USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 256 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= 0.609 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -160:sc= 1.66 (180deg=0.529) USER MOD Set 2.1: A 439 LYS NZ :NH3+ -178:sc= 0.999 (180deg=0) USER MOD Set 2.2: A 445 THR OG1 : rot 167:sc= 0.847 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 444 LYS NZ :NH3+ -165:sc= -0.0264 (180deg=-0.253) USER MOD Single : A 446 TYR OH : rot 180:sc= 0.972 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -0.493 K(o=-0.49,f=-11!) USER MOD Single : A 450 ASN : amide:sc= 0.789 K(o=0.79,f=-0.04) USER MOD Single : A 452 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= -0.69 USER MOD Single : A 456 THR OG1 : rot -98:sc= -0.899 USER MOD Single : A 461 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 464 LYS NZ :NH3+ -167:sc=-0.00691 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.474 5.774 -4.996 1.00 15.00 N ATOM 29 CA GLU A 434 4.151 4.655 -5.622 1.00 15.00 C ATOM 30 C GLU A 434 3.692 3.378 -4.936 1.00 15.00 C ATOM 31 O GLU A 434 4.480 2.666 -4.313 1.00 15.00 O ATOM 32 CB GLU A 434 5.675 4.795 -5.520 1.00 15.00 C ATOM 33 CG GLU A 434 6.389 4.367 -6.784 1.00 15.00 C ATOM 34 CD GLU A 434 7.898 4.438 -6.670 1.00 15.00 C ATOM 35 OE1 GLU A 434 8.519 3.430 -6.261 1.00 15.00 O ATOM 36 OE2 GLU A 434 8.465 5.501 -6.996 1.00 15.00 O1- ATOM 0 HA GLU A 434 3.900 4.629 -6.682 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.926 5.833 -5.300 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.035 4.196 -4.684 1.00 15.00 H new ATOM 0 HG2 GLU A 434 6.097 3.346 -7.030 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.063 5.000 -7.610 1.00 15.00 H new ATOM 43 N TRP A 435 2.401 3.105 -5.043 1.00 15.00 N ATOM 44 CA TRP A 435 1.778 2.063 -4.249 1.00 15.00 C ATOM 45 C TRP A 435 1.815 0.716 -4.956 1.00 15.00 C ATOM 46 O TRP A 435 1.157 0.505 -5.974 1.00 15.00 O ATOM 47 CB TRP A 435 0.330 2.433 -3.916 1.00 15.00 C ATOM 48 CG TRP A 435 0.197 3.702 -3.125 1.00 15.00 C ATOM 49 CD1 TRP A 435 -0.314 4.891 -3.562 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.586 3.913 -1.761 1.00 15.00 C ATOM 51 NE1 TRP A 435 -0.281 5.820 -2.551 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.269 5.246 -1.437 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.161 3.102 -0.780 1.00 15.00 C ATOM 54 CZ2 TRP A 435 0.510 5.783 -0.173 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.405 3.638 0.470 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.079 4.966 0.765 1.00 15.00 C ATOM 0 H TRP A 435 1.765 3.593 -5.674 1.00 15.00 H new ATOM 0 HA TRP A 435 2.350 1.976 -3.325 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.232 2.533 -4.844 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.124 1.616 -3.355 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -0.689 5.074 -4.558 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -0.613 6.782 -2.619 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.411 2.073 -0.995 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.257 6.807 0.057 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.856 3.021 1.233 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.280 5.354 1.753 1.00 15.00 H new ATOM 67 N THR A 436 2.618 -0.176 -4.413 1.00 15.00 N ATOM 68 CA THR A 436 2.643 -1.554 -4.847 1.00 15.00 C ATOM 69 C THR A 436 1.689 -2.363 -3.977 1.00 15.00 C ATOM 70 O THR A 436 1.902 -2.505 -2.771 1.00 15.00 O ATOM 71 CB THR A 436 4.064 -2.139 -4.746 1.00 15.00 C ATOM 72 OG1 THR A 436 4.982 -1.308 -5.475 1.00 15.00 O ATOM 73 CG2 THR A 436 4.114 -3.559 -5.291 1.00 15.00 C ATOM 0 H THR A 436 3.271 0.036 -3.659 1.00 15.00 H new ATOM 0 HA THR A 436 2.332 -1.602 -5.891 1.00 15.00 H new ATOM 0 HB THR A 436 4.348 -2.167 -3.694 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.886 -1.681 -5.408 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.130 -3.946 -5.206 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.436 -4.192 -4.719 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.812 -3.558 -6.338 1.00 15.00 H new ATOM 81 N GLU A 437 0.625 -2.856 -4.583 1.00 15.00 N ATOM 82 CA GLU A 437 -0.400 -3.578 -3.852 1.00 15.00 C ATOM 83 C GLU A 437 -0.091 -5.067 -3.854 1.00 15.00 C ATOM 84 O GLU A 437 0.023 -5.687 -4.913 1.00 15.00 O ATOM 85 CB GLU A 437 -1.770 -3.287 -4.475 1.00 15.00 C ATOM 86 CG GLU A 437 -2.958 -3.854 -3.710 1.00 15.00 C ATOM 87 CD GLU A 437 -3.265 -5.296 -4.057 1.00 15.00 C ATOM 88 OE1 GLU A 437 -3.726 -5.548 -5.191 1.00 15.00 O ATOM 89 OE2 GLU A 437 -3.062 -6.173 -3.198 1.00 15.00 O1- ATOM 0 H GLU A 437 0.448 -2.769 -5.584 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.418 -3.246 -2.814 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.893 -2.207 -4.558 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.784 -3.689 -5.488 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.761 -3.780 -2.641 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.837 -3.244 -3.915 1.00 15.00 H new ATOM 96 N ARG A 438 0.061 -5.633 -2.668 1.00 15.00 N ATOM 97 CA ARG A 438 0.354 -7.047 -2.543 1.00 15.00 C ATOM 98 C ARG A 438 -0.549 -7.682 -1.497 1.00 15.00 C ATOM 99 O ARG A 438 -0.847 -7.080 -0.460 1.00 15.00 O ATOM 100 CB ARG A 438 1.826 -7.271 -2.180 1.00 15.00 C ATOM 101 CG ARG A 438 2.276 -8.708 -2.400 1.00 15.00 C ATOM 102 CD ARG A 438 3.760 -8.900 -2.133 1.00 15.00 C ATOM 103 NE ARG A 438 4.082 -8.851 -0.708 1.00 15.00 N ATOM 104 CZ ARG A 438 4.659 -9.854 -0.045 1.00 15.00 C ATOM 105 NH1 ARG A 438 4.936 -10.994 -0.667 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 4.949 -9.718 1.241 1.00 15.00 N ATOM 0 H ARG A 438 -0.014 -5.134 -1.781 1.00 15.00 H new ATOM 0 HA ARG A 438 0.165 -7.520 -3.507 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.448 -6.605 -2.778 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.983 -7.002 -1.135 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.704 -9.368 -1.748 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.054 -9.002 -3.426 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.079 -9.859 -2.542 1.00 15.00 H new ATOM 0 HD3 ARG A 438 4.323 -8.127 -2.657 1.00 15.00 H new ATOM 0 HE ARG A 438 3.852 -8.002 -0.192 1.00 15.00 H new ATOM 0 HH11 ARG A 438 4.707 -11.105 -1.655 1.00 15.00 H new ATOM 0 HH12 ARG A 438 5.377 -11.759 -0.157 1.00 15.00 H new ATOM 0 HH21 ARG A 438 4.731 -8.846 1.724 1.00 15.00 H new ATOM 0 HH22 ARG A 438 5.390 -10.485 1.748 1.00 15.00 H new ATOM 120 N LYS A 439 -0.943 -8.914 -1.751 1.00 15.00 N ATOM 121 CA LYS A 439 -1.834 -9.626 -0.857 1.00 15.00 C ATOM 122 C LYS A 439 -1.032 -10.393 0.188 1.00 15.00 C ATOM 123 O LYS A 439 -0.145 -11.180 -0.140 1.00 15.00 O ATOM 124 CB LYS A 439 -2.711 -10.595 -1.656 1.00 15.00 C ATOM 125 CG LYS A 439 -3.715 -11.358 -0.804 1.00 15.00 C ATOM 126 CD LYS A 439 -4.813 -10.451 -0.268 1.00 15.00 C ATOM 127 CE LYS A 439 -5.771 -10.023 -1.369 1.00 15.00 C ATOM 128 NZ LYS A 439 -6.912 -9.229 -0.839 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.658 -9.445 -2.574 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.472 -8.903 -0.349 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.249 -10.037 -2.422 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.070 -11.309 -2.173 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.161 -12.156 -1.397 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.197 -11.832 0.030 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.366 -10.971 0.515 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.366 -9.569 0.190 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -5.231 -9.432 -2.109 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.152 -10.906 -1.882 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -7.558 -8.987 -1.617 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -7.423 -9.788 -0.127 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.554 -8.356 -0.402 1.00 15.00 H new ATOM 142 N THR A 440 -1.355 -10.145 1.445 1.00 15.00 N ATOM 143 CA THR A 440 -0.743 -10.853 2.554 1.00 15.00 C ATOM 144 C THR A 440 -1.567 -12.099 2.870 1.00 15.00 C ATOM 145 O THR A 440 -2.799 -12.049 2.853 1.00 15.00 O ATOM 146 CB THR A 440 -0.657 -9.938 3.798 1.00 15.00 C ATOM 147 OG1 THR A 440 0.132 -8.788 3.489 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.051 -10.655 4.995 1.00 15.00 C ATOM 0 H THR A 440 -2.047 -9.449 1.725 1.00 15.00 H new ATOM 0 HA THR A 440 0.269 -11.147 2.278 1.00 15.00 H new ATOM 0 HB THR A 440 -1.673 -9.645 4.063 1.00 15.00 H new ATOM 0 HG1 THR A 440 0.186 -8.207 4.276 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.011 -9.974 5.845 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.665 -11.519 5.251 1.00 15.00 H new ATOM 0 HG23 THR A 440 0.957 -10.987 4.748 1.00 15.00 H new ATOM 156 N ALA A 441 -0.880 -13.206 3.162 1.00 15.00 N ATOM 157 CA ALA A 441 -1.526 -14.509 3.335 1.00 15.00 C ATOM 158 C ALA A 441 -2.543 -14.516 4.478 1.00 15.00 C ATOM 159 O ALA A 441 -3.359 -15.428 4.582 1.00 15.00 O ATOM 160 CB ALA A 441 -0.474 -15.585 3.563 1.00 15.00 C ATOM 0 H ALA A 441 0.132 -13.225 3.284 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.077 -14.719 2.418 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -0.963 -16.551 3.691 1.00 15.00 H new ATOM 0 HB2 ALA A 441 0.195 -15.628 2.703 1.00 15.00 H new ATOM 0 HB3 ALA A 441 0.101 -15.348 4.458 1.00 15.00 H new ATOM 166 N ASP A 442 -2.493 -13.500 5.331 1.00 15.00 N ATOM 167 CA ASP A 442 -3.447 -13.383 6.433 1.00 15.00 C ATOM 168 C ASP A 442 -4.825 -12.971 5.911 1.00 15.00 C ATOM 169 O ASP A 442 -5.837 -13.123 6.597 1.00 15.00 O ATOM 170 CB ASP A 442 -2.951 -12.365 7.467 1.00 15.00 C ATOM 171 CG ASP A 442 -3.874 -12.256 8.668 1.00 15.00 C ATOM 172 OD1 ASP A 442 -3.830 -13.152 9.535 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -4.651 -11.281 8.742 1.00 15.00 O ATOM 0 H ASP A 442 -1.806 -12.747 5.284 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.533 -14.358 6.913 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.955 -12.651 7.804 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.859 -11.387 6.994 1.00 15.00 H new ATOM 178 N GLY A 443 -4.856 -12.465 4.687 1.00 15.00 N ATOM 179 CA GLY A 443 -6.096 -11.986 4.114 1.00 15.00 C ATOM 180 C GLY A 443 -6.180 -10.475 4.147 1.00 15.00 C ATOM 181 O GLY A 443 -7.268 -9.901 4.211 1.00 15.00 O ATOM 0 H GLY A 443 -4.042 -12.378 4.079 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.179 -12.333 3.084 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.938 -12.410 4.662 1.00 15.00 H new ATOM 185 N LYS A 444 -5.022 -9.829 4.116 1.00 15.00 N ATOM 186 CA LYS A 444 -4.955 -8.375 4.156 1.00 15.00 C ATOM 187 C LYS A 444 -4.238 -7.842 2.928 1.00 15.00 C ATOM 188 O LYS A 444 -3.189 -8.350 2.541 1.00 15.00 O ATOM 189 CB LYS A 444 -4.204 -7.894 5.397 1.00 15.00 C ATOM 190 CG LYS A 444 -4.793 -8.361 6.718 1.00 15.00 C ATOM 191 CD LYS A 444 -3.938 -7.899 7.889 1.00 15.00 C ATOM 192 CE LYS A 444 -4.563 -8.260 9.227 1.00 15.00 C ATOM 193 NZ LYS A 444 -5.866 -7.578 9.431 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.114 -10.291 4.063 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.979 -8.003 4.183 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.171 -8.236 5.335 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.180 -6.804 5.391 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.806 -7.972 6.827 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.867 -9.448 6.723 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.949 -8.352 7.817 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.799 -6.819 7.833 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.706 -9.339 9.282 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -3.880 -7.987 10.032 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -6.137 -7.640 10.433 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -5.782 -6.579 9.156 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -6.594 -8.037 8.847 1.00 15.00 H new ATOM 207 N THR A 445 -4.794 -6.811 2.338 1.00 15.00 N ATOM 208 CA THR A 445 -4.142 -6.114 1.244 1.00 15.00 C ATOM 209 C THR A 445 -3.426 -4.877 1.776 1.00 15.00 C ATOM 210 O THR A 445 -4.061 -3.944 2.273 1.00 15.00 O ATOM 211 CB THR A 445 -5.152 -5.721 0.142 1.00 15.00 C ATOM 212 OG1 THR A 445 -5.477 -6.873 -0.647 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.602 -4.628 -0.761 1.00 15.00 C ATOM 0 H THR A 445 -5.704 -6.430 2.597 1.00 15.00 H new ATOM 0 HA THR A 445 -3.413 -6.788 0.795 1.00 15.00 H new ATOM 0 HB THR A 445 -6.047 -5.336 0.631 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.261 -6.679 -1.202 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.341 -4.379 -1.523 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.381 -3.742 -0.166 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.689 -4.979 -1.242 1.00 15.00 H new ATOM 221 N TYR A 446 -2.106 -4.886 1.701 1.00 15.00 N ATOM 222 CA TYR A 446 -1.322 -3.769 2.190 1.00 15.00 C ATOM 223 C TYR A 446 -0.685 -3.037 1.019 1.00 15.00 C ATOM 224 O TYR A 446 -0.214 -3.657 0.061 1.00 15.00 O ATOM 225 CB TYR A 446 -0.260 -4.248 3.193 1.00 15.00 C ATOM 226 CG TYR A 446 0.956 -4.899 2.576 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.924 -6.219 2.156 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.142 -4.190 2.425 1.00 15.00 C ATOM 229 CE1 TYR A 446 2.037 -6.816 1.601 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.258 -4.779 1.870 1.00 15.00 C ATOM 231 CZ TYR A 446 3.202 -6.091 1.460 1.00 15.00 C ATOM 232 OH TYR A 446 4.312 -6.677 0.899 1.00 15.00 O ATOM 0 H TYR A 446 -1.558 -5.651 1.308 1.00 15.00 H new ATOM 0 HA TYR A 446 -1.979 -3.075 2.715 1.00 15.00 H new ATOM 0 HB2 TYR A 446 0.066 -3.395 3.788 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.724 -4.957 3.879 1.00 15.00 H new ATOM 0 HD1 TYR A 446 0.013 -6.789 2.265 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.190 -3.161 2.748 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.996 -7.846 1.279 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.171 -4.214 1.758 1.00 15.00 H new ATOM 0 HH TYR A 446 5.046 -6.029 0.873 1.00 15.00 H new ATOM 242 N TYR A 447 -0.686 -1.721 1.097 1.00 15.00 N ATOM 243 CA TYR A 447 -0.130 -0.892 0.048 1.00 15.00 C ATOM 244 C TYR A 447 1.264 -0.421 0.442 1.00 15.00 C ATOM 245 O TYR A 447 1.428 0.344 1.391 1.00 15.00 O ATOM 246 CB TYR A 447 -1.043 0.306 -0.218 1.00 15.00 C ATOM 247 CG TYR A 447 -2.411 -0.073 -0.748 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.448 -0.417 0.114 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.667 -0.081 -2.113 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.699 -0.758 -0.371 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.914 -0.417 -2.605 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.928 -0.755 -1.732 1.00 15.00 C ATOM 253 OH TYR A 447 -6.175 -1.089 -2.223 1.00 15.00 O ATOM 0 H TYR A 447 -1.070 -1.199 1.885 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.056 -1.480 -0.867 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.165 0.870 0.707 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.557 0.969 -0.934 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.274 -0.418 1.180 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.878 0.180 -2.802 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.492 -1.025 0.312 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -4.094 -0.415 -3.670 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.166 -1.036 -3.202 1.00 15.00 H new ATOM 263 N TYR A 448 2.263 -0.903 -0.273 1.00 15.00 N ATOM 264 CA TYR A 448 3.643 -0.555 0.015 1.00 15.00 C ATOM 265 C TYR A 448 4.160 0.453 -0.998 1.00 15.00 C ATOM 266 O TYR A 448 4.253 0.155 -2.185 1.00 15.00 O ATOM 267 CB TYR A 448 4.510 -1.819 -0.003 1.00 15.00 C ATOM 268 CG TYR A 448 5.986 -1.572 0.230 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.471 -1.288 1.499 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.895 -1.640 -0.819 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.821 -1.077 1.717 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.245 -1.427 -0.609 1.00 15.00 C ATOM 273 CZ TYR A 448 8.703 -1.147 0.659 1.00 15.00 C ATOM 274 OH TYR A 448 10.049 -0.944 0.875 1.00 15.00 O ATOM 0 H TYR A 448 2.144 -1.540 -1.061 1.00 15.00 H new ATOM 0 HA TYR A 448 3.693 -0.102 1.005 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.145 -2.506 0.761 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.385 -2.316 -0.965 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.783 -1.231 2.330 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.541 -1.863 -1.815 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.182 -0.859 2.711 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.937 -1.480 -1.436 1.00 15.00 H new ATOM 0 HH TYR A 448 10.533 -1.029 0.027 1.00 15.00 H new ATOM 284 N ASN A 449 4.498 1.641 -0.533 1.00 15.00 N ATOM 285 CA ASN A 449 5.053 2.655 -1.408 1.00 15.00 C ATOM 286 C ASN A 449 6.554 2.500 -1.428 1.00 15.00 C ATOM 287 O ASN A 449 7.224 2.716 -0.422 1.00 15.00 O ATOM 288 CB ASN A 449 4.658 4.068 -0.953 1.00 15.00 C ATOM 289 CG ASN A 449 5.121 5.155 -1.916 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.212 5.093 -2.474 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.282 6.155 -2.135 1.00 15.00 N ATOM 0 H ASN A 449 4.398 1.926 0.441 1.00 15.00 H new ATOM 0 HA ASN A 449 4.651 2.522 -2.412 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.574 4.120 -0.849 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.083 4.258 0.033 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.536 6.901 -2.782 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.382 6.179 -1.656 1.00 15.00 H new ATOM 298 N ASN A 450 7.067 2.101 -2.577 1.00 15.00 N ATOM 299 CA ASN A 450 8.474 1.767 -2.725 1.00 15.00 C ATOM 300 C ASN A 450 9.365 3.003 -2.676 1.00 15.00 C ATOM 301 O ASN A 450 10.537 2.915 -2.307 1.00 15.00 O ATOM 302 CB ASN A 450 8.689 0.992 -4.029 1.00 15.00 C ATOM 303 CG ASN A 450 10.151 0.852 -4.406 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.840 -0.064 -3.950 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.626 1.752 -5.251 1.00 15.00 N ATOM 0 H ASN A 450 6.522 1.999 -3.433 1.00 15.00 H new ATOM 0 HA ASN A 450 8.760 1.138 -1.882 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.249 -0.000 -3.931 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.159 1.497 -4.836 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.600 1.706 -5.551 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.019 2.492 -5.602 1.00 15.00 H new ATOM 312 N ARG A 451 8.813 4.150 -3.028 1.00 15.00 N ATOM 313 CA ARG A 451 9.602 5.367 -3.102 1.00 15.00 C ATOM 314 C ARG A 451 9.857 5.949 -1.715 1.00 15.00 C ATOM 315 O ARG A 451 10.918 6.520 -1.458 1.00 15.00 O ATOM 316 CB ARG A 451 8.915 6.400 -3.997 1.00 15.00 C ATOM 317 CG ARG A 451 9.714 7.682 -4.171 1.00 15.00 C ATOM 318 CD ARG A 451 9.005 8.660 -5.087 1.00 15.00 C ATOM 319 NE ARG A 451 8.681 8.063 -6.378 1.00 15.00 N ATOM 320 CZ ARG A 451 8.461 8.757 -7.489 1.00 15.00 C ATOM 321 NH1 ARG A 451 8.657 10.073 -7.511 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 8.085 8.123 -8.588 1.00 15.00 N ATOM 0 H ARG A 451 7.828 4.265 -3.266 1.00 15.00 H new ATOM 0 HA ARG A 451 10.567 5.111 -3.540 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.736 5.958 -4.977 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.940 6.644 -3.574 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.876 8.146 -3.198 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.697 7.447 -4.579 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.089 9.007 -4.608 1.00 15.00 H new ATOM 0 HD3 ARG A 451 9.636 9.536 -5.241 1.00 15.00 H new ATOM 0 HE ARG A 451 8.619 7.046 -6.431 1.00 15.00 H new ATOM 0 HH11 ARG A 451 8.978 10.555 -6.671 1.00 15.00 H new ATOM 0 HH12 ARG A 451 8.486 10.600 -8.368 1.00 15.00 H new ATOM 0 HH21 ARG A 451 7.966 7.110 -8.577 1.00 15.00 H new ATOM 0 HH22 ARG A 451 7.914 8.647 -9.446 1.00 15.00 H new ATOM 336 N THR A 452 8.883 5.830 -0.828 1.00 15.00 N ATOM 337 CA THR A 452 9.030 6.361 0.519 1.00 15.00 C ATOM 338 C THR A 452 9.165 5.247 1.557 1.00 15.00 C ATOM 339 O THR A 452 9.451 5.514 2.725 1.00 15.00 O ATOM 340 CB THR A 452 7.845 7.276 0.882 1.00 15.00 C ATOM 341 OG1 THR A 452 6.607 6.643 0.530 1.00 15.00 O ATOM 342 CG2 THR A 452 7.956 8.615 0.171 1.00 15.00 C ATOM 0 H THR A 452 7.989 5.375 -1.013 1.00 15.00 H new ATOM 0 HA THR A 452 9.948 6.948 0.532 1.00 15.00 H new ATOM 0 HB THR A 452 7.869 7.451 1.958 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.860 7.232 0.766 1.00 15.00 H new ATOM 0 HG21 THR A 452 7.108 9.243 0.444 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.882 9.108 0.466 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.958 8.455 -0.907 1.00 15.00 H new ATOM 350 N LEU A 453 8.958 4.002 1.113 1.00 15.00 N ATOM 351 CA LEU A 453 9.061 2.813 1.970 1.00 15.00 C ATOM 352 C LEU A 453 7.912 2.773 2.974 1.00 15.00 C ATOM 353 O LEU A 453 7.975 2.075 3.988 1.00 15.00 O ATOM 354 CB LEU A 453 10.415 2.750 2.697 1.00 15.00 C ATOM 355 CG LEU A 453 11.611 2.300 1.846 1.00 15.00 C ATOM 356 CD1 LEU A 453 12.031 3.380 0.859 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.777 1.910 2.738 1.00 15.00 C ATOM 0 H LEU A 453 8.713 3.789 0.146 1.00 15.00 H new ATOM 0 HA LEU A 453 8.993 1.937 1.324 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.634 3.737 3.104 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.320 2.070 3.544 1.00 15.00 H new ATOM 0 HG LEU A 453 11.302 1.428 1.270 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.880 3.027 0.273 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.199 3.607 0.192 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.315 4.280 1.404 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.617 1.593 2.120 1.00 15.00 H new ATOM 0 HD22 LEU A 453 13.074 2.766 3.344 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.477 1.090 3.391 1.00 15.00 H new ATOM 369 N GLU A 454 6.834 3.469 2.639 1.00 15.00 N ATOM 370 CA GLU A 454 5.687 3.588 3.532 1.00 15.00 C ATOM 371 C GLU A 454 4.685 2.472 3.276 1.00 15.00 C ATOM 372 O GLU A 454 4.190 2.318 2.161 1.00 15.00 O ATOM 373 CB GLU A 454 5.014 4.950 3.349 1.00 15.00 C ATOM 374 CG GLU A 454 5.915 6.120 3.701 1.00 15.00 C ATOM 375 CD GLU A 454 6.226 6.195 5.179 1.00 15.00 C ATOM 376 OE1 GLU A 454 6.886 5.277 5.706 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 5.795 7.169 5.830 1.00 15.00 O ATOM 0 H GLU A 454 6.729 3.962 1.752 1.00 15.00 H new ATOM 0 HA GLU A 454 6.043 3.502 4.559 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.689 5.050 2.313 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.119 4.991 3.969 1.00 15.00 H new ATOM 0 HG2 GLU A 454 6.847 6.036 3.142 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.437 7.048 3.387 1.00 15.00 H new ATOM 384 N SER A 455 4.392 1.696 4.305 1.00 15.00 N ATOM 385 CA SER A 455 3.454 0.593 4.179 1.00 15.00 C ATOM 386 C SER A 455 2.138 0.937 4.867 1.00 15.00 C ATOM 387 O SER A 455 2.090 1.103 6.087 1.00 15.00 O ATOM 388 CB SER A 455 4.051 -0.674 4.790 1.00 15.00 C ATOM 389 OG SER A 455 5.388 -0.859 4.361 1.00 15.00 O ATOM 0 H SER A 455 4.790 1.809 5.237 1.00 15.00 H new ATOM 0 HA SER A 455 3.259 0.418 3.121 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.019 -0.608 5.878 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.450 -1.538 4.505 1.00 15.00 H new ATOM 0 HG SER A 455 5.751 -1.675 4.765 1.00 15.00 H new ATOM 395 N THR A 456 1.080 1.076 4.082 1.00 15.00 N ATOM 396 CA THR A 456 -0.231 1.370 4.629 1.00 15.00 C ATOM 397 C THR A 456 -1.112 0.127 4.609 1.00 15.00 C ATOM 398 O THR A 456 -1.132 -0.621 3.631 1.00 15.00 O ATOM 399 CB THR A 456 -0.929 2.511 3.856 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.014 2.192 2.462 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.180 3.823 4.031 1.00 15.00 C ATOM 0 H THR A 456 1.106 0.990 3.066 1.00 15.00 H new ATOM 0 HA THR A 456 -0.085 1.694 5.659 1.00 15.00 H new ATOM 0 HB THR A 456 -1.934 2.623 4.262 1.00 15.00 H new ATOM 0 HG1 THR A 456 -0.283 2.632 1.980 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.691 4.610 3.477 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.148 4.085 5.088 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.837 3.715 3.653 1.00 15.00 H new ATOM 409 N TRP A 457 -1.834 -0.098 5.692 1.00 15.00 N ATOM 410 CA TRP A 457 -2.728 -1.240 5.782 1.00 15.00 C ATOM 411 C TRP A 457 -4.152 -0.798 5.479 1.00 15.00 C ATOM 412 O TRP A 457 -5.090 -1.596 5.508 1.00 15.00 O ATOM 413 CB TRP A 457 -2.635 -1.889 7.164 1.00 15.00 C ATOM 414 CG TRP A 457 -1.302 -2.525 7.422 1.00 15.00 C ATOM 415 CD1 TRP A 457 -0.220 -1.955 8.035 1.00 15.00 C ATOM 416 CD2 TRP A 457 -0.905 -3.854 7.061 1.00 15.00 C ATOM 417 NE1 TRP A 457 0.821 -2.852 8.081 1.00 15.00 N ATOM 418 CE2 TRP A 457 0.425 -4.023 7.489 1.00 15.00 C ATOM 419 CE3 TRP A 457 -1.547 -4.918 6.421 1.00 15.00 C ATOM 420 CZ2 TRP A 457 1.123 -5.212 7.297 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -0.851 -6.097 6.228 1.00 15.00 C ATOM 422 CH2 TRP A 457 0.471 -6.236 6.666 1.00 15.00 C ATOM 0 H TRP A 457 -1.819 0.495 6.522 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.430 -1.987 5.046 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -2.826 -1.135 7.927 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -3.416 -2.643 7.259 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -0.188 -0.949 8.425 1.00 15.00 H new ATOM 0 HE1 TRP A 457 1.739 -2.675 8.489 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.568 -4.821 6.083 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 2.143 -5.322 7.634 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.336 -6.924 5.731 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.987 -7.171 6.503 1.00 15.00 H new ATOM 433 N GLU A 458 -4.294 0.487 5.189 1.00 15.00 N ATOM 434 CA GLU A 458 -5.569 1.064 4.803 1.00 15.00 C ATOM 435 C GLU A 458 -5.449 1.706 3.424 1.00 15.00 C ATOM 436 O GLU A 458 -4.395 2.240 3.068 1.00 15.00 O ATOM 437 CB GLU A 458 -6.014 2.087 5.850 1.00 15.00 C ATOM 438 CG GLU A 458 -6.300 1.459 7.206 1.00 15.00 C ATOM 439 CD GLU A 458 -6.651 2.473 8.273 1.00 15.00 C ATOM 440 OE1 GLU A 458 -7.753 3.053 8.210 1.00 15.00 O ATOM 441 OE2 GLU A 458 -5.839 2.670 9.205 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.526 1.158 5.215 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.324 0.280 4.750 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -5.239 2.845 5.962 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.910 2.597 5.495 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -7.121 0.750 7.104 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.427 0.891 7.527 1.00 15.00 H new ATOM 448 N LYS A 459 -6.538 1.649 2.666 1.00 15.00 N ATOM 449 CA LYS A 459 -6.572 2.125 1.285 1.00 15.00 C ATOM 450 C LYS A 459 -6.180 3.594 1.150 1.00 15.00 C ATOM 451 O LYS A 459 -6.727 4.463 1.832 1.00 15.00 O ATOM 452 CB LYS A 459 -7.966 1.918 0.701 1.00 15.00 C ATOM 453 CG LYS A 459 -8.251 0.482 0.303 1.00 15.00 C ATOM 454 CD LYS A 459 -9.696 0.299 -0.113 1.00 15.00 C ATOM 455 CE LYS A 459 -9.859 -0.914 -1.009 1.00 15.00 C ATOM 456 NZ LYS A 459 -9.124 -0.741 -2.291 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.427 1.270 2.992 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.834 1.542 0.733 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.708 2.238 1.432 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.083 2.559 -0.173 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.595 0.194 -0.519 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -8.025 -0.180 1.139 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -10.321 0.187 0.773 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -10.042 1.190 -0.636 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.492 -1.802 -0.494 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -10.917 -1.079 -1.213 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -9.509 -1.395 -3.003 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.234 0.238 -2.625 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -8.115 -0.945 -2.143 1.00 15.00 H new ATOM 470 N PRO A 460 -5.234 3.883 0.241 1.00 15.00 N ATOM 471 CA PRO A 460 -4.821 5.250 -0.082 1.00 15.00 C ATOM 472 C PRO A 460 -5.923 6.011 -0.814 1.00 15.00 C ATOM 473 O PRO A 460 -6.677 5.431 -1.607 1.00 15.00 O ATOM 474 CB PRO A 460 -3.605 5.057 -1.002 1.00 15.00 C ATOM 475 CG PRO A 460 -3.208 3.632 -0.833 1.00 15.00 C ATOM 476 CD PRO A 460 -4.478 2.899 -0.537 1.00 15.00 C ATOM 0 HA PRO A 460 -4.599 5.834 0.811 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.858 5.275 -2.040 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.792 5.728 -0.725 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.733 3.247 -1.735 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.490 3.518 -0.021 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -5.003 2.611 -1.448 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -4.297 1.985 0.029 1.00 15.00 H new ATOM 484 N GLN A 461 -5.979 7.313 -0.580 1.00 15.00 N ATOM 485 CA GLN A 461 -7.037 8.157 -1.122 1.00 15.00 C ATOM 486 C GLN A 461 -6.884 8.334 -2.636 1.00 15.00 C ATOM 487 O GLN A 461 -7.827 8.726 -3.327 1.00 15.00 O ATOM 488 CB GLN A 461 -7.022 9.511 -0.406 1.00 15.00 C ATOM 489 CG GLN A 461 -8.092 10.486 -0.867 1.00 15.00 C ATOM 490 CD GLN A 461 -8.061 11.785 -0.087 1.00 15.00 C ATOM 491 OE1 GLN A 461 -7.715 11.809 1.093 1.00 15.00 O ATOM 492 NE2 GLN A 461 -8.403 12.875 -0.745 1.00 15.00 N ATOM 0 H GLN A 461 -5.296 7.814 -0.012 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.998 7.673 -0.950 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -7.141 9.342 0.664 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.044 9.971 -0.549 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.955 10.698 -1.927 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.073 10.023 -0.759 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.684 12.813 -1.724 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.386 13.780 -0.276 1.00 15.00 H new ATOM 501 N GLU A 462 -5.691 8.050 -3.145 1.00 15.00 N ATOM 502 CA GLU A 462 -5.427 8.142 -4.577 1.00 15.00 C ATOM 503 C GLU A 462 -5.982 6.925 -5.314 1.00 15.00 C ATOM 504 O GLU A 462 -5.984 6.880 -6.543 1.00 15.00 O ATOM 505 CB GLU A 462 -3.923 8.250 -4.853 1.00 15.00 C ATOM 506 CG GLU A 462 -3.187 9.228 -3.952 1.00 15.00 C ATOM 507 CD GLU A 462 -2.619 8.567 -2.709 1.00 15.00 C ATOM 508 OE1 GLU A 462 -3.394 8.266 -1.779 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -1.388 8.341 -2.665 1.00 15.00 O ATOM 0 H GLU A 462 -4.890 7.754 -2.587 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.925 9.041 -4.940 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.474 7.263 -4.741 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.777 8.551 -5.891 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.377 9.693 -4.513 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -3.868 10.025 -3.655 1.00 15.00 H new ATOM 516 N LEU A 463 -6.425 5.931 -4.556 1.00 15.00 N ATOM 517 CA LEU A 463 -6.959 4.708 -5.139 1.00 15.00 C ATOM 518 C LEU A 463 -8.422 4.515 -4.758 1.00 15.00 C ATOM 519 O LEU A 463 -9.302 4.567 -5.621 1.00 15.00 O ATOM 520 CB LEU A 463 -6.148 3.481 -4.700 1.00 15.00 C ATOM 521 CG LEU A 463 -4.763 3.328 -5.344 1.00 15.00 C ATOM 522 CD1 LEU A 463 -3.764 4.310 -4.751 1.00 15.00 C ATOM 523 CD2 LEU A 463 -4.265 1.902 -5.183 1.00 15.00 C ATOM 0 H LEU A 463 -6.425 5.948 -3.536 1.00 15.00 H new ATOM 0 HA LEU A 463 -6.884 4.808 -6.222 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -6.022 3.521 -3.618 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -6.731 2.587 -4.920 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.859 3.553 -6.406 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.794 4.175 -5.229 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.112 5.329 -4.918 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.669 4.130 -3.680 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.282 1.806 -5.644 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.194 1.659 -4.123 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.961 1.217 -5.667 1.00 15.00 H new ATOM 535 N LYS A 464 -8.667 4.314 -3.463 1.00 15.00 N ATOM 536 CA LYS A 464 -10.007 4.032 -2.947 1.00 15.00 C ATOM 537 C LYS A 464 -10.539 2.725 -3.549 1.00 15.00 C ATOM 538 O LYS A 464 -10.080 1.644 -3.119 1.00 15.00 O ATOM 539 CB LYS A 464 -10.957 5.206 -3.246 1.00 15.00 C ATOM 540 CG LYS A 464 -12.331 5.092 -2.596 1.00 15.00 C ATOM 541 CD LYS A 464 -12.245 5.119 -1.076 1.00 15.00 C ATOM 542 CE LYS A 464 -13.627 5.133 -0.434 1.00 15.00 C ATOM 543 NZ LYS A 464 -14.362 6.399 -0.710 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -11.401 2.778 -4.448 1.00 15.00 O ATOM 0 H LYS A 464 -7.944 4.342 -2.744 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.952 3.913 -1.865 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -10.487 6.131 -2.911 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -11.086 5.286 -4.325 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -12.963 5.911 -2.938 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -12.808 4.166 -2.916 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.690 4.248 -0.727 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -11.687 6.000 -0.759 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -14.208 4.289 -0.807 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -13.527 5.000 0.643 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -15.191 6.462 -0.085 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -13.734 7.210 -0.536 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -14.674 6.410 -1.702 1.00 15.00 H new