USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=13 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 130:sc= -0.682 USER MOD Set 1.2: A 459 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0181) USER MOD Set 2.1: A 449 ASN : amide:sc= -0.275 K(o=-0.28,f=-13!) USER MOD Set 2.2: A 452 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 439 LYS NZ :NH3+ -171:sc= 0.526 (180deg=-1.09) USER MOD Set 3.2: A 445 THR OG1 : rot 149:sc= 0.957 USER MOD Set 4.1: A 436 THR OG1 : rot -168:sc= 0.615 USER MOD Set 4.2: A 450 ASN : amide:sc= 0.674 X(o=1.3,f=1.4) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 150:sc= 1.89 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 455 SER OG : rot 180:sc= -0.838 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 461 GLN : amide:sc= -1.01 K(o=-1,f=-0.076) USER MOD Single : A 464 LYS NZ :NH3+ -142:sc= 0.582 (180deg=-0.531) USER MOD ----------------------------------------------------------------- ATOM 86 N TRP A 435 5.416 3.269 -0.525 1.00 15.00 N ATOM 87 CA TRP A 435 4.179 2.515 -0.617 1.00 15.00 C ATOM 88 C TRP A 435 4.024 1.986 -2.036 1.00 15.00 C ATOM 89 O TRP A 435 3.715 2.740 -2.958 1.00 15.00 O ATOM 90 CB TRP A 435 2.967 3.381 -0.255 1.00 15.00 C ATOM 91 CG TRP A 435 2.812 3.650 1.211 1.00 15.00 C ATOM 92 CD1 TRP A 435 3.243 4.749 1.899 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.163 2.806 2.166 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.894 4.641 3.223 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.232 3.456 3.413 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.528 1.563 2.090 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.691 2.906 4.571 1.00 15.00 C ATOM 98 CZ3 TRP A 435 0.991 1.017 3.241 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.075 1.690 4.466 1.00 15.00 C ATOM 0 HA TRP A 435 4.224 1.689 0.092 1.00 15.00 H new ATOM 0 HB2 TRP A 435 3.047 4.333 -0.780 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.064 2.891 -0.619 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.779 5.580 1.466 1.00 15.00 H new ATOM 0 HE1 TRP A 435 3.095 5.331 3.947 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.458 1.038 1.149 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.755 3.421 5.518 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.499 0.057 3.195 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.644 1.239 5.347 1.00 15.00 H new ATOM 110 N THR A 436 4.284 0.706 -2.224 1.00 15.00 N ATOM 111 CA THR A 436 4.204 0.113 -3.543 1.00 15.00 C ATOM 112 C THR A 436 2.813 -0.463 -3.788 1.00 15.00 C ATOM 113 O THR A 436 2.355 -1.348 -3.062 1.00 15.00 O ATOM 114 CB THR A 436 5.270 -0.983 -3.730 1.00 15.00 C ATOM 115 OG1 THR A 436 6.558 -0.469 -3.355 1.00 15.00 O ATOM 116 CG2 THR A 436 5.318 -1.452 -5.177 1.00 15.00 C ATOM 0 H THR A 436 4.552 0.060 -1.482 1.00 15.00 H new ATOM 0 HA THR A 436 4.395 0.901 -4.272 1.00 15.00 H new ATOM 0 HB THR A 436 5.007 -1.831 -3.097 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.256 -1.091 -3.649 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.078 -2.226 -5.284 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.346 -1.856 -5.461 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.564 -0.610 -5.824 1.00 15.00 H new ATOM 124 N GLU A 437 2.150 0.056 -4.807 1.00 15.00 N ATOM 125 CA GLU A 437 0.805 -0.368 -5.155 1.00 15.00 C ATOM 126 C GLU A 437 0.847 -1.532 -6.147 1.00 15.00 C ATOM 127 O GLU A 437 1.284 -1.380 -7.287 1.00 15.00 O ATOM 128 CB GLU A 437 0.030 0.827 -5.726 1.00 15.00 C ATOM 129 CG GLU A 437 0.806 1.598 -6.788 1.00 15.00 C ATOM 130 CD GLU A 437 0.212 2.958 -7.097 1.00 15.00 C ATOM 131 OE1 GLU A 437 -0.793 3.024 -7.832 1.00 15.00 O ATOM 132 OE2 GLU A 437 0.765 3.976 -6.628 1.00 15.00 O ATOM 0 H GLU A 437 2.528 0.782 -5.416 1.00 15.00 H new ATOM 0 HA GLU A 437 0.292 -0.723 -4.261 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -0.906 0.472 -6.157 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.230 1.504 -4.913 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.836 1.727 -6.454 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.839 1.008 -7.704 1.00 15.00 H new ATOM 139 N TYR A 438 0.421 -2.706 -5.695 1.00 15.00 N ATOM 140 CA TYR A 438 0.456 -3.902 -6.530 1.00 15.00 C ATOM 141 C TYR A 438 -0.927 -4.256 -7.063 1.00 15.00 C ATOM 142 O TYR A 438 -1.864 -4.472 -6.295 1.00 15.00 O ATOM 143 CB TYR A 438 1.017 -5.095 -5.751 1.00 15.00 C ATOM 144 CG TYR A 438 2.512 -5.048 -5.523 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.398 -5.246 -6.576 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.036 -4.818 -4.258 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.765 -5.215 -6.373 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.401 -4.790 -4.046 1.00 15.00 C ATOM 149 CZ TYR A 438 5.262 -4.988 -5.106 1.00 15.00 C ATOM 150 OH TYR A 438 6.622 -4.965 -4.891 1.00 15.00 O ATOM 0 H TYR A 438 0.048 -2.856 -4.757 1.00 15.00 H new ATOM 0 HA TYR A 438 1.109 -3.681 -7.374 1.00 15.00 H new ATOM 0 HB2 TYR A 438 0.516 -5.150 -4.784 1.00 15.00 H new ATOM 0 HB3 TYR A 438 0.773 -6.011 -6.289 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.012 -5.427 -7.568 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.366 -4.658 -3.426 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.440 -5.368 -7.202 1.00 15.00 H new ATOM 0 HE2 TYR A 438 4.792 -4.614 -3.055 1.00 15.00 H new ATOM 0 HH TYR A 438 6.800 -4.792 -3.943 1.00 15.00 H new ATOM 160 N LYS A 439 -1.035 -4.312 -8.383 1.00 15.00 N ATOM 161 CA LYS A 439 -2.239 -4.792 -9.045 1.00 15.00 C ATOM 162 C LYS A 439 -1.949 -6.126 -9.723 1.00 15.00 C ATOM 163 O LYS A 439 -1.104 -6.204 -10.616 1.00 15.00 O ATOM 164 CB LYS A 439 -2.741 -3.771 -10.079 1.00 15.00 C ATOM 165 CG LYS A 439 -3.794 -4.317 -11.042 1.00 15.00 C ATOM 166 CD LYS A 439 -5.126 -4.616 -10.358 1.00 15.00 C ATOM 167 CE LYS A 439 -6.070 -3.417 -10.369 1.00 15.00 C ATOM 168 NZ LYS A 439 -5.597 -2.304 -9.504 1.00 15.00 N ATOM 0 H LYS A 439 -0.293 -4.027 -9.023 1.00 15.00 H new ATOM 0 HA LYS A 439 -3.020 -4.926 -8.296 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.158 -2.913 -9.552 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.891 -3.408 -10.657 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.956 -3.595 -11.842 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.417 -5.228 -11.506 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.606 -5.457 -10.857 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.942 -4.920 -9.328 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.179 -3.055 -11.391 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -7.058 -3.735 -10.036 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.342 -1.583 -9.427 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.372 -2.671 -8.557 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -4.745 -1.878 -9.921 1.00 15.00 H new ATOM 182 N THR A 440 -2.639 -7.164 -9.289 1.00 15.00 N ATOM 183 CA THR A 440 -2.457 -8.493 -9.846 1.00 15.00 C ATOM 184 C THR A 440 -3.402 -8.715 -11.022 1.00 15.00 C ATOM 185 O THR A 440 -4.473 -8.111 -11.084 1.00 15.00 O ATOM 186 CB THR A 440 -2.700 -9.580 -8.785 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.025 -9.458 -8.263 1.00 15.00 O ATOM 188 CG2 THR A 440 -1.691 -9.469 -7.650 1.00 15.00 C ATOM 0 H THR A 440 -3.336 -7.112 -8.546 1.00 15.00 H new ATOM 0 HA THR A 440 -1.426 -8.565 -10.191 1.00 15.00 H new ATOM 0 HB THR A 440 -2.580 -10.554 -9.259 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.354 -10.342 -7.995 1.00 15.00 H new ATOM 0 HG21 THR A 440 -1.885 -10.249 -6.913 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.683 -9.587 -8.047 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.782 -8.492 -7.176 1.00 15.00 H new ATOM 196 N ALA A 441 -2.981 -9.546 -11.972 1.00 15.00 N ATOM 197 CA ALA A 441 -3.793 -9.857 -13.149 1.00 15.00 C ATOM 198 C ALA A 441 -5.156 -10.423 -12.750 1.00 15.00 C ATOM 199 O ALA A 441 -6.145 -10.247 -13.457 1.00 15.00 O ATOM 200 CB ALA A 441 -3.057 -10.834 -14.055 1.00 15.00 C ATOM 0 H ALA A 441 -2.078 -10.019 -11.951 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.963 -8.929 -13.695 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -3.673 -11.056 -14.927 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.116 -10.391 -14.379 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -2.855 -11.755 -13.509 1.00 15.00 H new ATOM 206 N ASP A 442 -5.193 -11.104 -11.609 1.00 15.00 N ATOM 207 CA ASP A 442 -6.429 -11.677 -11.080 1.00 15.00 C ATOM 208 C ASP A 442 -7.327 -10.607 -10.447 1.00 15.00 C ATOM 209 O ASP A 442 -8.444 -10.899 -10.017 1.00 15.00 O ATOM 210 CB ASP A 442 -6.111 -12.780 -10.065 1.00 15.00 C ATOM 211 CG ASP A 442 -4.986 -12.397 -9.128 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.247 -11.762 -8.094 1.00 15.00 O ATOM 213 OD2 ASP A 442 -3.822 -12.729 -9.431 1.00 15.00 O ATOM 0 H ASP A 442 -4.373 -11.274 -11.027 1.00 15.00 H new ATOM 0 HA ASP A 442 -6.977 -12.111 -11.916 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.005 -13.002 -9.483 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -5.842 -13.693 -10.597 1.00 15.00 H new ATOM 218 N GLY A 443 -6.839 -9.372 -10.395 1.00 15.00 N ATOM 219 CA GLY A 443 -7.666 -8.258 -9.965 1.00 15.00 C ATOM 220 C GLY A 443 -7.621 -8.001 -8.470 1.00 15.00 C ATOM 221 O GLY A 443 -8.589 -7.505 -7.892 1.00 15.00 O ATOM 0 H GLY A 443 -5.882 -9.122 -10.644 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.346 -7.357 -10.489 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -8.698 -8.449 -10.260 1.00 15.00 H new ATOM 225 N LYS A 444 -6.501 -8.309 -7.839 1.00 15.00 N ATOM 226 CA LYS A 444 -6.329 -8.040 -6.418 1.00 15.00 C ATOM 227 C LYS A 444 -5.297 -6.933 -6.218 1.00 15.00 C ATOM 228 O LYS A 444 -4.175 -7.017 -6.719 1.00 15.00 O ATOM 229 CB LYS A 444 -5.912 -9.315 -5.679 1.00 15.00 C ATOM 230 CG LYS A 444 -6.935 -10.438 -5.794 1.00 15.00 C ATOM 231 CD LYS A 444 -6.441 -11.724 -5.151 1.00 15.00 C ATOM 232 CE LYS A 444 -6.409 -11.626 -3.637 1.00 15.00 C ATOM 233 NZ LYS A 444 -5.772 -12.819 -3.024 1.00 15.00 N ATOM 0 H LYS A 444 -5.695 -8.746 -8.287 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.280 -7.706 -6.003 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -4.957 -9.661 -6.075 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.755 -9.082 -4.626 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -7.867 -10.130 -5.320 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.157 -10.620 -6.845 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -7.088 -12.549 -5.447 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -5.442 -11.954 -5.521 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -5.864 -10.730 -3.342 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -7.425 -11.520 -3.257 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -5.768 -12.717 -1.989 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -6.307 -13.671 -3.286 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -4.794 -12.905 -3.367 1.00 15.00 H new ATOM 247 N THR A 445 -5.682 -5.891 -5.498 1.00 15.00 N ATOM 248 CA THR A 445 -4.806 -4.749 -5.286 1.00 15.00 C ATOM 249 C THR A 445 -4.471 -4.577 -3.808 1.00 15.00 C ATOM 250 O THR A 445 -5.364 -4.485 -2.966 1.00 15.00 O ATOM 251 CB THR A 445 -5.457 -3.459 -5.819 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.899 -3.668 -7.167 1.00 15.00 O ATOM 253 CG2 THR A 445 -4.480 -2.291 -5.776 1.00 15.00 C ATOM 0 H THR A 445 -6.595 -5.812 -5.051 1.00 15.00 H new ATOM 0 HA THR A 445 -3.883 -4.939 -5.833 1.00 15.00 H new ATOM 0 HB THR A 445 -6.307 -3.215 -5.182 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.692 -3.119 -7.340 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.968 -1.394 -6.158 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.162 -2.120 -4.748 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.610 -2.521 -6.391 1.00 15.00 H new ATOM 261 N TYR A 446 -3.181 -4.539 -3.503 1.00 15.00 N ATOM 262 CA TYR A 446 -2.723 -4.351 -2.134 1.00 15.00 C ATOM 263 C TYR A 446 -1.514 -3.426 -2.101 1.00 15.00 C ATOM 264 O TYR A 446 -0.724 -3.383 -3.049 1.00 15.00 O ATOM 265 CB TYR A 446 -2.392 -5.698 -1.477 1.00 15.00 C ATOM 266 CG TYR A 446 -1.310 -6.506 -2.166 1.00 15.00 C ATOM 267 CD1 TYR A 446 -1.594 -7.271 -3.292 1.00 15.00 C ATOM 268 CD2 TYR A 446 -0.012 -6.525 -1.671 1.00 15.00 C ATOM 269 CE1 TYR A 446 -0.614 -8.029 -3.904 1.00 15.00 C ATOM 270 CE2 TYR A 446 0.974 -7.277 -2.282 1.00 15.00 C ATOM 271 CZ TYR A 446 0.667 -8.029 -3.396 1.00 15.00 C ATOM 272 OH TYR A 446 1.641 -8.788 -4.001 1.00 15.00 O ATOM 0 H TYR A 446 -2.431 -4.636 -4.188 1.00 15.00 H new ATOM 0 HA TYR A 446 -3.529 -3.888 -1.565 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -2.086 -5.516 -0.447 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -3.301 -6.298 -1.438 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -2.596 -7.273 -3.694 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.231 -5.943 -0.794 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.851 -8.619 -4.777 1.00 15.00 H new ATOM 0 HE2 TYR A 446 1.980 -7.275 -1.889 1.00 15.00 H new ATOM 0 HH TYR A 446 2.488 -8.676 -3.521 1.00 15.00 H new ATOM 282 N TYR A 447 -1.375 -2.697 -1.005 1.00 15.00 N ATOM 283 CA TYR A 447 -0.308 -1.724 -0.856 1.00 15.00 C ATOM 284 C TYR A 447 0.778 -2.263 0.066 1.00 15.00 C ATOM 285 O TYR A 447 0.514 -2.603 1.223 1.00 15.00 O ATOM 286 CB TYR A 447 -0.864 -0.410 -0.302 1.00 15.00 C ATOM 287 CG TYR A 447 -2.007 0.152 -1.111 1.00 15.00 C ATOM 288 CD1 TYR A 447 -1.769 0.964 -2.211 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.324 -0.133 -0.777 1.00 15.00 C ATOM 290 CE1 TYR A 447 -2.812 1.473 -2.959 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.372 0.373 -1.519 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.110 1.175 -2.607 1.00 15.00 C ATOM 293 OH TYR A 447 -5.148 1.676 -3.354 1.00 15.00 O ATOM 0 H TYR A 447 -1.996 -2.763 -0.198 1.00 15.00 H new ATOM 0 HA TYR A 447 0.129 -1.536 -1.837 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.200 -0.571 0.722 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.061 0.326 -0.263 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -0.752 1.201 -2.486 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.532 -0.761 0.077 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -2.611 2.101 -3.815 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.391 0.141 -1.248 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.763 0.950 -3.588 1.00 15.00 H new ATOM 303 N TYR A 448 1.993 -2.343 -0.451 1.00 15.00 N ATOM 304 CA TYR A 448 3.120 -2.853 0.311 1.00 15.00 C ATOM 305 C TYR A 448 3.973 -1.702 0.829 1.00 15.00 C ATOM 306 O TYR A 448 4.506 -0.910 0.048 1.00 15.00 O ATOM 307 CB TYR A 448 3.961 -3.789 -0.562 1.00 15.00 C ATOM 308 CG TYR A 448 5.126 -4.434 0.159 1.00 15.00 C ATOM 309 CD1 TYR A 448 4.913 -5.430 1.101 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.437 -4.058 -0.111 1.00 15.00 C ATOM 311 CE1 TYR A 448 5.969 -6.033 1.757 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.499 -4.655 0.543 1.00 15.00 C ATOM 313 CZ TYR A 448 7.258 -5.642 1.475 1.00 15.00 C ATOM 314 OH TYR A 448 8.313 -6.246 2.124 1.00 15.00 O ATOM 0 H TYR A 448 2.225 -2.059 -1.403 1.00 15.00 H new ATOM 0 HA TYR A 448 2.742 -3.414 1.166 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.316 -4.573 -0.960 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.343 -3.227 -1.414 1.00 15.00 H new ATOM 0 HD1 TYR A 448 3.903 -5.740 1.326 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.629 -3.288 -0.843 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.784 -6.807 2.487 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.512 -4.350 0.325 1.00 15.00 H new ATOM 0 HH TYR A 448 9.156 -5.857 1.811 1.00 15.00 H new ATOM 324 N ASN A 449 4.105 -1.614 2.142 1.00 15.00 N ATOM 325 CA ASN A 449 4.921 -0.579 2.756 1.00 15.00 C ATOM 326 C ASN A 449 6.346 -1.089 2.912 1.00 15.00 C ATOM 327 O ASN A 449 6.588 -2.048 3.639 1.00 15.00 O ATOM 328 CB ASN A 449 4.367 -0.195 4.134 1.00 15.00 C ATOM 329 CG ASN A 449 5.031 1.049 4.705 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.191 1.330 4.427 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.316 1.778 5.542 1.00 15.00 N ATOM 0 H ASN A 449 3.657 -2.247 2.804 1.00 15.00 H new ATOM 0 HA ASN A 449 4.905 0.303 2.116 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.293 -0.026 4.056 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.509 -1.027 4.823 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.727 2.603 5.979 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.353 1.516 5.752 1.00 15.00 H new ATOM 338 N ASN A 450 7.283 -0.448 2.225 1.00 15.00 N ATOM 339 CA ASN A 450 8.684 -0.863 2.257 1.00 15.00 C ATOM 340 C ASN A 450 9.399 -0.300 3.480 1.00 15.00 C ATOM 341 O ASN A 450 10.522 -0.693 3.792 1.00 15.00 O ATOM 342 CB ASN A 450 9.412 -0.412 0.988 1.00 15.00 C ATOM 343 CG ASN A 450 8.918 -1.113 -0.262 1.00 15.00 C ATOM 344 OD1 ASN A 450 9.433 -2.164 -0.643 1.00 15.00 O ATOM 345 ND2 ASN A 450 7.917 -0.536 -0.908 1.00 15.00 N ATOM 0 H ASN A 450 7.099 0.364 1.636 1.00 15.00 H new ATOM 0 HA ASN A 450 8.700 -1.951 2.313 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.287 0.664 0.867 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.480 -0.598 1.103 1.00 15.00 H new ATOM 0 HD21 ASN A 450 7.544 -0.963 -1.756 1.00 15.00 H new ATOM 0 HD22 ASN A 450 7.519 0.335 -0.558 1.00 15.00 H new ATOM 352 N ARG A 451 8.746 0.626 4.168 1.00 15.00 N ATOM 353 CA ARG A 451 9.336 1.272 5.333 1.00 15.00 C ATOM 354 C ARG A 451 9.120 0.417 6.579 1.00 15.00 C ATOM 355 O ARG A 451 9.937 0.427 7.500 1.00 15.00 O ATOM 356 CB ARG A 451 8.734 2.670 5.528 1.00 15.00 C ATOM 357 CG ARG A 451 9.455 3.545 6.547 1.00 15.00 C ATOM 358 CD ARG A 451 10.830 3.978 6.055 1.00 15.00 C ATOM 359 NE ARG A 451 11.823 2.909 6.162 1.00 15.00 N ATOM 360 CZ ARG A 451 12.535 2.439 5.142 1.00 15.00 C ATOM 361 NH1 ARG A 451 12.349 2.912 3.918 1.00 15.00 N ATOM 362 NH2 ARG A 451 13.436 1.487 5.351 1.00 15.00 N ATOM 0 H ARG A 451 7.805 0.948 3.939 1.00 15.00 H new ATOM 0 HA ARG A 451 10.408 1.378 5.169 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.730 3.185 4.567 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.694 2.562 5.836 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.851 4.427 6.759 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.561 2.998 7.484 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.757 4.299 5.016 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.165 4.840 6.632 1.00 15.00 H new ATOM 0 HE ARG A 451 11.980 2.496 7.081 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.656 3.642 3.753 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.899 2.546 3.141 1.00 15.00 H new ATOM 0 HH21 ARG A 451 13.580 1.119 6.291 1.00 15.00 H new ATOM 0 HH22 ARG A 451 13.984 1.124 4.571 1.00 15.00 H new ATOM 376 N THR A 452 8.010 -0.310 6.605 1.00 15.00 N ATOM 377 CA THR A 452 7.695 -1.188 7.727 1.00 15.00 C ATOM 378 C THR A 452 7.641 -2.650 7.290 1.00 15.00 C ATOM 379 O THR A 452 7.569 -3.552 8.127 1.00 15.00 O ATOM 380 CB THR A 452 6.350 -0.800 8.368 1.00 15.00 C ATOM 381 OG1 THR A 452 5.334 -0.723 7.359 1.00 15.00 O ATOM 382 CG2 THR A 452 6.454 0.533 9.095 1.00 15.00 C ATOM 0 H THR A 452 7.312 -0.310 5.862 1.00 15.00 H new ATOM 0 HA THR A 452 8.492 -1.069 8.461 1.00 15.00 H new ATOM 0 HB THR A 452 6.086 -1.567 9.095 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.480 -0.477 7.773 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.490 0.782 9.538 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.206 0.461 9.880 1.00 15.00 H new ATOM 0 HG23 THR A 452 6.740 1.312 8.388 1.00 15.00 H new ATOM 390 N LEU A 453 7.674 -2.868 5.972 1.00 15.00 N ATOM 391 CA LEU A 453 7.610 -4.208 5.377 1.00 15.00 C ATOM 392 C LEU A 453 6.231 -4.835 5.589 1.00 15.00 C ATOM 393 O LEU A 453 6.084 -6.058 5.568 1.00 15.00 O ATOM 394 CB LEU A 453 8.704 -5.116 5.953 1.00 15.00 C ATOM 395 CG LEU A 453 10.140 -4.653 5.696 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.129 -5.634 6.304 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.394 -4.495 4.204 1.00 15.00 C ATOM 0 H LEU A 453 7.746 -2.118 5.285 1.00 15.00 H new ATOM 0 HA LEU A 453 7.779 -4.105 4.305 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.554 -5.200 7.029 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.581 -6.115 5.535 1.00 15.00 H new ATOM 0 HG LEU A 453 10.279 -3.682 6.171 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.146 -5.291 6.113 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.964 -5.698 7.379 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.988 -6.618 5.856 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.420 -4.165 4.043 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.237 -5.451 3.705 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.706 -3.755 3.794 1.00 15.00 H new ATOM 409 N GLU A 454 5.214 -3.990 5.726 1.00 15.00 N ATOM 410 CA GLU A 454 3.858 -4.456 6.013 1.00 15.00 C ATOM 411 C GLU A 454 2.955 -4.325 4.788 1.00 15.00 C ATOM 412 O GLU A 454 3.011 -3.328 4.066 1.00 15.00 O ATOM 413 CB GLU A 454 3.258 -3.673 7.183 1.00 15.00 C ATOM 414 CG GLU A 454 3.994 -3.881 8.498 1.00 15.00 C ATOM 415 CD GLU A 454 4.168 -5.347 8.841 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.160 -6.086 8.876 1.00 15.00 O ATOM 417 OE2 GLU A 454 5.316 -5.775 9.066 1.00 15.00 O ATOM 0 H GLU A 454 5.302 -2.977 5.643 1.00 15.00 H new ATOM 0 HA GLU A 454 3.922 -5.510 6.282 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.262 -2.611 6.938 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.216 -3.967 7.309 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.973 -3.406 8.441 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.446 -3.386 9.300 1.00 15.00 H new ATOM 424 N SER A 455 2.104 -5.322 4.579 1.00 15.00 N ATOM 425 CA SER A 455 1.206 -5.342 3.433 1.00 15.00 C ATOM 426 C SER A 455 -0.236 -5.092 3.868 1.00 15.00 C ATOM 427 O SER A 455 -0.797 -5.854 4.660 1.00 15.00 O ATOM 428 CB SER A 455 1.303 -6.691 2.718 1.00 15.00 C ATOM 429 OG SER A 455 2.646 -7.000 2.388 1.00 15.00 O ATOM 0 H SER A 455 2.018 -6.132 5.193 1.00 15.00 H new ATOM 0 HA SER A 455 1.505 -4.547 2.750 1.00 15.00 H new ATOM 0 HB2 SER A 455 0.893 -7.474 3.356 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.699 -6.669 1.811 1.00 15.00 H new ATOM 0 HG SER A 455 2.680 -7.867 1.933 1.00 15.00 H new ATOM 435 N TYR A 456 -0.834 -4.026 3.350 1.00 15.00 N ATOM 436 CA TYR A 456 -2.218 -3.691 3.671 1.00 15.00 C ATOM 437 C TYR A 456 -3.093 -3.783 2.427 1.00 15.00 C ATOM 438 O TYR A 456 -2.741 -3.261 1.369 1.00 15.00 O ATOM 439 CB TYR A 456 -2.318 -2.279 4.259 1.00 15.00 C ATOM 440 CG TYR A 456 -1.593 -2.093 5.574 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.499 -3.128 6.497 1.00 15.00 C ATOM 442 CD2 TYR A 456 -1.010 -0.874 5.895 1.00 15.00 C ATOM 443 CE1 TYR A 456 -0.839 -2.955 7.699 1.00 15.00 C ATOM 444 CE2 TYR A 456 -0.349 -0.693 7.096 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.265 -1.736 7.993 1.00 15.00 C ATOM 446 OH TYR A 456 0.392 -1.561 9.193 1.00 15.00 O ATOM 0 H TYR A 456 -0.383 -3.377 2.705 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.569 -4.408 4.413 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.919 -1.569 3.535 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.370 -2.032 4.401 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -1.949 -4.083 6.271 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -1.074 -0.054 5.195 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -0.773 -3.770 8.404 1.00 15.00 H new ATOM 0 HE2 TYR A 456 0.099 0.261 7.330 1.00 15.00 H new ATOM 0 HH TYR A 456 0.740 -0.646 9.245 1.00 15.00 H new ATOM 456 N TRP A 457 -4.238 -4.435 2.559 1.00 15.00 N ATOM 457 CA TRP A 457 -5.198 -4.515 1.464 1.00 15.00 C ATOM 458 C TRP A 457 -6.157 -3.332 1.519 1.00 15.00 C ATOM 459 O TRP A 457 -6.925 -3.089 0.588 1.00 15.00 O ATOM 460 CB TRP A 457 -5.975 -5.834 1.514 1.00 15.00 C ATOM 461 CG TRP A 457 -5.120 -7.035 1.255 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.345 -7.702 2.159 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.954 -7.714 0.005 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.704 -8.749 1.546 1.00 15.00 N ATOM 465 CE2 TRP A 457 -4.062 -8.779 0.225 1.00 15.00 C ATOM 466 CE3 TRP A 457 -5.473 -7.524 -1.280 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.679 -9.651 -0.789 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -5.091 -8.390 -2.286 1.00 15.00 C ATOM 469 CH2 TRP A 457 -4.201 -9.442 -2.036 1.00 15.00 C ATOM 0 H TRP A 457 -4.527 -4.916 3.411 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.649 -4.481 0.523 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.444 -5.935 2.493 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.778 -5.803 0.778 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.250 -7.444 3.203 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.064 -9.400 2.001 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -6.160 -6.715 -1.482 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.994 -10.464 -0.598 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -5.485 -8.254 -3.282 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.921 -10.102 -2.844 1.00 15.00 H new ATOM 480 N GLU A 458 -6.113 -2.614 2.630 1.00 15.00 N ATOM 481 CA GLU A 458 -6.906 -1.413 2.811 1.00 15.00 C ATOM 482 C GLU A 458 -6.007 -0.182 2.792 1.00 15.00 C ATOM 483 O GLU A 458 -4.905 -0.203 3.342 1.00 15.00 O ATOM 484 CB GLU A 458 -7.687 -1.476 4.132 1.00 15.00 C ATOM 485 CG GLU A 458 -6.859 -1.888 5.345 1.00 15.00 C ATOM 486 CD GLU A 458 -6.703 -3.393 5.467 1.00 15.00 C ATOM 487 OE1 GLU A 458 -7.638 -4.050 5.975 1.00 15.00 O ATOM 488 OE2 GLU A 458 -5.656 -3.930 5.047 1.00 15.00 O ATOM 0 H GLU A 458 -5.526 -2.849 3.430 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.619 -1.343 1.990 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -8.127 -0.497 4.325 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -8.512 -2.179 4.017 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.872 -1.429 5.279 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.330 -1.502 6.249 1.00 15.00 H new ATOM 495 N LYS A 459 -6.489 0.887 2.165 1.00 15.00 N ATOM 496 CA LYS A 459 -5.740 2.137 2.088 1.00 15.00 C ATOM 497 C LYS A 459 -5.456 2.696 3.481 1.00 15.00 C ATOM 498 O LYS A 459 -6.376 2.944 4.260 1.00 15.00 O ATOM 499 CB LYS A 459 -6.507 3.181 1.280 1.00 15.00 C ATOM 500 CG LYS A 459 -6.632 2.865 -0.202 1.00 15.00 C ATOM 501 CD LYS A 459 -7.266 4.027 -0.952 1.00 15.00 C ATOM 502 CE LYS A 459 -7.306 3.784 -2.452 1.00 15.00 C ATOM 503 NZ LYS A 459 -8.190 2.646 -2.817 1.00 15.00 N ATOM 0 H LYS A 459 -7.397 0.912 1.702 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.795 1.917 1.592 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.507 3.286 1.702 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -6.011 4.145 1.392 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.647 2.653 -0.617 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.235 1.967 -0.337 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -8.279 4.186 -0.584 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -6.705 4.939 -0.748 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -7.654 4.687 -2.955 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.296 3.587 -2.813 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.225 2.551 -3.852 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.816 1.769 -2.401 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.149 2.820 -2.453 1.00 15.00 H new ATOM 517 N PRO A 460 -4.174 2.893 3.804 1.00 15.00 N ATOM 518 CA PRO A 460 -3.764 3.516 5.063 1.00 15.00 C ATOM 519 C PRO A 460 -4.165 4.987 5.117 1.00 15.00 C ATOM 520 O PRO A 460 -4.211 5.668 4.089 1.00 15.00 O ATOM 521 CB PRO A 460 -2.238 3.377 5.047 1.00 15.00 C ATOM 522 CG PRO A 460 -1.881 3.252 3.608 1.00 15.00 C ATOM 523 CD PRO A 460 -3.022 2.518 2.968 1.00 15.00 C ATOM 0 HA PRO A 460 -4.234 3.051 5.930 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.757 4.244 5.500 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.915 2.503 5.612 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.742 4.233 3.153 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.945 2.707 3.483 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.163 2.819 1.930 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.858 1.440 2.968 1.00 15.00 H new ATOM 531 N GLN A 461 -4.407 5.485 6.322 1.00 15.00 N ATOM 532 CA GLN A 461 -4.814 6.874 6.517 1.00 15.00 C ATOM 533 C GLN A 461 -3.660 7.824 6.188 1.00 15.00 C ATOM 534 O GLN A 461 -3.834 9.039 6.121 1.00 15.00 O ATOM 535 CB GLN A 461 -5.282 7.085 7.963 1.00 15.00 C ATOM 536 CG GLN A 461 -5.902 8.450 8.224 1.00 15.00 C ATOM 537 CD GLN A 461 -7.194 8.676 7.456 1.00 15.00 C ATOM 538 OE1 GLN A 461 -7.513 9.803 7.074 1.00 15.00 O ATOM 539 NE2 GLN A 461 -7.964 7.617 7.253 1.00 15.00 N ATOM 0 H GLN A 461 -4.329 4.946 7.185 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.641 7.093 5.842 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.010 6.314 8.214 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -4.432 6.950 8.632 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.098 8.555 9.291 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.185 9.225 7.953 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.666 6.699 7.584 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.854 7.720 6.766 1.00 15.00 H new ATOM 548 N GLU A 462 -2.477 7.258 5.988 1.00 15.00 N ATOM 549 CA GLU A 462 -1.298 8.054 5.673 1.00 15.00 C ATOM 550 C GLU A 462 -1.158 8.202 4.161 1.00 15.00 C ATOM 551 O GLU A 462 -0.296 8.930 3.672 1.00 15.00 O ATOM 552 CB GLU A 462 -0.024 7.405 6.233 1.00 15.00 C ATOM 553 CG GLU A 462 -0.238 6.518 7.454 1.00 15.00 C ATOM 554 CD GLU A 462 -0.985 7.208 8.578 1.00 15.00 C ATOM 555 OE1 GLU A 462 -0.520 8.264 9.054 1.00 15.00 O ATOM 556 OE2 GLU A 462 -2.035 6.686 9.001 1.00 15.00 O ATOM 0 H GLU A 462 -2.308 6.253 6.038 1.00 15.00 H new ATOM 0 HA GLU A 462 -1.424 9.034 6.134 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.439 6.809 5.446 1.00 15.00 H new ATOM 0 HB3 GLU A 462 0.683 8.193 6.494 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -0.790 5.627 7.154 1.00 15.00 H new ATOM 0 HG3 GLU A 462 0.731 6.183 7.824 1.00 15.00 H new ATOM 563 N LEU A 463 -2.005 7.491 3.427 1.00 15.00 N ATOM 564 CA LEU A 463 -1.925 7.470 1.973 1.00 15.00 C ATOM 565 C LEU A 463 -2.852 8.514 1.364 1.00 15.00 C ATOM 566 O LEU A 463 -2.593 9.039 0.282 1.00 15.00 O ATOM 567 CB LEU A 463 -2.279 6.079 1.440 1.00 15.00 C ATOM 568 CG LEU A 463 -2.020 5.863 -0.050 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.529 5.902 -0.341 1.00 15.00 C ATOM 570 CD2 LEU A 463 -2.623 4.544 -0.510 1.00 15.00 C ATOM 0 H LEU A 463 -2.756 6.921 3.816 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.901 7.709 1.686 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.710 5.338 2.002 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -3.334 5.890 1.639 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.499 6.670 -0.605 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.362 5.746 -1.407 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.126 6.872 -0.048 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.027 5.116 0.223 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.429 4.407 -1.574 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.174 3.724 0.050 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.699 4.556 -0.336 1.00 15.00 H new ATOM 582 N LYS A 464 -3.943 8.794 2.057 1.00 15.00 N ATOM 583 CA LYS A 464 -4.935 9.733 1.566 1.00 15.00 C ATOM 584 C LYS A 464 -4.717 11.110 2.178 1.00 15.00 C ATOM 585 O LYS A 464 -4.979 11.275 3.383 1.00 15.00 O ATOM 586 CB LYS A 464 -6.347 9.227 1.876 1.00 15.00 C ATOM 587 CG LYS A 464 -7.469 10.113 1.344 1.00 15.00 C ATOM 588 CD LYS A 464 -7.622 10.034 -0.175 1.00 15.00 C ATOM 589 CE LYS A 464 -6.524 10.784 -0.920 1.00 15.00 C ATOM 590 NZ LYS A 464 -6.460 12.222 -0.534 1.00 15.00 N ATOM 591 OXT LYS A 464 -4.288 12.022 1.442 1.00 15.00 O ATOM 0 H LYS A 464 -4.164 8.383 2.964 1.00 15.00 H new ATOM 0 HA LYS A 464 -4.826 9.817 0.485 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -6.461 8.227 1.457 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -6.457 9.134 2.956 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -8.408 9.822 1.814 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -7.276 11.147 1.631 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -7.614 8.988 -0.482 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -8.592 10.442 -0.459 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -5.563 10.312 -0.717 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -6.697 10.705 -1.993 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -6.248 12.798 -1.374 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -7.374 12.515 -0.135 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -5.713 12.358 0.176 1.00 15.00 H new