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= 1.36 K(o=1.3,f=-12!) USER MOD Set 1.2: A 452 THR OG1 : rot -59:sc= -0.0936 USER MOD Single : A 436 THR OG1 : rot -14:sc= 0.217 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 137:sc= 1.21 (180deg=0.885) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 180:sc= -1.57! USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 165:sc= -0.0656 USER MOD Single : A 450 ASN : amide:sc= 0.387 X(o=0.39,f=-0.041) USER MOD Single : A 455 SER OG : rot 40:sc= 0.222 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 459 LYS NZ :NH3+ -169:sc= 2.25 (180deg=1.18) USER MOD Single : A 461 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.3) USER MOD Single : A 464 LYS NZ :NH3+ -169:sc= -1.38! (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.972 5.423 -6.057 1.00 15.00 N ATOM 29 CA GLU A 434 4.848 4.330 -5.643 1.00 15.00 C ATOM 30 C GLU A 434 4.122 3.373 -4.701 1.00 15.00 C ATOM 31 O GLU A 434 4.753 2.648 -3.929 1.00 15.00 O ATOM 32 CB GLU A 434 6.095 4.881 -4.945 1.00 15.00 C ATOM 33 CG GLU A 434 7.350 4.828 -5.802 1.00 15.00 C ATOM 34 CD GLU A 434 7.357 5.859 -6.913 1.00 15.00 C ATOM 35 OE1 GLU A 434 6.680 5.645 -7.934 1.00 15.00 O ATOM 36 OE2 GLU A 434 8.062 6.882 -6.769 1.00 15.00 O1- ATOM 0 HA GLU A 434 5.144 3.784 -6.539 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.910 5.914 -4.652 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.267 4.316 -4.029 1.00 15.00 H new ATOM 0 HG2 GLU A 434 8.223 4.981 -5.167 1.00 15.00 H new ATOM 0 HG3 GLU A 434 7.443 3.833 -6.237 1.00 15.00 H new ATOM 43 N TRP A 435 2.802 3.337 -4.802 1.00 15.00 N ATOM 44 CA TRP A 435 2.001 2.483 -3.944 1.00 15.00 C ATOM 45 C TRP A 435 1.816 1.118 -4.589 1.00 15.00 C ATOM 46 O TRP A 435 1.070 0.967 -5.556 1.00 15.00 O ATOM 47 CB TRP A 435 0.630 3.110 -3.659 1.00 15.00 C ATOM 48 CG TRP A 435 0.696 4.367 -2.845 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.601 5.649 -3.303 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.862 4.459 -1.425 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.711 6.532 -2.258 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.870 5.827 -1.094 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.006 3.518 -0.402 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.020 6.276 0.216 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.152 3.964 0.897 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.158 5.332 1.196 1.00 15.00 C ATOM 0 H TRP A 435 2.265 3.890 -5.470 1.00 15.00 H new ATOM 0 HA TRP A 435 2.530 2.369 -2.998 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.137 3.327 -4.606 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.010 2.382 -3.136 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.460 5.928 -4.337 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.679 7.549 -2.335 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.003 2.461 -0.623 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.027 7.330 0.449 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.263 3.246 1.696 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.274 5.648 2.222 1.00 15.00 H new ATOM 67 N THR A 436 2.544 0.144 -4.074 1.00 15.00 N ATOM 68 CA THR A 436 2.438 -1.225 -4.531 1.00 15.00 C ATOM 69 C THR A 436 1.624 -2.037 -3.534 1.00 15.00 C ATOM 70 O THR A 436 1.939 -2.074 -2.343 1.00 15.00 O ATOM 71 CB THR A 436 3.830 -1.868 -4.722 1.00 15.00 C ATOM 72 OG1 THR A 436 4.615 -1.737 -3.528 1.00 15.00 O ATOM 73 CG2 THR A 436 4.564 -1.220 -5.886 1.00 15.00 C ATOM 0 H THR A 436 3.225 0.282 -3.327 1.00 15.00 H new ATOM 0 HA THR A 436 1.936 -1.221 -5.499 1.00 15.00 H new ATOM 0 HB THR A 436 3.684 -2.926 -4.938 1.00 15.00 H new ATOM 0 HG1 THR A 436 4.193 -1.087 -2.929 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.542 -1.686 -6.004 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.986 -1.353 -6.800 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.691 -0.156 -5.689 1.00 15.00 H new ATOM 81 N GLU A 437 0.561 -2.653 -4.013 1.00 15.00 N ATOM 82 CA GLU A 437 -0.311 -3.436 -3.155 1.00 15.00 C ATOM 83 C GLU A 437 0.149 -4.885 -3.099 1.00 15.00 C ATOM 84 O GLU A 437 0.151 -5.599 -4.106 1.00 15.00 O ATOM 85 CB GLU A 437 -1.750 -3.353 -3.652 1.00 15.00 C ATOM 86 CG GLU A 437 -1.883 -3.682 -5.120 1.00 15.00 C ATOM 87 CD GLU A 437 -3.271 -3.422 -5.654 1.00 15.00 C ATOM 88 OE1 GLU A 437 -3.573 -2.261 -5.989 1.00 15.00 O ATOM 89 OE2 GLU A 437 -4.065 -4.380 -5.741 1.00 15.00 O1- ATOM 0 H GLU A 437 0.279 -2.627 -4.993 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.264 -3.025 -2.147 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.369 -4.038 -3.073 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.134 -2.349 -3.473 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -1.164 -3.091 -5.687 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.628 -4.730 -5.277 1.00 15.00 H new ATOM 96 N ARG A 438 0.551 -5.304 -1.920 1.00 15.00 N ATOM 97 CA ARG A 438 0.967 -6.677 -1.704 1.00 15.00 C ATOM 98 C ARG A 438 -0.149 -7.448 -1.021 1.00 15.00 C ATOM 99 O ARG A 438 -0.504 -7.169 0.126 1.00 15.00 O ATOM 100 CB ARG A 438 2.244 -6.741 -0.865 1.00 15.00 C ATOM 101 CG ARG A 438 2.754 -8.157 -0.647 1.00 15.00 C ATOM 102 CD ARG A 438 4.032 -8.160 0.167 1.00 15.00 C ATOM 103 NE ARG A 438 4.546 -9.511 0.395 1.00 15.00 N ATOM 104 CZ ARG A 438 5.686 -9.763 1.037 1.00 15.00 C ATOM 105 NH1 ARG A 438 6.406 -8.762 1.525 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 6.103 -11.008 1.196 1.00 15.00 N ATOM 0 H ARG A 438 0.600 -4.712 -1.091 1.00 15.00 H new ATOM 0 HA ARG A 438 1.180 -7.129 -2.673 1.00 15.00 H new ATOM 0 HB2 ARG A 438 3.021 -6.154 -1.355 1.00 15.00 H new ATOM 0 HB3 ARG A 438 2.057 -6.277 0.103 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.993 -8.746 -0.135 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.932 -8.634 -1.610 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.789 -7.569 -0.348 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.849 -7.677 1.127 1.00 15.00 H new ATOM 0 HE ARG A 438 4.004 -10.300 0.044 1.00 15.00 H new ATOM 0 HH11 ARG A 438 6.087 -7.800 1.409 1.00 15.00 H new ATOM 0 HH12 ARG A 438 7.279 -8.954 2.017 1.00 15.00 H new ATOM 0 HH21 ARG A 438 5.551 -11.782 0.826 1.00 15.00 H new ATOM 0 HH22 ARG A 438 6.977 -11.194 1.688 1.00 15.00 H new ATOM 120 N LYS A 439 -0.715 -8.397 -1.743 1.00 15.00 N ATOM 121 CA LYS A 439 -1.801 -9.202 -1.222 1.00 15.00 C ATOM 122 C LYS A 439 -1.236 -10.459 -0.585 1.00 15.00 C ATOM 123 O LYS A 439 -0.781 -11.368 -1.279 1.00 15.00 O ATOM 124 CB LYS A 439 -2.781 -9.545 -2.348 1.00 15.00 C ATOM 125 CG LYS A 439 -3.108 -8.348 -3.224 1.00 15.00 C ATOM 126 CD LYS A 439 -4.111 -8.680 -4.315 1.00 15.00 C ATOM 127 CE LYS A 439 -4.242 -7.520 -5.286 1.00 15.00 C ATOM 128 NZ LYS A 439 -5.301 -7.738 -6.303 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.438 -8.629 -2.697 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.344 -8.642 -0.461 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.356 -10.337 -2.965 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -3.702 -9.937 -1.916 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.505 -7.545 -2.603 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -2.191 -7.975 -3.680 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -3.793 -9.575 -4.849 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.081 -8.901 -3.870 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.461 -6.609 -4.729 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -3.288 -7.364 -5.789 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -5.346 -6.916 -6.939 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.081 -8.591 -6.856 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.218 -7.860 -5.828 1.00 15.00 H new ATOM 142 N THR A 440 -1.220 -10.489 0.737 1.00 15.00 N ATOM 143 CA THR A 440 -0.606 -11.590 1.451 1.00 15.00 C ATOM 144 C THR A 440 -1.622 -12.694 1.718 1.00 15.00 C ATOM 145 O THR A 440 -2.818 -12.427 1.893 1.00 15.00 O ATOM 146 CB THR A 440 0.040 -11.119 2.776 1.00 15.00 C ATOM 147 OG1 THR A 440 0.727 -12.205 3.406 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.998 -10.550 3.734 1.00 15.00 C ATOM 0 H THR A 440 -1.624 -9.766 1.333 1.00 15.00 H new ATOM 0 HA THR A 440 0.186 -11.990 0.817 1.00 15.00 H new ATOM 0 HB THR A 440 0.750 -10.329 2.532 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.133 -11.894 4.242 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.508 -10.230 4.653 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.492 -9.697 3.270 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.738 -11.316 3.965 1.00 15.00 H new ATOM 156 N ALA A 441 -1.134 -13.934 1.760 1.00 15.00 N ATOM 157 CA ALA A 441 -1.987 -15.105 1.944 1.00 15.00 C ATOM 158 C ALA A 441 -2.652 -15.093 3.314 1.00 15.00 C ATOM 159 O ALA A 441 -3.581 -15.857 3.572 1.00 15.00 O ATOM 160 CB ALA A 441 -1.182 -16.380 1.754 1.00 15.00 C ATOM 0 H ALA A 441 -0.142 -14.153 1.668 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.774 -15.071 1.190 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.831 -17.244 1.894 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.764 -16.400 0.748 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.373 -16.412 2.484 1.00 15.00 H new ATOM 166 N ASP A 442 -2.173 -14.205 4.181 1.00 15.00 N ATOM 167 CA ASP A 442 -2.771 -13.995 5.496 1.00 15.00 C ATOM 168 C ASP A 442 -4.193 -13.442 5.349 1.00 15.00 C ATOM 169 O ASP A 442 -4.965 -13.403 6.306 1.00 15.00 O ATOM 170 CB ASP A 442 -1.892 -13.039 6.317 1.00 15.00 C ATOM 171 CG ASP A 442 -2.421 -12.768 7.712 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.382 -13.680 8.561 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -2.860 -11.630 7.975 1.00 15.00 O ATOM 0 H ASP A 442 -1.364 -13.614 3.993 1.00 15.00 H new ATOM 0 HA ASP A 442 -2.832 -14.948 6.021 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.889 -13.458 6.394 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.802 -12.093 5.782 1.00 15.00 H new ATOM 178 N GLY A 443 -4.527 -13.013 4.133 1.00 15.00 N ATOM 179 CA GLY A 443 -5.866 -12.538 3.843 1.00 15.00 C ATOM 180 C GLY A 443 -5.965 -11.033 3.920 1.00 15.00 C ATOM 181 O GLY A 443 -7.038 -10.486 4.177 1.00 15.00 O ATOM 0 H GLY A 443 -3.887 -12.987 3.339 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.160 -12.870 2.847 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.569 -12.983 4.547 1.00 15.00 H new ATOM 185 N LYS A 444 -4.849 -10.359 3.684 1.00 15.00 N ATOM 186 CA LYS A 444 -4.799 -8.909 3.807 1.00 15.00 C ATOM 187 C LYS A 444 -4.036 -8.292 2.644 1.00 15.00 C ATOM 188 O LYS A 444 -3.014 -8.821 2.205 1.00 15.00 O ATOM 189 CB LYS A 444 -4.132 -8.506 5.126 1.00 15.00 C ATOM 190 CG LYS A 444 -4.872 -8.979 6.368 1.00 15.00 C ATOM 191 CD LYS A 444 -4.155 -8.551 7.641 1.00 15.00 C ATOM 192 CE LYS A 444 -4.895 -9.007 8.890 1.00 15.00 C ATOM 193 NZ LYS A 444 -5.027 -10.487 8.953 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.968 -10.791 3.407 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.824 -8.537 3.793 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.119 -8.907 5.145 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.045 -7.420 5.160 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.884 -8.575 6.366 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.962 -10.065 6.348 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -3.146 -8.964 7.646 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -4.055 -7.466 7.654 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.365 -8.653 9.774 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.886 -8.554 8.909 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -4.828 -10.812 9.921 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -5.995 -10.761 8.688 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -4.351 -10.924 8.295 1.00 15.00 H new ATOM 207 N THR A 445 -4.532 -7.170 2.158 1.00 15.00 N ATOM 208 CA THR A 445 -3.865 -6.433 1.103 1.00 15.00 C ATOM 209 C THR A 445 -3.412 -5.074 1.624 1.00 15.00 C ATOM 210 O THR A 445 -4.213 -4.148 1.750 1.00 15.00 O ATOM 211 CB THR A 445 -4.792 -6.239 -0.113 1.00 15.00 C ATOM 212 OG1 THR A 445 -5.288 -7.514 -0.546 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.058 -5.556 -1.260 1.00 15.00 C ATOM 0 H THR A 445 -5.402 -6.747 2.481 1.00 15.00 H new ATOM 0 HA THR A 445 -2.997 -7.011 0.784 1.00 15.00 H new ATOM 0 HB THR A 445 -5.623 -5.601 0.187 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.879 -7.390 -1.318 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.737 -5.432 -2.104 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.703 -4.579 -0.934 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.209 -6.168 -1.564 1.00 15.00 H new ATOM 221 N TYR A 446 -2.135 -4.968 1.957 1.00 15.00 N ATOM 222 CA TYR A 446 -1.599 -3.721 2.477 1.00 15.00 C ATOM 223 C TYR A 446 -0.850 -2.983 1.379 1.00 15.00 C ATOM 224 O TYR A 446 -0.121 -3.587 0.585 1.00 15.00 O ATOM 225 CB TYR A 446 -0.694 -3.971 3.695 1.00 15.00 C ATOM 226 CG TYR A 446 0.655 -4.587 3.388 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.790 -5.947 3.130 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.801 -3.801 3.382 1.00 15.00 C ATOM 229 CE1 TYR A 446 2.031 -6.502 2.872 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.040 -4.348 3.121 1.00 15.00 C ATOM 231 CZ TYR A 446 3.152 -5.696 2.868 1.00 15.00 C ATOM 232 OH TYR A 446 4.391 -6.243 2.618 1.00 15.00 O ATOM 0 H TYR A 446 -1.455 -5.724 1.877 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.428 -3.098 2.812 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.533 -3.022 4.207 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.222 -4.623 4.391 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.086 -6.579 3.131 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.720 -2.743 3.585 1.00 15.00 H new ATOM 0 HE1 TYR A 446 2.122 -7.560 2.675 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.919 -3.721 3.115 1.00 15.00 H new ATOM 0 HH TYR A 446 5.072 -5.539 2.651 1.00 15.00 H new ATOM 242 N TYR A 447 -1.027 -1.677 1.342 1.00 15.00 N ATOM 243 CA TYR A 447 -0.430 -0.863 0.305 1.00 15.00 C ATOM 244 C TYR A 447 0.900 -0.301 0.778 1.00 15.00 C ATOM 245 O TYR A 447 0.964 0.469 1.740 1.00 15.00 O ATOM 246 CB TYR A 447 -1.397 0.249 -0.106 1.00 15.00 C ATOM 247 CG TYR A 447 -2.710 -0.284 -0.642 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.754 -0.616 0.216 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.903 -0.465 -2.005 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.950 -1.110 -0.272 1.00 15.00 C ATOM 251 CE2 TYR A 447 -4.097 -0.958 -2.499 1.00 15.00 C ATOM 252 CZ TYR A 447 -5.116 -1.278 -1.629 1.00 15.00 C ATOM 253 OH TYR A 447 -6.307 -1.766 -2.117 1.00 15.00 O ATOM 0 H TYR A 447 -1.582 -1.156 2.021 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.235 -1.480 -0.572 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.594 0.889 0.754 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.925 0.872 -0.866 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.628 -0.486 1.281 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -2.107 -0.217 -2.691 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.750 -1.363 0.408 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -4.230 -1.092 -3.562 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.261 -1.823 -3.094 1.00 15.00 H new ATOM 263 N TYR A 448 1.958 -0.715 0.103 1.00 15.00 N ATOM 264 CA TYR A 448 3.309 -0.350 0.484 1.00 15.00 C ATOM 265 C TYR A 448 3.883 0.648 -0.510 1.00 15.00 C ATOM 266 O TYR A 448 3.986 0.362 -1.698 1.00 15.00 O ATOM 267 CB TYR A 448 4.178 -1.610 0.539 1.00 15.00 C ATOM 268 CG TYR A 448 5.578 -1.392 1.066 1.00 15.00 C ATOM 269 CD1 TYR A 448 5.835 -1.423 2.430 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.646 -1.183 0.201 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.114 -1.243 2.919 1.00 15.00 C ATOM 272 CE2 TYR A 448 7.928 -1.007 0.682 1.00 15.00 C ATOM 273 CZ TYR A 448 8.156 -1.039 2.042 1.00 15.00 C ATOM 274 OH TYR A 448 9.434 -0.876 2.527 1.00 15.00 O ATOM 0 H TYR A 448 1.904 -1.312 -0.722 1.00 15.00 H new ATOM 0 HA TYR A 448 3.294 0.118 1.468 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.680 -2.350 1.165 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.244 -2.033 -0.463 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.021 -1.591 3.120 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.470 -1.158 -0.864 1.00 15.00 H new ATOM 0 HE1 TYR A 448 7.296 -1.262 3.983 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.748 -0.845 -0.003 1.00 15.00 H new ATOM 0 HH TYR A 448 10.078 -0.983 1.796 1.00 15.00 H new ATOM 284 N ASN A 449 4.261 1.813 -0.017 1.00 15.00 N ATOM 285 CA ASN A 449 4.848 2.838 -0.860 1.00 15.00 C ATOM 286 C ASN A 449 6.355 2.664 -0.889 1.00 15.00 C ATOM 287 O ASN A 449 7.032 2.836 0.125 1.00 15.00 O ATOM 288 CB ASN A 449 4.508 4.238 -0.346 1.00 15.00 C ATOM 289 CG ASN A 449 4.958 5.321 -1.307 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.111 5.737 -1.291 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.051 5.794 -2.145 1.00 15.00 N ATOM 0 H ASN A 449 4.172 2.073 0.965 1.00 15.00 H new ATOM 0 HA ASN A 449 4.438 2.733 -1.864 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.432 4.316 -0.191 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.982 4.393 0.623 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.302 6.529 -2.806 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.101 5.424 -2.130 1.00 15.00 H new ATOM 298 N ASN A 450 6.873 2.328 -2.059 1.00 15.00 N ATOM 299 CA ASN A 450 8.282 1.990 -2.205 1.00 15.00 C ATOM 300 C ASN A 450 9.148 3.248 -2.264 1.00 15.00 C ATOM 301 O ASN A 450 10.371 3.166 -2.347 1.00 15.00 O ATOM 302 CB ASN A 450 8.484 1.147 -3.470 1.00 15.00 C ATOM 303 CG ASN A 450 9.610 0.131 -3.344 1.00 15.00 C ATOM 304 OD1 ASN A 450 9.552 -0.942 -3.941 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.645 0.456 -2.585 1.00 15.00 N ATOM 0 H ASN A 450 6.337 2.282 -2.926 1.00 15.00 H new ATOM 0 HA ASN A 450 8.589 1.413 -1.333 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.556 0.624 -3.701 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.694 1.809 -4.310 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.426 -0.192 -2.482 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.662 1.355 -2.103 1.00 15.00 H new ATOM 312 N ARG A 451 8.518 4.412 -2.210 1.00 15.00 N ATOM 313 CA ARG A 451 9.252 5.667 -2.275 1.00 15.00 C ATOM 314 C ARG A 451 9.516 6.210 -0.874 1.00 15.00 C ATOM 315 O ARG A 451 10.652 6.531 -0.531 1.00 15.00 O ATOM 316 CB ARG A 451 8.480 6.693 -3.112 1.00 15.00 C ATOM 317 CG ARG A 451 9.226 8.000 -3.333 1.00 15.00 C ATOM 318 CD ARG A 451 10.515 7.776 -4.108 1.00 15.00 C ATOM 319 NE ARG A 451 10.277 7.063 -5.362 1.00 15.00 N ATOM 320 CZ ARG A 451 11.166 6.271 -5.954 1.00 15.00 C ATOM 321 NH1 ARG A 451 12.374 6.102 -5.428 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 10.841 5.650 -7.080 1.00 15.00 N ATOM 0 H ARG A 451 7.507 4.514 -2.122 1.00 15.00 H new ATOM 0 HA ARG A 451 10.213 5.479 -2.755 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.245 6.253 -4.081 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.531 6.907 -2.620 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.589 8.697 -3.877 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.453 8.459 -2.371 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.984 8.737 -4.320 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.214 7.208 -3.494 1.00 15.00 H new ATOM 0 HE ARG A 451 9.369 7.181 -5.812 1.00 15.00 H new ATOM 0 HH11 ARG A 451 12.625 6.582 -4.564 1.00 15.00 H new ATOM 0 HH12 ARG A 451 13.050 5.493 -5.888 1.00 15.00 H new ATOM 0 HH21 ARG A 451 9.915 5.782 -7.486 1.00 15.00 H new ATOM 0 HH22 ARG A 451 11.518 5.041 -7.540 1.00 15.00 H new ATOM 336 N THR A 452 8.467 6.304 -0.071 1.00 15.00 N ATOM 337 CA THR A 452 8.578 6.842 1.279 1.00 15.00 C ATOM 338 C THR A 452 8.748 5.731 2.314 1.00 15.00 C ATOM 339 O THR A 452 8.922 6.006 3.503 1.00 15.00 O ATOM 340 CB THR A 452 7.340 7.686 1.635 1.00 15.00 C ATOM 341 OG1 THR A 452 6.145 6.934 1.381 1.00 15.00 O ATOM 342 CG2 THR A 452 7.313 8.978 0.831 1.00 15.00 C ATOM 0 H THR A 452 7.524 6.014 -0.331 1.00 15.00 H new ATOM 0 HA THR A 452 9.465 7.475 1.299 1.00 15.00 H new ATOM 0 HB THR A 452 7.393 7.939 2.694 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.114 6.678 0.435 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.429 9.556 1.101 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.208 9.561 1.049 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.282 8.744 -0.233 1.00 15.00 H new ATOM 350 N LEU A 453 8.697 4.477 1.849 1.00 15.00 N ATOM 351 CA LEU A 453 8.830 3.307 2.726 1.00 15.00 C ATOM 352 C LEU A 453 7.638 3.225 3.678 1.00 15.00 C ATOM 353 O LEU A 453 7.735 2.683 4.777 1.00 15.00 O ATOM 354 CB LEU A 453 10.150 3.343 3.521 1.00 15.00 C ATOM 355 CG LEU A 453 11.436 3.081 2.715 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.293 1.829 1.864 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.805 4.276 1.847 1.00 15.00 C ATOM 0 H LEU A 453 8.564 4.246 0.865 1.00 15.00 H new ATOM 0 HA LEU A 453 8.847 2.417 2.097 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.237 4.320 3.997 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.089 2.604 4.320 1.00 15.00 H new ATOM 0 HG LEU A 453 12.245 2.926 3.429 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.213 1.663 1.303 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.101 0.971 2.508 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.462 1.954 1.169 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.717 4.055 1.293 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.995 4.481 1.147 1.00 15.00 H new ATOM 0 HD23 LEU A 453 11.967 5.149 2.479 1.00 15.00 H new ATOM 369 N GLU A 454 6.498 3.704 3.202 1.00 15.00 N ATOM 370 CA GLU A 454 5.282 3.774 4.004 1.00 15.00 C ATOM 371 C GLU A 454 4.472 2.488 3.865 1.00 15.00 C ATOM 372 O GLU A 454 4.195 2.043 2.755 1.00 15.00 O ATOM 373 CB GLU A 454 4.445 4.974 3.544 1.00 15.00 C ATOM 374 CG GLU A 454 3.045 5.031 4.135 1.00 15.00 C ATOM 375 CD GLU A 454 3.030 5.370 5.609 1.00 15.00 C ATOM 376 OE1 GLU A 454 3.320 4.479 6.433 1.00 15.00 O ATOM 377 OE2 GLU A 454 2.696 6.526 5.947 1.00 15.00 O1- ATOM 0 H GLU A 454 6.388 4.055 2.251 1.00 15.00 H new ATOM 0 HA GLU A 454 5.553 3.895 5.053 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.973 5.891 3.805 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.366 4.950 2.457 1.00 15.00 H new ATOM 0 HG2 GLU A 454 2.459 5.773 3.593 1.00 15.00 H new ATOM 0 HG3 GLU A 454 2.556 4.068 3.986 1.00 15.00 H new ATOM 384 N SER A 455 4.087 1.901 4.984 1.00 15.00 N ATOM 385 CA SER A 455 3.268 0.703 4.968 1.00 15.00 C ATOM 386 C SER A 455 1.994 0.924 5.771 1.00 15.00 C ATOM 387 O SER A 455 2.038 1.108 6.990 1.00 15.00 O ATOM 388 CB SER A 455 4.053 -0.496 5.507 1.00 15.00 C ATOM 389 OG SER A 455 4.635 -0.209 6.767 1.00 15.00 O ATOM 0 H SER A 455 4.329 2.235 5.917 1.00 15.00 H new ATOM 0 HA SER A 455 2.990 0.486 3.937 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.389 -1.356 5.598 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.834 -0.770 4.798 1.00 15.00 H new ATOM 0 HG SER A 455 4.004 0.310 7.308 1.00 15.00 H new ATOM 395 N THR A 456 0.865 0.930 5.081 1.00 15.00 N ATOM 396 CA THR A 456 -0.416 1.182 5.714 1.00 15.00 C ATOM 397 C THR A 456 -1.441 0.126 5.306 1.00 15.00 C ATOM 398 O THR A 456 -1.369 -0.437 4.208 1.00 15.00 O ATOM 399 CB THR A 456 -0.940 2.597 5.370 1.00 15.00 C ATOM 400 OG1 THR A 456 -2.223 2.822 5.974 1.00 15.00 O ATOM 401 CG2 THR A 456 -1.042 2.796 3.862 1.00 15.00 C ATOM 0 H THR A 456 0.812 0.762 4.076 1.00 15.00 H new ATOM 0 HA THR A 456 -0.268 1.125 6.792 1.00 15.00 H new ATOM 0 HB THR A 456 -0.225 3.318 5.768 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.538 3.722 5.747 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.413 3.799 3.652 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.058 2.671 3.411 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.729 2.060 3.444 1.00 15.00 H new ATOM 409 N TRP A 457 -2.379 -0.149 6.202 1.00 15.00 N ATOM 410 CA TRP A 457 -3.404 -1.155 5.958 1.00 15.00 C ATOM 411 C TRP A 457 -4.668 -0.503 5.402 1.00 15.00 C ATOM 412 O TRP A 457 -5.680 -1.169 5.178 1.00 15.00 O ATOM 413 CB TRP A 457 -3.722 -1.904 7.257 1.00 15.00 C ATOM 414 CG TRP A 457 -2.531 -2.609 7.840 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.715 -2.147 8.831 1.00 15.00 C ATOM 416 CD2 TRP A 457 -2.018 -3.890 7.461 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.728 -3.066 9.096 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.891 -4.144 8.267 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.401 -4.849 6.521 1.00 15.00 C ATOM 420 CZ2 TRP A 457 -0.144 -5.315 8.157 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.661 -6.010 6.413 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.544 -6.235 7.227 1.00 15.00 C ATOM 0 H TRP A 457 -2.451 0.313 7.109 1.00 15.00 H new ATOM 0 HA TRP A 457 -3.029 -1.866 5.222 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -4.113 -1.198 7.990 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.510 -2.633 7.065 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.828 -1.198 9.334 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.006 -2.962 9.796 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.261 -4.686 5.889 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 0.719 -5.490 8.783 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.949 -6.757 5.688 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.013 -7.154 7.118 1.00 15.00 H new ATOM 433 N GLU A 458 -4.595 0.803 5.182 1.00 15.00 N ATOM 434 CA GLU A 458 -5.709 1.555 4.629 1.00 15.00 C ATOM 435 C GLU A 458 -5.254 2.291 3.373 1.00 15.00 C ATOM 436 O GLU A 458 -4.269 3.031 3.404 1.00 15.00 O ATOM 437 CB GLU A 458 -6.241 2.545 5.668 1.00 15.00 C ATOM 438 CG GLU A 458 -7.468 3.315 5.208 1.00 15.00 C ATOM 439 CD GLU A 458 -8.616 2.404 4.826 1.00 15.00 C ATOM 440 OE1 GLU A 458 -9.359 1.962 5.727 1.00 15.00 O ATOM 441 OE2 GLU A 458 -8.783 2.124 3.622 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.768 1.366 5.381 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.513 0.869 4.365 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.485 2.003 6.582 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -5.452 3.254 5.919 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -7.791 3.986 6.004 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.203 3.938 4.353 1.00 15.00 H new ATOM 448 N LYS A 459 -5.976 2.096 2.279 1.00 15.00 N ATOM 449 CA LYS A 459 -5.580 2.659 0.994 1.00 15.00 C ATOM 450 C LYS A 459 -5.753 4.176 0.963 1.00 15.00 C ATOM 451 O LYS A 459 -6.824 4.701 1.266 1.00 15.00 O ATOM 452 CB LYS A 459 -6.338 2.006 -0.178 1.00 15.00 C ATOM 453 CG LYS A 459 -7.844 1.854 0.009 1.00 15.00 C ATOM 454 CD LYS A 459 -8.184 0.624 0.843 1.00 15.00 C ATOM 455 CE LYS A 459 -9.683 0.420 0.984 1.00 15.00 C ATOM 456 NZ LYS A 459 -10.342 1.610 1.567 1.00 15.00 N1+ ATOM 0 H LYS A 459 -6.839 1.553 2.254 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.520 2.437 0.872 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.160 2.598 -1.076 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.912 1.019 -0.357 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -8.243 2.745 0.494 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -8.327 1.778 -0.965 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.741 -0.259 0.382 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.738 0.724 1.833 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -10.115 0.206 0.006 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.875 -0.448 1.614 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -11.322 1.374 1.822 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.826 1.910 2.419 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -10.341 2.383 0.871 1.00 15.00 H new ATOM 470 N PRO A 460 -4.674 4.882 0.576 1.00 15.00 N ATOM 471 CA PRO A 460 -4.648 6.351 0.441 1.00 15.00 C ATOM 472 C PRO A 460 -5.792 6.895 -0.401 1.00 15.00 C ATOM 473 O PRO A 460 -6.445 6.159 -1.138 1.00 15.00 O ATOM 474 CB PRO A 460 -3.316 6.602 -0.274 1.00 15.00 C ATOM 475 CG PRO A 460 -2.456 5.469 0.144 1.00 15.00 C ATOM 476 CD PRO A 460 -3.368 4.283 0.239 1.00 15.00 C ATOM 0 HA PRO A 460 -4.752 6.844 1.407 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.444 6.626 -1.356 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.883 7.559 0.017 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.660 5.294 -0.579 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.977 5.673 1.102 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.409 3.732 -0.700 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.037 3.582 1.006 1.00 15.00 H new ATOM 484 N GLN A 461 -5.989 8.201 -0.298 1.00 15.00 N ATOM 485 CA GLN A 461 -7.013 8.921 -1.063 1.00 15.00 C ATOM 486 C GLN A 461 -6.895 8.644 -2.569 1.00 15.00 C ATOM 487 O GLN A 461 -7.862 8.797 -3.316 1.00 15.00 O ATOM 488 CB GLN A 461 -6.885 10.425 -0.802 1.00 15.00 C ATOM 489 CG GLN A 461 -8.043 11.255 -1.336 1.00 15.00 C ATOM 490 CD GLN A 461 -9.335 11.002 -0.587 1.00 15.00 C ATOM 491 OE1 GLN A 461 -10.127 10.130 -0.953 1.00 15.00 O ATOM 492 NE2 GLN A 461 -9.560 11.769 0.466 1.00 15.00 N ATOM 0 H GLN A 461 -5.443 8.800 0.321 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.990 8.567 -0.734 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.801 10.589 0.272 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.959 10.782 -1.253 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.789 12.313 -1.268 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -8.190 11.030 -2.392 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.879 12.479 0.735 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -10.415 11.651 1.010 1.00 15.00 H new ATOM 501 N GLU A 462 -5.698 8.252 -3.004 1.00 15.00 N ATOM 502 CA GLU A 462 -5.453 7.886 -4.399 1.00 15.00 C ATOM 503 C GLU A 462 -6.278 6.660 -4.787 1.00 15.00 C ATOM 504 O GLU A 462 -6.539 6.410 -5.964 1.00 15.00 O ATOM 505 CB GLU A 462 -3.969 7.578 -4.614 1.00 15.00 C ATOM 506 CG GLU A 462 -3.033 8.695 -4.179 1.00 15.00 C ATOM 507 CD GLU A 462 -3.138 9.921 -5.060 1.00 15.00 C ATOM 508 OE1 GLU A 462 -2.432 9.979 -6.089 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -3.919 10.831 -4.730 1.00 15.00 O ATOM 0 H GLU A 462 -4.876 8.179 -2.404 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.746 8.729 -5.025 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.714 6.671 -4.066 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.802 7.369 -5.671 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -3.259 8.972 -3.149 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.006 8.329 -4.193 1.00 15.00 H new ATOM 516 N LEU A 463 -6.658 5.889 -3.783 1.00 15.00 N ATOM 517 CA LEU A 463 -7.410 4.663 -3.979 1.00 15.00 C ATOM 518 C LEU A 463 -8.748 4.763 -3.263 1.00 15.00 C ATOM 519 O LEU A 463 -9.779 4.957 -3.908 1.00 15.00 O ATOM 520 CB LEU A 463 -6.599 3.481 -3.454 1.00 15.00 C ATOM 521 CG LEU A 463 -5.305 3.213 -4.219 1.00 15.00 C ATOM 522 CD1 LEU A 463 -4.399 2.281 -3.435 1.00 15.00 C ATOM 523 CD2 LEU A 463 -5.620 2.629 -5.587 1.00 15.00 C ATOM 0 H LEU A 463 -6.453 6.097 -2.806 1.00 15.00 H new ATOM 0 HA LEU A 463 -7.600 4.511 -5.042 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -6.357 3.659 -2.406 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -7.220 2.586 -3.490 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.779 4.158 -4.354 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.483 2.104 -3.999 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.152 2.736 -2.476 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.910 1.333 -3.267 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -4.691 2.441 -6.125 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -6.165 1.693 -5.466 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -6.230 3.334 -6.152 1.00 15.00 H new ATOM 535 N LYS A 464 -8.707 4.676 -1.930 1.00 15.00 N ATOM 536 CA LYS A 464 -9.893 4.849 -1.096 1.00 15.00 C ATOM 537 C LYS A 464 -10.948 3.787 -1.406 1.00 15.00 C ATOM 538 O LYS A 464 -10.911 2.714 -0.780 1.00 15.00 O ATOM 539 CB LYS A 464 -10.462 6.254 -1.307 1.00 15.00 C ATOM 540 CG LYS A 464 -11.752 6.534 -0.559 1.00 15.00 C ATOM 541 CD LYS A 464 -12.563 7.610 -1.264 1.00 15.00 C ATOM 542 CE LYS A 464 -13.362 7.051 -2.441 1.00 15.00 C ATOM 543 NZ LYS A 464 -12.504 6.421 -3.488 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -11.808 4.028 -2.279 1.00 15.00 O ATOM 0 H LYS A 464 -7.854 4.485 -1.404 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.607 4.729 -0.051 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -9.714 6.984 -0.999 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -10.636 6.405 -2.372 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -12.340 5.619 -0.484 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -11.526 6.851 0.459 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -13.245 8.074 -0.552 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -11.893 8.393 -1.620 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -14.073 6.313 -2.071 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -13.943 7.855 -2.892 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -13.075 6.230 -4.336 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -11.725 7.065 -3.732 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -12.114 5.528 -3.126 1.00 15.00 H new