM 0 HG LEU A 453 10.313 -3.930 6.273 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.130 -5.593 6.283 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.921 -5.927 7.546 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.936 -6.892 6.050 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.462 -4.505 4.171 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.243 -5.762 3.853 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.765 -4.048 3.892 1.00 15.00 H new ATOM 409 N GLU A 454 5.268 -4.028 5.834 1.00 15.00 N ATOM 410 CA GLU A 454 3.894 -4.412 6.139 1.00 15.00 C ATOM 411 C GLU A 454 3.035 -4.420 4.877 1.00 15.00 C ATOM 412 O GLU A 454 2.999 -3.443 4.130 1.00 15.00 O ATOM 413 CB GLU A 454 3.297 -3.458 7.175 1.00 15.00 C ATOM 414 CG GLU A 454 3.985 -3.525 8.529 1.00 15.00 C ATOM 415 CD GLU A 454 3.385 -2.566 9.538 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.805 -1.389 9.571 1.00 15.00 O ATOM 417 OE2 GLU A 454 2.499 -2.989 10.308 1.00 15.00 O ATOM 0 H GLU A 454 5.410 -3.024 5.728 1.00 15.00 H new ATOM 0 HA GLU A 454 3.907 -5.422 6.549 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.358 -2.438 6.796 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.239 -3.688 7.302 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.918 -4.542 8.916 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.044 -3.300 8.405 1.00 15.00 H new ATOM 424 N SER A 455 2.336 -5.525 4.657 1.00 15.00 N ATOM 425 CA SER A 455 1.464 -5.676 3.501 1.00 15.00 C ATOM 426 C SER A 455 0.017 -5.375 3.889 1.00 15.00 C ATOM 427 O SER A 455 -0.553 -6.035 4.761 1.00 15.00 O ATOM 428 CB SER A 455 1.581 -7.103 2.954 1.00 15.00 C ATOM 429 OG SER A 455 0.918 -7.240 1.710 1.00 15.00 O ATOM 0 H SER A 455 2.357 -6.338 5.272 1.00 15.00 H new ATOM 0 HA SER A 455 1.768 -4.971 2.728 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.633 -7.363 2.837 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.157 -7.805 3.672 1.00 15.00 H new ATOM 0 HG SER A 455 1.013 -8.161 1.388 1.00 15.00 H new ATOM 435 N TYR A 456 -0.568 -4.371 3.250 1.00 15.00 N ATOM 436 CA TYR A 456 -1.939 -3.964 3.538 1.00 15.00 C ATOM 437 C TYR A 456 -2.845 -4.201 2.336 1.00 15.00 C ATOM 438 O TYR A 456 -2.579 -3.711 1.244 1.00 15.00 O ATOM 439 CB TYR A 456 -1.978 -2.486 3.932 1.00 15.00 C ATOM 440 CG TYR A 456 -1.620 -2.232 5.377 1.00 15.00 C ATOM 441 CD1 TYR A 456 -0.306 -2.015 5.763 1.00 15.00 C ATOM 442 CD2 TYR A 456 -2.606 -2.213 6.356 1.00 15.00 C ATOM 443 CE1 TYR A 456 0.019 -1.788 7.085 1.00 15.00 C ATOM 444 CE2 TYR A 456 -2.288 -1.988 7.680 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.974 -1.772 8.039 1.00 15.00 C ATOM 446 OH TYR A 456 -0.651 -1.552 9.360 1.00 15.00 O ATOM 0 H TYR A 456 -0.112 -3.819 2.524 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.303 -4.569 4.368 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.290 -1.931 3.294 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -2.977 -2.095 3.740 1.00 15.00 H new ATOM 0 HD1 TYR A 456 0.475 -2.024 5.017 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -3.636 -2.377 6.077 1.00 15.00 H new ATOM 0 HE1 TYR A 456 1.048 -1.624 7.370 1.00 15.00 H new ATOM 0 HE2 TYR A 456 -3.064 -1.981 8.431 1.00 15.00 H new ATOM 0 HH TYR A 456 -1.466 -1.571 9.904 1.00 15.00 H new ATOM 456 N TRP A 457 -3.930 -4.933 2.550 1.00 15.00 N ATOM 457 CA TRP A 457 -4.873 -5.230 1.478 1.00 15.00 C ATOM 458 C TRP A 457 -5.898 -4.111 1.349 1.00 15.00 C ATOM 459 O TRP A 457 -6.763 -4.136 0.472 1.00 15.00 O ATOM 460 CB TRP A 457 -5.568 -6.570 1.733 1.00 15.00 C ATOM 461 CG TRP A 457 -4.617 -7.728 1.774 1.00 15.00 C ATOM 462 CD1 TRP A 457 -3.943 -8.196 2.864 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.226 -8.557 0.674 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.155 -9.262 2.508 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.314 -9.506 1.169 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.565 -8.590 -0.684 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -2.733 -10.475 0.356 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -3.986 -9.553 -1.490 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.080 -10.486 -0.967 1.00 15.00 C ATOM 0 H TRP A 457 -4.180 -5.332 3.455 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.322 -5.302 0.540 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.108 -6.518 2.678 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.308 -6.743 0.952 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.018 -7.788 3.861 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.549 -9.788 3.138 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.265 -7.877 -1.094 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.033 -11.193 0.756 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.236 -9.587 -2.540 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.647 -11.228 -1.622 1.00 15.00 H new ATOM 480 N GLU A 458 -5.792 -3.128 2.230 1.00 15.00 N ATOM 481 CA GLU A 458 -6.664 -1.970 2.192 1.00 15.00 C ATOM 482 C GLU A 458 -5.825 -0.699 2.158 1.00 15.00 C ATOM 483 O GLU A 458 -4.722 -0.662 2.706 1.00 15.00 O ATOM 484 CB GLU A 458 -7.603 -1.960 3.402 1.00 15.00 C ATOM 485 CG GLU A 458 -9.068 -1.767 3.028 1.00 15.00 C ATOM 486 CD GLU A 458 -9.341 -0.452 2.317 1.00 15.00 C ATOM 487 OE1 GLU A 458 -8.968 -0.317 1.132 1.00 15.00 O ATOM 488 OE2 GLU A 458 -9.941 0.448 2.935 1.00 15.00 O ATOM 0 H GLU A 458 -5.105 -3.112 2.984 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.276 -2.018 1.291 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.495 -2.899 3.945 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.301 -1.163 4.081 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -9.383 -2.590 2.387 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -9.676 -1.816 3.932 1.00 15.00 H new ATOM 495 N LYS A 459 -6.366 0.331 1.528 1.00 15.00 N ATOM 496 CA LYS A 459 -5.672 1.597 1.355 1.00 15.00 C ATOM 497 C LYS A 459 -5.316 2.221 2.699 1.00 15.00 C ATOM 498 O LYS A 459 -6.181 2.407 3.557 1.00 15.00 O ATOM 499 CB LYS A 459 -6.551 2.561 0.565 1.00 15.00 C ATOM 500 CG LYS A 459 -7.029 2.003 -0.765 1.00 15.00 C ATOM 501 CD LYS A 459 -8.019 2.935 -1.437 1.00 15.00 C ATOM 502 CE LYS A 459 -9.214 3.216 -0.542 1.00 15.00 C ATOM 503 NZ LYS A 459 -9.962 1.974 -0.193 1.00 15.00 N ATOM 0 H LYS A 459 -7.301 0.313 1.121 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.748 1.404 0.811 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.418 2.827 1.170 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.995 3.481 0.384 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -6.174 1.844 -1.422 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.494 1.030 -0.606 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.524 3.873 -1.690 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.360 2.492 -2.373 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -8.874 3.702 0.372 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.885 3.913 -1.043 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.815 2.223 0.347 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -10.237 1.478 -1.065 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.357 1.354 0.382 1.00 15.00 H new ATOM 517 N PRO A 460 -4.035 2.548 2.896 1.00 15.00 N ATOM 518 CA PRO A 460 -3.565 3.213 4.109 1.00 15.00 C ATOM 519 C PRO A 460 -3.922 4.695 4.122 1.00 15.00 C ATOM 520 O PRO A 460 -3.934 5.356 3.080 1.00 15.00 O ATOM 521 CB PRO A 460 -2.050 3.036 4.031 1.00 15.00 C ATOM 522 CG PRO A 460 -1.758 2.970 2.574 1.00 15.00 C ATOM 523 CD PRO A 460 -2.938 2.285 1.946 1.00 15.00 C ATOM 0 HA PRO A 460 -4.016 2.799 5.011 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.528 3.868 4.503 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.730 2.128 4.542 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.619 3.968 2.158 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.839 2.415 2.385 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.157 2.689 0.958 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.762 1.216 1.822 1.00 15.00 H new ATOM 531 N GLN A 461 -4.177 5.220 5.314 1.00 15.00 N ATOM 532 CA GLN A 461 -4.507 6.631 5.480 1.00 15.00 C ATOM 533 C GLN A 461 -3.313 7.517 5.103 1.00 15.00 C ATOM 534 O GLN A 461 -3.455 8.725 4.905 1.00 15.00 O ATOM 535 CB GLN A 461 -4.937 6.903 6.925 1.00 15.00 C ATOM 536 CG GLN A 461 -5.626 8.244 7.115 1.00 15.00 C ATOM 537 CD GLN A 461 -6.900 8.354 6.303 1.00 15.00 C ATOM 538 OE1 GLN A 461 -6.885 8.805 5.157 1.00 15.00 O ATOM 539 NE2 GLN A 461 -8.008 7.935 6.886 1.00 15.00 N ATOM 0 H GLN A 461 -4.162 4.688 6.184 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.334 6.874 4.813 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -5.610 6.109 7.250 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -4.059 6.861 7.570 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.857 8.385 8.171 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -4.944 9.045 6.828 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.976 7.568 7.837 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.896 7.978 6.385 1.00 15.00 H new ATOM 548 N GLU A 462 -2.137 6.902 5.007 1.00 15.00 N ATOM 549 CA GLU A 462 -0.921 7.602 4.604 1.00 15.00 C ATOM 550 C GLU A 462 -0.931 7.888 3.104 1.00 15.00 C ATOM 551 O GLU A 462 -0.208 8.760 2.619 1.00 15.00 O ATOM 552 CB GLU A 462 0.310 6.760 4.951 1.00 15.00 C ATOM 553 CG GLU A 462 0.489 6.503 6.438 1.00 15.00 C ATOM 554 CD GLU A 462 1.559 5.467 6.725 1.00 15.00 C ATOM 555 OE1 GLU A 462 2.642 5.534 6.106 1.00 15.00 O ATOM 556 OE2 GLU A 462 1.318 4.582 7.575 1.00 15.00 O ATOM 0 H GLU A 462 -2.001 5.911 5.205 1.00 15.00 H new ATOM 0 HA GLU A 462 -0.881 8.549 5.143 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.239 5.803 4.434 1.00 15.00 H new ATOM 0 HB3 GLU A 462 1.199 7.263 4.571 1.00 15.00 H new ATOM 0 HG2 GLU A 462 0.750 7.437 6.936 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -0.458 6.169 6.862 1.00 15.00 H new ATOM 563 N LEU A 463 -1.748 7.139 2.379 1.00 15.00 N ATOM 564 CA LEU A 463 -1.789 7.224 0.925 1.00 15.00 C ATOM 565 C LEU A 463 -2.667 8.387 0.471 1.00 15.00 C ATOM 566 O LEU A 463 -2.450 8.967 -0.592 1.00 15.00 O ATOM 567 CB LEU A 463 -2.301 5.905 0.340 1.00 15.00 C ATOM 568 CG LEU A 463 -2.295 5.807 -1.185 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.872 5.867 -1.724 1.00 15.00 C ATOM 570 CD2 LEU A 463 -2.990 4.530 -1.637 1.00 15.00 C ATOM 0 H LEU A 463 -2.397 6.460 2.777 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.778 7.405 0.560 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.695 5.092 0.740 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -3.320 5.745 0.692 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.844 6.659 -1.587 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.892 5.796 -2.811 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.411 6.810 -1.431 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.293 5.038 -1.316 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.978 4.475 -2.726 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.469 3.666 -1.224 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.022 4.533 -1.286 1.00 15.00 H new ATOM 582 N LYS A 464 -3.670 8.703 1.273 1.00 15.00 N ATOM 583 CA LYS A 464 -4.620 9.745 0.928 1.00 15.00 C ATOM 584 C LYS A 464 -4.246 11.052 1.619 1.00 15.00 C ATOM 585 O LYS A 464 -3.310 11.734 1.150 1.00 15.00 O ATOM 586 CB LYS A 464 -6.032 9.326 1.339 1.00 15.00 C ATOM 587 CG LYS A 464 -7.125 10.200 0.750 1.00 15.00 C ATOM 588 CD LYS A 464 -8.426 10.073 1.527 1.00 15.00 C ATOM 589 CE LYS A 464 -8.511 11.090 2.662 1.00 15.00 C ATOM 590 NZ LYS A 464 -7.393 10.965 3.635 1.00 15.00 N ATOM 591 OXT LYS A 464 -4.896 11.398 2.632 1.00 15.00 O ATOM 0 H LYS A 464 -3.847 8.251 2.170 1.00 15.00 H new ATOM 0 HA LYS A 464 -4.593 9.897 -0.151 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -6.199 8.294 1.031 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -6.106 9.350 2.426 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -6.800 11.240 0.752 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -7.293 9.921 -0.290 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -9.269 10.213 0.850 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -8.509 9.066 1.935 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -8.510 12.096 2.243 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -9.458 10.964 3.186 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -7.564 11.597 4.443 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -7.333 9.982 3.970 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -6.499 11.228 3.173 1.00 15.00 H new