USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=12 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 449 ASN : amide:sc= 0.484 K(o=0.48,f=-5.6!) USER MOD Set 1.2: A 452 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 447 TYR OH : rot 180:sc= 0.587 USER MOD Set 2.2: A 459 LYS NZ :NH3+ -126:sc= 0.628 (180deg=-0.0742) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 137:sc= 1.22 (180deg=-0.517) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.993) USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 446 TYR OH : rot 180:sc= -0.361 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.053) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.38 USER MOD Single : A 461 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.72) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.753 5.379 -6.577 1.00 15.00 N ATOM 29 CA GLU A 434 4.749 4.474 -5.992 1.00 15.00 C ATOM 30 C GLU A 434 4.095 3.454 -5.053 1.00 15.00 C ATOM 31 O GLU A 434 4.769 2.830 -4.228 1.00 15.00 O ATOM 32 CB GLU A 434 5.848 5.243 -5.239 1.00 15.00 C ATOM 33 CG GLU A 434 7.122 4.435 -5.087 1.00 15.00 C ATOM 34 CD GLU A 434 7.709 3.996 -6.412 1.00 15.00 C ATOM 35 OE1 GLU A 434 7.278 2.950 -6.938 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 8.610 4.688 -6.928 1.00 15.00 O ATOM 0 HA GLU A 434 5.211 3.941 -6.823 1.00 15.00 H new ATOM 0 HB2 GLU A 434 6.070 6.168 -5.771 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.480 5.524 -4.252 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.860 5.030 -4.549 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.916 3.555 -4.478 1.00 15.00 H new ATOM 43 N TRP A 435 2.796 3.238 -5.208 1.00 15.00 N ATOM 44 CA TRP A 435 2.090 2.295 -4.353 1.00 15.00 C ATOM 45 C TRP A 435 2.113 0.899 -4.948 1.00 15.00 C ATOM 46 O TRP A 435 1.528 0.647 -6.000 1.00 15.00 O ATOM 47 CB TRP A 435 0.641 2.720 -4.127 1.00 15.00 C ATOM 48 CG TRP A 435 0.502 3.964 -3.315 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.093 5.183 -3.759 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.775 4.115 -1.916 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.085 6.082 -2.724 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.502 5.453 -1.583 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.222 3.247 -0.914 1.00 15.00 C ATOM 54 CZ2 TRP A 435 0.660 5.946 -0.290 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.378 3.738 0.369 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.098 5.076 0.672 1.00 15.00 C ATOM 0 H TRP A 435 2.215 3.697 -5.910 1.00 15.00 H new ATOM 0 HA TRP A 435 2.608 2.288 -3.394 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.161 2.872 -5.094 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.107 1.910 -3.630 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -0.185 5.409 -4.778 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -0.188 7.062 -2.794 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.441 2.213 -1.138 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.445 6.978 -0.055 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.722 3.078 1.151 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.230 5.429 1.684 1.00 15.00 H new ATOM 67 N THR A 436 2.807 0.004 -4.275 1.00 15.00 N ATOM 68 CA THR A 436 2.842 -1.391 -4.660 1.00 15.00 C ATOM 69 C THR A 436 2.059 -2.213 -3.640 1.00 15.00 C ATOM 70 O THR A 436 2.419 -2.261 -2.462 1.00 15.00 O ATOM 71 CB THR A 436 4.294 -1.891 -4.741 1.00 15.00 C ATOM 72 OG1 THR A 436 5.087 -0.921 -5.443 1.00 15.00 O ATOM 73 CG2 THR A 436 4.374 -3.230 -5.459 1.00 15.00 C ATOM 0 H THR A 436 3.361 0.223 -3.447 1.00 15.00 H new ATOM 0 HA THR A 436 2.388 -1.503 -5.644 1.00 15.00 H new ATOM 0 HB THR A 436 4.673 -2.025 -3.728 1.00 15.00 H new ATOM 0 HG1 THR A 436 6.014 -1.233 -5.496 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.412 -3.559 -5.501 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.781 -3.968 -4.919 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.986 -3.123 -6.472 1.00 15.00 H new ATOM 81 N GLU A 437 0.973 -2.828 -4.084 1.00 15.00 N ATOM 82 CA GLU A 437 0.100 -3.557 -3.182 1.00 15.00 C ATOM 83 C GLU A 437 0.537 -5.011 -3.065 1.00 15.00 C ATOM 84 O GLU A 437 0.782 -5.688 -4.065 1.00 15.00 O ATOM 85 CB GLU A 437 -1.354 -3.481 -3.657 1.00 15.00 C ATOM 86 CG GLU A 437 -1.592 -4.133 -5.007 1.00 15.00 C ATOM 87 CD GLU A 437 -3.050 -4.112 -5.415 1.00 15.00 C ATOM 88 OE1 GLU A 437 -3.850 -4.866 -4.820 1.00 15.00 O ATOM 89 OE2 GLU A 437 -3.403 -3.359 -6.344 1.00 15.00 O1- ATOM 0 H GLU A 437 0.678 -2.836 -5.060 1.00 15.00 H new ATOM 0 HA GLU A 437 0.170 -3.093 -2.198 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.994 -3.959 -2.915 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.655 -2.435 -3.711 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.999 -3.619 -5.764 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.242 -5.165 -4.975 1.00 15.00 H new ATOM 96 N ARG A 438 0.631 -5.483 -1.839 1.00 15.00 N ATOM 97 CA ARG A 438 0.966 -6.869 -1.580 1.00 15.00 C ATOM 98 C ARG A 438 -0.152 -7.539 -0.792 1.00 15.00 C ATOM 99 O ARG A 438 -0.457 -7.150 0.338 1.00 15.00 O ATOM 100 CB ARG A 438 2.296 -6.969 -0.828 1.00 15.00 C ATOM 101 CG ARG A 438 2.600 -8.362 -0.296 1.00 15.00 C ATOM 102 CD ARG A 438 2.723 -9.396 -1.401 1.00 15.00 C ATOM 103 NE ARG A 438 2.799 -10.749 -0.852 1.00 15.00 N ATOM 104 CZ ARG A 438 2.493 -11.853 -1.529 1.00 15.00 C ATOM 105 NH1 ARG A 438 2.192 -11.784 -2.819 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 2.521 -13.028 -0.916 1.00 15.00 N ATOM 0 H ARG A 438 0.479 -4.923 -1.000 1.00 15.00 H new ATOM 0 HA ARG A 438 1.077 -7.387 -2.533 1.00 15.00 H new ATOM 0 HB2 ARG A 438 3.102 -6.661 -1.493 1.00 15.00 H new ATOM 0 HB3 ARG A 438 2.285 -6.267 0.006 1.00 15.00 H new ATOM 0 HG2 ARG A 438 3.528 -8.334 0.275 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.811 -8.664 0.393 1.00 15.00 H new ATOM 0 HD2 ARG A 438 1.867 -9.320 -2.071 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.613 -9.192 -1.997 1.00 15.00 H new ATOM 0 HE ARG A 438 3.107 -10.854 0.115 1.00 15.00 H new ATOM 0 HH11 ARG A 438 2.195 -10.882 -3.296 1.00 15.00 H new ATOM 0 HH12 ARG A 438 1.958 -12.633 -3.334 1.00 15.00 H new ATOM 0 HH21 ARG A 438 2.776 -13.083 0.070 1.00 15.00 H new ATOM 0 HH22 ARG A 438 2.287 -13.877 -1.430 1.00 15.00 H new ATOM 120 N LYS A 439 -0.774 -8.531 -1.407 1.00 15.00 N ATOM 121 CA LYS A 439 -1.819 -9.292 -0.750 1.00 15.00 C ATOM 122 C LYS A 439 -1.214 -10.483 -0.023 1.00 15.00 C ATOM 123 O LYS A 439 -0.632 -11.366 -0.649 1.00 15.00 O ATOM 124 CB LYS A 439 -2.851 -9.791 -1.767 1.00 15.00 C ATOM 125 CG LYS A 439 -3.552 -8.690 -2.545 1.00 15.00 C ATOM 126 CD LYS A 439 -4.609 -9.272 -3.472 1.00 15.00 C ATOM 127 CE LYS A 439 -5.365 -8.192 -4.228 1.00 15.00 C ATOM 128 NZ LYS A 439 -4.485 -7.428 -5.153 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.572 -8.827 -2.362 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.317 -8.638 -0.035 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.355 -10.457 -2.472 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -3.602 -10.383 -1.243 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.016 -7.988 -1.852 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -2.821 -8.128 -3.127 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -4.134 -9.947 -4.184 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.313 -9.867 -2.890 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.175 -8.649 -4.796 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.822 -7.506 -3.516 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -4.974 -7.286 -6.060 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -4.259 -6.504 -4.733 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -3.605 -7.959 -5.313 1.00 15.00 H new ATOM 142 N THR A 440 -1.329 -10.498 1.292 1.00 15.00 N ATOM 143 CA THR A 440 -0.857 -11.629 2.069 1.00 15.00 C ATOM 144 C THR A 440 -1.983 -12.645 2.221 1.00 15.00 C ATOM 145 O THR A 440 -3.162 -12.268 2.307 1.00 15.00 O ATOM 146 CB THR A 440 -0.324 -11.199 3.460 1.00 15.00 C ATOM 147 OG1 THR A 440 0.126 -12.344 4.197 1.00 15.00 O ATOM 148 CG2 THR A 440 -1.391 -10.470 4.264 1.00 15.00 C ATOM 0 H THR A 440 -1.742 -9.745 1.842 1.00 15.00 H new ATOM 0 HA THR A 440 -0.022 -12.081 1.534 1.00 15.00 H new ATOM 0 HB THR A 440 0.511 -10.518 3.294 1.00 15.00 H new ATOM 0 HG1 THR A 440 0.462 -12.058 5.072 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.983 -10.183 5.233 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.707 -9.577 3.724 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.248 -11.127 4.411 1.00 15.00 H new ATOM 156 N ALA A 441 -1.618 -13.926 2.263 1.00 15.00 N ATOM 157 CA ALA A 441 -2.590 -15.018 2.299 1.00 15.00 C ATOM 158 C ALA A 441 -3.394 -15.010 3.595 1.00 15.00 C ATOM 159 O ALA A 441 -4.360 -15.763 3.747 1.00 15.00 O ATOM 160 CB ALA A 441 -1.883 -16.351 2.115 1.00 15.00 C ATOM 0 H ALA A 441 -0.646 -14.235 2.273 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.292 -14.872 1.478 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -2.615 -17.158 2.143 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -1.369 -16.361 1.154 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -1.157 -16.491 2.916 1.00 15.00 H new ATOM 166 N ASP A 442 -2.982 -14.160 4.528 1.00 15.00 N ATOM 167 CA ASP A 442 -3.725 -13.932 5.760 1.00 15.00 C ATOM 168 C ASP A 442 -5.085 -13.310 5.454 1.00 15.00 C ATOM 169 O ASP A 442 -6.025 -13.415 6.238 1.00 15.00 O ATOM 170 CB ASP A 442 -2.928 -13.019 6.697 1.00 15.00 C ATOM 171 CG ASP A 442 -3.690 -12.646 7.954 1.00 15.00 C ATOM 172 OD1 ASP A 442 -3.635 -13.414 8.933 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -4.332 -11.572 7.972 1.00 15.00 O ATOM 0 H ASP A 442 -2.126 -13.611 4.452 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.883 -14.892 6.252 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.999 -13.517 6.976 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.654 -12.110 6.162 1.00 15.00 H new ATOM 178 N GLY A 443 -5.181 -12.661 4.302 1.00 15.00 N ATOM 179 CA GLY A 443 -6.414 -12.005 3.923 1.00 15.00 C ATOM 180 C GLY A 443 -6.328 -10.504 4.077 1.00 15.00 C ATOM 181 O GLY A 443 -7.326 -9.840 4.351 1.00 15.00 O ATOM 0 H GLY A 443 -4.425 -12.578 3.623 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.652 -12.250 2.888 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -7.231 -12.386 4.536 1.00 15.00 H new ATOM 185 N LYS A 444 -5.130 -9.964 3.903 1.00 15.00 N ATOM 186 CA LYS A 444 -4.922 -8.526 4.025 1.00 15.00 C ATOM 187 C LYS A 444 -4.122 -8.001 2.843 1.00 15.00 C ATOM 188 O LYS A 444 -3.148 -8.619 2.416 1.00 15.00 O ATOM 189 CB LYS A 444 -4.192 -8.173 5.325 1.00 15.00 C ATOM 190 CG LYS A 444 -4.955 -8.532 6.594 1.00 15.00 C ATOM 191 CD LYS A 444 -4.382 -7.815 7.811 1.00 15.00 C ATOM 192 CE LYS A 444 -2.983 -8.295 8.166 1.00 15.00 C ATOM 193 NZ LYS A 444 -3.005 -9.553 8.956 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.290 -10.496 3.678 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.906 -8.056 4.039 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.230 -8.685 5.337 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.984 -7.103 5.331 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -6.006 -8.267 6.475 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.914 -9.610 6.752 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -4.356 -6.743 7.618 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -5.043 -7.970 8.664 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -2.412 -8.452 7.251 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -2.468 -7.520 8.734 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -2.109 -10.063 8.821 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -3.127 -9.328 9.964 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -3.795 -10.150 8.637 1.00 15.00 H new ATOM 207 N THR A 445 -4.526 -6.853 2.338 1.00 15.00 N ATOM 208 CA THR A 445 -3.830 -6.210 1.238 1.00 15.00 C ATOM 209 C THR A 445 -3.214 -4.896 1.705 1.00 15.00 C ATOM 210 O THR A 445 -3.908 -3.888 1.837 1.00 15.00 O ATOM 211 CB THR A 445 -4.789 -5.948 0.060 1.00 15.00 C ATOM 212 OG1 THR A 445 -5.468 -7.163 -0.289 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.034 -5.416 -1.152 1.00 15.00 C ATOM 0 H THR A 445 -5.341 -6.341 2.675 1.00 15.00 H new ATOM 0 HA THR A 445 -3.039 -6.878 0.898 1.00 15.00 H new ATOM 0 HB THR A 445 -5.515 -5.196 0.369 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.078 -6.993 -1.037 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.734 -5.240 -1.968 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.539 -4.481 -0.891 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.288 -6.146 -1.465 1.00 15.00 H new ATOM 221 N TYR A 446 -1.919 -4.916 1.984 1.00 15.00 N ATOM 222 CA TYR A 446 -1.242 -3.727 2.466 1.00 15.00 C ATOM 223 C TYR A 446 -0.504 -3.039 1.329 1.00 15.00 C ATOM 224 O TYR A 446 0.111 -3.689 0.478 1.00 15.00 O ATOM 225 CB TYR A 446 -0.290 -4.057 3.625 1.00 15.00 C ATOM 226 CG TYR A 446 0.854 -4.994 3.290 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.705 -6.372 3.394 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.091 -4.496 2.899 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.757 -7.227 3.118 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.143 -5.342 2.615 1.00 15.00 C ATOM 231 CZ TYR A 446 2.972 -6.707 2.726 1.00 15.00 C ATOM 232 OH TYR A 446 4.024 -7.551 2.452 1.00 15.00 O ATOM 0 H TYR A 446 -1.322 -5.737 1.885 1.00 15.00 H new ATOM 0 HA TYR A 446 -1.996 -3.040 2.850 1.00 15.00 H new ATOM 0 HB2 TYR A 446 0.128 -3.124 4.004 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.872 -4.498 4.434 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.248 -6.782 3.695 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.231 -3.428 2.816 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.627 -8.295 3.209 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.096 -4.938 2.307 1.00 15.00 H new ATOM 0 HH TYR A 446 4.807 -7.023 2.189 1.00 15.00 H new ATOM 242 N TYR A 447 -0.563 -1.721 1.327 1.00 15.00 N ATOM 243 CA TYR A 447 0.043 -0.930 0.276 1.00 15.00 C ATOM 244 C TYR A 447 1.409 -0.432 0.716 1.00 15.00 C ATOM 245 O TYR A 447 1.533 0.289 1.709 1.00 15.00 O ATOM 246 CB TYR A 447 -0.865 0.244 -0.092 1.00 15.00 C ATOM 247 CG TYR A 447 -2.213 -0.185 -0.630 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.250 -0.527 0.231 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.447 -0.254 -1.997 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.479 -0.923 -0.254 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.675 -0.651 -2.490 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.687 -0.985 -1.616 1.00 15.00 C ATOM 253 OH TYR A 447 -5.912 -1.381 -2.102 1.00 15.00 O ATOM 0 H TYR A 447 -1.029 -1.172 2.049 1.00 15.00 H new ATOM 0 HA TYR A 447 0.172 -1.556 -0.607 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.015 0.868 0.789 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.364 0.861 -0.838 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.090 -0.482 1.298 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.657 0.007 -2.685 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.274 -1.183 0.429 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.841 -0.699 -3.556 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.894 -1.370 -3.082 1.00 15.00 H new ATOM 263 N TYR A 448 2.432 -0.841 -0.010 1.00 15.00 N ATOM 264 CA TYR A 448 3.788 -0.429 0.283 1.00 15.00 C ATOM 265 C TYR A 448 4.248 0.617 -0.722 1.00 15.00 C ATOM 266 O TYR A 448 4.282 0.365 -1.927 1.00 15.00 O ATOM 267 CB TYR A 448 4.726 -1.640 0.262 1.00 15.00 C ATOM 268 CG TYR A 448 6.191 -1.285 0.413 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.720 -0.942 1.650 1.00 15.00 C ATOM 270 CD2 TYR A 448 7.039 -1.289 -0.686 1.00 15.00 C ATOM 271 CE1 TYR A 448 8.056 -0.616 1.788 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.376 -0.965 -0.556 1.00 15.00 C ATOM 273 CZ TYR A 448 8.880 -0.628 0.681 1.00 15.00 C ATOM 274 OH TYR A 448 10.211 -0.303 0.812 1.00 15.00 O ATOM 0 H TYR A 448 2.346 -1.464 -0.813 1.00 15.00 H new ATOM 0 HA TYR A 448 3.813 0.012 1.280 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.443 -2.321 1.065 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.588 -2.178 -0.676 1.00 15.00 H new ATOM 0 HD1 TYR A 448 6.077 -0.930 2.518 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.648 -1.550 -1.658 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.453 -0.353 2.757 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.023 -0.976 -1.421 1.00 15.00 H new ATOM 0 HH TYR A 448 10.650 -0.362 -0.062 1.00 15.00 H new ATOM 284 N ASN A 449 4.589 1.789 -0.222 1.00 15.00 N ATOM 285 CA ASN A 449 5.116 2.844 -1.065 1.00 15.00 C ATOM 286 C ASN A 449 6.626 2.720 -1.127 1.00 15.00 C ATOM 287 O ASN A 449 7.302 2.859 -0.111 1.00 15.00 O ATOM 288 CB ASN A 449 4.745 4.218 -0.517 1.00 15.00 C ATOM 289 CG ASN A 449 4.969 5.307 -1.542 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.083 5.807 -1.711 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.908 5.688 -2.227 1.00 15.00 N ATOM 0 H ASN A 449 4.510 2.035 0.765 1.00 15.00 H new ATOM 0 HA ASN A 449 4.685 2.743 -2.061 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.699 4.217 -0.209 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.339 4.428 0.373 1.00 15.00 H new ATOM 0 HD21 ASN A 449 3.991 6.424 -2.929 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.004 5.247 -2.055 1.00 15.00 H new ATOM 298 N ASN A 450 7.147 2.463 -2.314 1.00 15.00 N ATOM 299 CA ASN A 450 8.568 2.169 -2.485 1.00 15.00 C ATOM 300 C ASN A 450 9.420 3.444 -2.460 1.00 15.00 C ATOM 301 O ASN A 450 10.640 3.384 -2.307 1.00 15.00 O ATOM 302 CB ASN A 450 8.782 1.396 -3.794 1.00 15.00 C ATOM 303 CG ASN A 450 10.228 0.999 -4.033 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.982 1.714 -4.696 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.625 -0.145 -3.496 1.00 15.00 N ATOM 0 H ASN A 450 6.608 2.451 -3.180 1.00 15.00 H new ATOM 0 HA ASN A 450 8.892 1.552 -1.646 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.164 0.498 -3.782 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.439 2.008 -4.628 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.586 -0.463 -3.625 1.00 15.00 H new ATOM 0 HD22 ASN A 450 9.970 -0.708 -2.954 1.00 15.00 H new ATOM 312 N ARG A 451 8.779 4.596 -2.599 1.00 15.00 N ATOM 313 CA ARG A 451 9.505 5.857 -2.659 1.00 15.00 C ATOM 314 C ARG A 451 9.628 6.495 -1.278 1.00 15.00 C ATOM 315 O ARG A 451 10.587 7.216 -0.999 1.00 15.00 O ATOM 316 CB ARG A 451 8.861 6.819 -3.679 1.00 15.00 C ATOM 317 CG ARG A 451 9.302 8.269 -3.528 1.00 15.00 C ATOM 318 CD ARG A 451 9.018 9.086 -4.778 1.00 15.00 C ATOM 319 NE ARG A 451 7.592 9.149 -5.101 1.00 15.00 N ATOM 320 CZ ARG A 451 7.110 9.762 -6.184 1.00 15.00 C ATOM 321 NH1 ARG A 451 7.941 10.347 -7.042 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 5.802 9.792 -6.411 1.00 15.00 N ATOM 0 H ARG A 451 7.765 4.684 -2.672 1.00 15.00 H new ATOM 0 HA ARG A 451 10.517 5.644 -3.004 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.103 6.479 -4.686 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.777 6.767 -3.577 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.788 8.717 -2.678 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.369 8.302 -3.309 1.00 15.00 H new ATOM 0 HD2 ARG A 451 9.400 10.098 -4.640 1.00 15.00 H new ATOM 0 HD3 ARG A 451 9.558 8.653 -5.620 1.00 15.00 H new ATOM 0 HE ARG A 451 6.932 8.701 -4.465 1.00 15.00 H new ATOM 0 HH11 ARG A 451 8.947 10.327 -6.872 1.00 15.00 H new ATOM 0 HH12 ARG A 451 7.573 10.816 -7.870 1.00 15.00 H new ATOM 0 HH21 ARG A 451 5.160 9.345 -5.756 1.00 15.00 H new ATOM 0 HH22 ARG A 451 5.439 10.262 -7.240 1.00 15.00 H new ATOM 336 N THR A 452 8.660 6.239 -0.419 1.00 15.00 N ATOM 337 CA THR A 452 8.722 6.743 0.945 1.00 15.00 C ATOM 338 C THR A 452 8.943 5.611 1.948 1.00 15.00 C ATOM 339 O THR A 452 9.119 5.859 3.140 1.00 15.00 O ATOM 340 CB THR A 452 7.445 7.523 1.308 1.00 15.00 C ATOM 341 OG1 THR A 452 6.286 6.721 1.050 1.00 15.00 O ATOM 342 CG2 THR A 452 7.360 8.814 0.509 1.00 15.00 C ATOM 0 H THR A 452 7.828 5.691 -0.635 1.00 15.00 H new ATOM 0 HA THR A 452 9.573 7.422 0.998 1.00 15.00 H new ATOM 0 HB THR A 452 7.485 7.768 2.369 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.480 7.226 1.286 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.451 9.350 0.780 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.228 9.436 0.729 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.341 8.582 -0.556 1.00 15.00 H new ATOM 350 N LEU A 453 8.941 4.371 1.445 1.00 15.00 N ATOM 351 CA LEU A 453 9.117 3.171 2.275 1.00 15.00 C ATOM 352 C LEU A 453 7.969 3.022 3.271 1.00 15.00 C ATOM 353 O LEU A 453 8.091 2.330 4.283 1.00 15.00 O ATOM 354 CB LEU A 453 10.463 3.201 3.014 1.00 15.00 C ATOM 355 CG LEU A 453 11.676 2.718 2.206 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.935 3.616 1.005 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.908 2.652 3.093 1.00 15.00 C ATOM 0 H LEU A 453 8.818 4.170 0.453 1.00 15.00 H new ATOM 0 HA LEU A 453 9.111 2.307 1.610 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.653 4.222 3.344 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.378 2.587 3.910 1.00 15.00 H new ATOM 0 HG LEU A 453 11.454 1.718 1.833 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.800 3.247 0.454 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.061 3.613 0.353 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.129 4.633 1.346 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.760 2.308 2.507 1.00 15.00 H new ATOM 0 HD22 LEU A 453 13.120 3.643 3.495 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.728 1.958 3.914 1.00 15.00 H new ATOM 369 N GLU A 454 6.832 3.615 2.935 1.00 15.00 N ATOM 370 CA GLU A 454 5.685 3.649 3.837 1.00 15.00 C ATOM 371 C GLU A 454 4.749 2.476 3.583 1.00 15.00 C ATOM 372 O GLU A 454 4.213 2.325 2.489 1.00 15.00 O ATOM 373 CB GLU A 454 4.919 4.964 3.677 1.00 15.00 C ATOM 374 CG GLU A 454 5.668 6.173 4.204 1.00 15.00 C ATOM 375 CD GLU A 454 5.918 6.089 5.693 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.995 6.413 6.470 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 7.031 5.695 6.095 1.00 15.00 O ATOM 0 H GLU A 454 6.677 4.081 2.041 1.00 15.00 H new ATOM 0 HA GLU A 454 6.063 3.574 4.857 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.695 5.118 2.621 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.964 4.884 4.197 1.00 15.00 H new ATOM 0 HG2 GLU A 454 6.621 6.263 3.682 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.098 7.075 3.984 1.00 15.00 H new ATOM 384 N SER A 455 4.554 1.650 4.598 1.00 15.00 N ATOM 385 CA SER A 455 3.641 0.527 4.494 1.00 15.00 C ATOM 386 C SER A 455 2.370 0.824 5.279 1.00 15.00 C ATOM 387 O SER A 455 2.407 1.014 6.495 1.00 15.00 O ATOM 388 CB SER A 455 4.306 -0.751 5.013 1.00 15.00 C ATOM 389 OG SER A 455 3.494 -1.894 4.785 1.00 15.00 O ATOM 0 H SER A 455 5.017 1.737 5.503 1.00 15.00 H new ATOM 0 HA SER A 455 3.382 0.375 3.446 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.270 -0.885 4.522 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.503 -0.651 6.080 1.00 15.00 H new ATOM 0 HG SER A 455 3.949 -2.692 5.127 1.00 15.00 H new ATOM 395 N THR A 456 1.252 0.882 4.577 1.00 15.00 N ATOM 396 CA THR A 456 -0.021 1.190 5.204 1.00 15.00 C ATOM 397 C THR A 456 -1.022 0.061 4.980 1.00 15.00 C ATOM 398 O THR A 456 -0.979 -0.633 3.961 1.00 15.00 O ATOM 399 CB THR A 456 -0.600 2.526 4.675 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.858 2.809 5.301 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.778 2.493 3.163 1.00 15.00 C ATOM 0 H THR A 456 1.200 0.720 3.571 1.00 15.00 H new ATOM 0 HA THR A 456 0.157 1.295 6.274 1.00 15.00 H new ATOM 0 HB THR A 456 0.112 3.314 4.921 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.211 3.657 4.958 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.186 3.445 2.824 1.00 15.00 H new ATOM 0 HG22 THR A 456 0.187 2.321 2.687 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.463 1.689 2.895 1.00 15.00 H new ATOM 409 N TRP A 457 -1.910 -0.128 5.949 1.00 15.00 N ATOM 410 CA TRP A 457 -2.959 -1.133 5.843 1.00 15.00 C ATOM 411 C TRP A 457 -4.225 -0.494 5.290 1.00 15.00 C ATOM 412 O TRP A 457 -5.244 -1.158 5.093 1.00 15.00 O ATOM 413 CB TRP A 457 -3.247 -1.751 7.214 1.00 15.00 C ATOM 414 CG TRP A 457 -2.058 -2.428 7.827 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.252 -1.933 8.813 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.539 -3.720 7.495 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.262 -2.838 9.111 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.416 -3.943 8.315 1.00 15.00 C ATOM 419 CE3 TRP A 457 -1.913 -4.709 6.581 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.332 -5.116 8.250 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.169 -5.872 6.518 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.057 -6.067 7.347 1.00 15.00 C ATOM 0 H TRP A 457 -1.924 0.404 6.819 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.625 -1.921 5.168 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.599 -0.971 7.889 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.056 -2.475 7.115 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.375 -0.971 9.289 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.469 -2.709 9.811 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.767 -4.567 5.936 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.189 -5.269 8.890 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.450 -6.644 5.817 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.504 -6.987 7.272 1.00 15.00 H new ATOM 433 N GLU A 458 -4.141 0.803 5.047 1.00 15.00 N ATOM 434 CA GLU A 458 -5.268 1.577 4.563 1.00 15.00 C ATOM 435 C GLU A 458 -5.127 1.824 3.071 1.00 15.00 C ATOM 436 O GLU A 458 -4.014 1.900 2.552 1.00 15.00 O ATOM 437 CB GLU A 458 -5.318 2.914 5.296 1.00 15.00 C ATOM 438 CG GLU A 458 -5.401 2.778 6.804 1.00 15.00 C ATOM 439 CD GLU A 458 -5.210 4.101 7.506 1.00 15.00 C ATOM 440 OE1 GLU A 458 -6.176 4.887 7.579 1.00 15.00 O ATOM 441 OE2 GLU A 458 -4.093 4.365 7.989 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.289 1.348 5.180 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.188 1.022 4.748 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -4.430 3.492 5.040 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.180 3.480 4.943 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.370 2.360 7.077 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -4.643 2.074 7.146 1.00 15.00 H new ATOM 448 N LYS A 459 -6.250 1.971 2.388 1.00 15.00 N ATOM 449 CA LYS A 459 -6.228 2.284 0.971 1.00 15.00 C ATOM 450 C LYS A 459 -5.981 3.773 0.774 1.00 15.00 C ATOM 451 O LYS A 459 -6.764 4.609 1.234 1.00 15.00 O ATOM 452 CB LYS A 459 -7.533 1.860 0.296 1.00 15.00 C ATOM 453 CG LYS A 459 -7.773 0.360 0.346 1.00 15.00 C ATOM 454 CD LYS A 459 -9.079 -0.025 -0.327 1.00 15.00 C ATOM 455 CE LYS A 459 -9.378 -1.511 -0.171 1.00 15.00 C ATOM 456 NZ LYS A 459 -8.326 -2.369 -0.778 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.183 1.879 2.790 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.416 1.726 0.505 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.366 2.371 0.778 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.519 2.185 -0.744 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -6.947 -0.157 -0.142 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.788 0.029 1.384 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.895 0.557 0.102 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.030 0.227 -1.386 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.472 -1.751 0.888 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -10.338 -1.736 -0.635 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.764 -3.033 -1.448 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.639 -1.772 -1.281 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -7.839 -2.902 -0.030 1.00 15.00 H new ATOM 470 N PRO A 460 -4.869 4.113 0.108 1.00 15.00 N ATOM 471 CA PRO A 460 -4.481 5.501 -0.164 1.00 15.00 C ATOM 472 C PRO A 460 -5.534 6.241 -0.972 1.00 15.00 C ATOM 473 O PRO A 460 -6.306 5.633 -1.714 1.00 15.00 O ATOM 474 CB PRO A 460 -3.189 5.361 -0.978 1.00 15.00 C ATOM 475 CG PRO A 460 -2.679 4.002 -0.655 1.00 15.00 C ATOM 476 CD PRO A 460 -3.894 3.156 -0.437 1.00 15.00 C ATOM 0 HA PRO A 460 -4.361 6.077 0.753 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.381 5.467 -2.046 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.465 6.130 -0.706 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.069 3.609 -1.468 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.050 4.021 0.235 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.245 2.707 -1.366 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.698 2.339 0.258 1.00 15.00 H new ATOM 484 N GLN A 461 -5.524 7.560 -0.853 1.00 15.00 N ATOM 485 CA GLN A 461 -6.501 8.416 -1.522 1.00 15.00 C ATOM 486 C GLN A 461 -6.426 8.264 -3.045 1.00 15.00 C ATOM 487 O GLN A 461 -7.339 8.663 -3.770 1.00 15.00 O ATOM 488 CB GLN A 461 -6.274 9.878 -1.123 1.00 15.00 C ATOM 489 CG GLN A 461 -7.355 10.831 -1.608 1.00 15.00 C ATOM 490 CD GLN A 461 -8.726 10.476 -1.067 1.00 15.00 C ATOM 491 OE1 GLN A 461 -8.855 9.935 0.033 1.00 15.00 O ATOM 492 NE2 GLN A 461 -9.761 10.774 -1.834 1.00 15.00 N ATOM 0 H GLN A 461 -4.841 8.070 -0.292 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.497 8.107 -1.205 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.211 9.941 -0.037 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.312 10.206 -1.518 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.101 11.847 -1.307 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.383 10.819 -2.698 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -9.613 11.222 -2.738 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -10.707 10.556 -1.521 1.00 15.00 H new ATOM 501 N GLU A 462 -5.323 7.717 -3.531 1.00 15.00 N ATOM 502 CA GLU A 462 -5.170 7.453 -4.951 1.00 15.00 C ATOM 503 C GLU A 462 -6.034 6.265 -5.386 1.00 15.00 C ATOM 504 O GLU A 462 -6.408 6.155 -6.556 1.00 15.00 O ATOM 505 CB GLU A 462 -3.700 7.198 -5.313 1.00 15.00 C ATOM 506 CG GLU A 462 -2.774 8.382 -5.052 1.00 15.00 C ATOM 507 CD GLU A 462 -2.180 8.392 -3.653 1.00 15.00 C ATOM 508 OE1 GLU A 462 -2.944 8.456 -2.669 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -0.936 8.339 -3.537 1.00 15.00 O ATOM 0 H GLU A 462 -4.521 7.447 -2.962 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.507 8.341 -5.486 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.342 6.340 -4.745 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.639 6.930 -6.368 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.964 8.367 -5.782 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -3.328 9.308 -5.209 1.00 15.00 H new ATOM 516 N LEU A 463 -6.351 5.378 -4.446 1.00 15.00 N ATOM 517 CA LEU A 463 -7.128 4.178 -4.759 1.00 15.00 C ATOM 518 C LEU A 463 -8.529 4.259 -4.166 1.00 15.00 C ATOM 519 O LEU A 463 -9.457 3.617 -4.661 1.00 15.00 O ATOM 520 CB LEU A 463 -6.442 2.900 -4.243 1.00 15.00 C ATOM 521 CG LEU A 463 -5.064 2.569 -4.836 1.00 15.00 C ATOM 522 CD1 LEU A 463 -5.055 2.760 -6.346 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.974 3.394 -4.171 1.00 15.00 C ATOM 0 H LEU A 463 -6.084 5.465 -3.465 1.00 15.00 H new ATOM 0 HA LEU A 463 -7.194 4.128 -5.846 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -6.336 2.984 -3.161 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -7.106 2.057 -4.434 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.857 1.518 -4.635 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -4.067 2.518 -6.737 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -5.796 2.102 -6.800 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -5.296 3.796 -6.583 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.008 3.141 -4.608 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.175 4.454 -4.324 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.956 3.179 -3.103 1.00 15.00 H new ATOM 535 N LYS A 464 -8.669 5.024 -3.092 1.00 15.00 N ATOM 536 CA LYS A 464 -9.939 5.145 -2.392 1.00 15.00 C ATOM 537 C LYS A 464 -10.684 6.384 -2.875 1.00 15.00 C ATOM 538 O LYS A 464 -11.631 6.237 -3.676 1.00 15.00 O ATOM 539 CB LYS A 464 -9.687 5.198 -0.874 1.00 15.00 C ATOM 540 CG LYS A 464 -10.935 5.071 0.000 1.00 15.00 C ATOM 541 CD LYS A 464 -11.544 6.425 0.337 1.00 15.00 C ATOM 542 CE LYS A 464 -12.803 6.695 -0.470 1.00 15.00 C ATOM 543 NZ LYS A 464 -13.344 8.056 -0.219 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.306 7.501 -2.474 1.00 15.00 O ATOM 0 H LYS A 464 -7.912 5.573 -2.685 1.00 15.00 H new ATOM 0 HA LYS A 464 -10.562 4.276 -2.606 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.995 4.399 -0.609 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.192 6.140 -0.637 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.676 4.460 -0.515 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.678 4.551 0.923 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.779 6.463 1.401 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -10.813 7.210 0.144 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -12.584 6.582 -1.532 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -13.560 5.952 -0.220 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -14.202 8.199 -0.789 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -13.577 8.156 0.790 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -12.632 8.767 -0.482 1.00 15.00 H new