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= -1.8! C(o=-0.59!,f=-15!) USER MOD Set 1.2: A 452 THR OG1 : rot 149:sc= 1.21 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 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+ 165:sc= 1.25 (180deg=1.16) USER MOD Single : A 445 THR OG1 : rot -175:sc= -0.988 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.019) USER MOD Single : A 455 SER OG : rot 36:sc= 0.0834 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 459 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.785) USER MOD Single : A 461 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 464 LYS NZ :NH3+ -173:sc= -0.34 (180deg=-0.415) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.422 5.695 -5.761 1.00 15.00 N ATOM 29 CA GLU A 434 4.559 4.805 -5.588 1.00 15.00 C ATOM 30 C GLU A 434 4.096 3.610 -4.764 1.00 15.00 C ATOM 31 O GLU A 434 4.897 2.836 -4.234 1.00 15.00 O ATOM 32 CB GLU A 434 5.715 5.511 -4.873 1.00 15.00 C ATOM 33 CG GLU A 434 7.050 4.825 -5.091 1.00 15.00 C ATOM 34 CD GLU A 434 7.582 5.009 -6.494 1.00 15.00 C ATOM 35 OE1 GLU A 434 8.313 5.993 -6.729 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 7.278 4.168 -7.364 1.00 15.00 O ATOM 0 HA GLU A 434 4.923 4.488 -6.565 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.779 6.540 -5.226 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.504 5.553 -3.804 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.775 5.217 -4.378 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.944 3.760 -4.884 1.00 15.00 H new ATOM 43 N TRP A 435 2.782 3.455 -4.700 1.00 15.00 N ATOM 44 CA TRP A 435 2.160 2.457 -3.849 1.00 15.00 C ATOM 45 C TRP A 435 1.994 1.147 -4.599 1.00 15.00 C ATOM 46 O TRP A 435 1.446 1.113 -5.703 1.00 15.00 O ATOM 47 CB TRP A 435 0.790 2.948 -3.372 1.00 15.00 C ATOM 48 CG TRP A 435 0.838 4.259 -2.647 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.733 5.504 -3.197 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.999 4.455 -1.238 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.823 6.461 -2.218 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.983 5.843 -1.006 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.154 3.591 -0.148 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.118 6.386 0.270 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.289 4.132 1.117 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.267 5.518 1.317 1.00 15.00 C ATOM 0 H TRP A 435 2.120 4.017 -5.236 1.00 15.00 H new ATOM 0 HA TRP A 435 2.806 2.294 -2.986 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.128 3.043 -4.233 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.353 2.196 -2.715 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.599 5.706 -4.249 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.778 7.469 -2.368 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.168 2.521 -0.293 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.105 7.454 0.427 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.413 3.475 1.965 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.370 5.910 2.318 1.00 15.00 H new ATOM 67 N THR A 436 2.473 0.079 -3.993 1.00 15.00 N ATOM 68 CA THR A 436 2.305 -1.256 -4.532 1.00 15.00 C ATOM 69 C THR A 436 1.337 -2.042 -3.658 1.00 15.00 C ATOM 70 O THR A 436 1.361 -1.919 -2.430 1.00 15.00 O ATOM 71 CB THR A 436 3.658 -1.995 -4.621 1.00 15.00 C ATOM 72 OG1 THR A 436 4.352 -1.909 -3.368 1.00 15.00 O ATOM 73 CG2 THR A 436 4.528 -1.410 -5.725 1.00 15.00 C ATOM 0 H THR A 436 2.989 0.112 -3.114 1.00 15.00 H new ATOM 0 HA THR A 436 1.900 -1.172 -5.541 1.00 15.00 H new ATOM 0 HB THR A 436 3.455 -3.040 -4.854 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.208 -2.382 -3.435 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.475 -1.949 -5.766 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.015 -1.505 -6.682 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.718 -0.357 -5.519 1.00 15.00 H new ATOM 81 N GLU A 437 0.470 -2.823 -4.282 1.00 15.00 N ATOM 82 CA GLU A 437 -0.515 -3.597 -3.546 1.00 15.00 C ATOM 83 C GLU A 437 -0.050 -5.039 -3.403 1.00 15.00 C ATOM 84 O GLU A 437 0.256 -5.713 -4.390 1.00 15.00 O ATOM 85 CB GLU A 437 -1.882 -3.536 -4.242 1.00 15.00 C ATOM 86 CG GLU A 437 -1.897 -4.148 -5.632 1.00 15.00 C ATOM 87 CD GLU A 437 -3.235 -3.998 -6.327 1.00 15.00 C ATOM 88 OE1 GLU A 437 -4.114 -4.862 -6.130 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -3.411 -3.016 -7.080 1.00 15.00 O ATOM 0 H GLU A 437 0.429 -2.937 -5.295 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.622 -3.166 -2.551 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.617 -4.050 -3.622 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.196 -2.495 -4.312 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -1.123 -3.678 -6.239 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.647 -5.207 -5.560 1.00 15.00 H new ATOM 96 N ARG A 438 0.019 -5.508 -2.176 1.00 15.00 N ATOM 97 CA ARG A 438 0.390 -6.883 -1.926 1.00 15.00 C ATOM 98 C ARG A 438 -0.703 -7.591 -1.137 1.00 15.00 C ATOM 99 O ARG A 438 -0.963 -7.259 0.021 1.00 15.00 O ATOM 100 CB ARG A 438 1.728 -6.969 -1.189 1.00 15.00 C ATOM 101 CG ARG A 438 2.222 -8.398 -0.997 1.00 15.00 C ATOM 102 CD ARG A 438 2.430 -9.110 -2.329 1.00 15.00 C ATOM 103 NE ARG A 438 2.810 -10.513 -2.147 1.00 15.00 N ATOM 104 CZ ARG A 438 3.255 -11.302 -3.129 1.00 15.00 C ATOM 105 NH1 ARG A 438 3.381 -10.836 -4.367 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 3.579 -12.567 -2.867 1.00 15.00 N ATOM 0 H ARG A 438 -0.176 -4.959 -1.339 1.00 15.00 H new ATOM 0 HA ARG A 438 0.506 -7.383 -2.888 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.477 -6.405 -1.744 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.629 -6.493 -0.214 1.00 15.00 H new ATOM 0 HG2 ARG A 438 3.159 -8.387 -0.441 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.502 -8.954 -0.397 1.00 15.00 H new ATOM 0 HD2 ARG A 438 1.513 -9.056 -2.916 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.204 -8.595 -2.898 1.00 15.00 H new ATOM 0 HE ARG A 438 2.730 -10.913 -1.212 1.00 15.00 H new ATOM 0 HH11 ARG A 438 3.137 -9.868 -4.575 1.00 15.00 H new ATOM 0 HH12 ARG A 438 3.722 -11.447 -5.110 1.00 15.00 H new ATOM 0 HH21 ARG A 438 3.487 -12.931 -1.919 1.00 15.00 H new ATOM 0 HH22 ARG A 438 3.919 -13.172 -3.615 1.00 15.00 H new ATOM 120 N LYS A 439 -1.353 -8.543 -1.784 1.00 15.00 N ATOM 121 CA LYS A 439 -2.384 -9.338 -1.140 1.00 15.00 C ATOM 122 C LYS A 439 -1.753 -10.570 -0.510 1.00 15.00 C ATOM 123 O LYS A 439 -1.249 -11.444 -1.212 1.00 15.00 O ATOM 124 CB LYS A 439 -3.457 -9.759 -2.151 1.00 15.00 C ATOM 125 CG LYS A 439 -4.135 -8.590 -2.854 1.00 15.00 C ATOM 126 CD LYS A 439 -5.152 -9.063 -3.886 1.00 15.00 C ATOM 127 CE LYS A 439 -4.491 -9.884 -4.982 1.00 15.00 C ATOM 128 NZ LYS A 439 -5.457 -10.309 -6.030 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.184 -8.785 -2.760 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.861 -8.735 -0.367 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.002 -10.407 -2.900 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.215 -10.350 -1.637 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.632 -7.961 -2.116 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.381 -7.973 -3.343 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.920 -9.661 -3.395 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.653 -8.201 -4.327 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -3.695 -9.298 -5.441 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.025 -10.766 -4.542 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -4.960 -10.865 -6.755 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.204 -10.890 -5.599 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.883 -9.469 -6.470 1.00 15.00 H new ATOM 142 N THR A 440 -1.751 -10.621 0.808 1.00 15.00 N ATOM 143 CA THR A 440 -1.147 -11.731 1.519 1.00 15.00 C ATOM 144 C THR A 440 -2.227 -12.688 2.015 1.00 15.00 C ATOM 145 O THR A 440 -3.356 -12.271 2.297 1.00 15.00 O ATOM 146 CB THR A 440 -0.265 -11.245 2.697 1.00 15.00 C ATOM 147 OG1 THR A 440 0.436 -12.347 3.287 1.00 15.00 O ATOM 148 CG2 THR A 440 -1.094 -10.547 3.765 1.00 15.00 C ATOM 0 H THR A 440 -2.161 -9.906 1.409 1.00 15.00 H new ATOM 0 HA THR A 440 -0.497 -12.260 0.822 1.00 15.00 H new ATOM 0 HB THR A 440 0.451 -10.530 2.292 1.00 15.00 H new ATOM 0 HG1 THR A 440 0.990 -12.023 4.028 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.442 -10.220 4.575 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.594 -9.682 3.330 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.840 -11.239 4.156 1.00 15.00 H new ATOM 156 N ALA A 441 -1.882 -13.970 2.114 1.00 15.00 N ATOM 157 CA ALA A 441 -2.838 -15.003 2.510 1.00 15.00 C ATOM 158 C ALA A 441 -3.215 -14.889 3.985 1.00 15.00 C ATOM 159 O ALA A 441 -3.962 -15.711 4.514 1.00 15.00 O ATOM 160 CB ALA A 441 -2.276 -16.383 2.209 1.00 15.00 C ATOM 0 H ALA A 441 -0.943 -14.320 1.924 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.747 -14.855 1.928 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -2.998 -17.143 2.509 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.079 -16.471 1.140 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -1.348 -16.526 2.762 1.00 15.00 H new ATOM 166 N ASP A 442 -2.692 -13.863 4.644 1.00 15.00 N ATOM 167 CA ASP A 442 -3.084 -13.549 6.013 1.00 15.00 C ATOM 168 C ASP A 442 -4.442 -12.848 6.003 1.00 15.00 C ATOM 169 O ASP A 442 -5.019 -12.547 7.049 1.00 15.00 O ATOM 170 CB ASP A 442 -2.022 -12.665 6.677 1.00 15.00 C ATOM 171 CG ASP A 442 -2.234 -12.510 8.170 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.524 -13.520 8.842 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -2.100 -11.375 8.682 1.00 15.00 O ATOM 0 H ASP A 442 -1.993 -13.232 4.252 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.166 -14.471 6.589 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.036 -13.093 6.498 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.032 -11.680 6.209 1.00 15.00 H new ATOM 178 N GLY A 443 -4.941 -12.590 4.799 1.00 15.00 N ATOM 179 CA GLY A 443 -6.250 -11.993 4.640 1.00 15.00 C ATOM 180 C GLY A 443 -6.193 -10.483 4.611 1.00 15.00 C ATOM 181 O GLY A 443 -7.128 -9.813 5.048 1.00 15.00 O ATOM 0 H GLY A 443 -4.455 -12.787 3.924 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.702 -12.355 3.717 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.895 -12.314 5.458 1.00 15.00 H new ATOM 185 N LYS A 444 -5.097 -9.943 4.087 1.00 15.00 N ATOM 186 CA LYS A 444 -4.872 -8.502 4.114 1.00 15.00 C ATOM 187 C LYS A 444 -4.156 -8.031 2.857 1.00 15.00 C ATOM 188 O LYS A 444 -3.212 -8.664 2.383 1.00 15.00 O ATOM 189 CB LYS A 444 -4.043 -8.129 5.345 1.00 15.00 C ATOM 190 CG LYS A 444 -4.708 -8.508 6.656 1.00 15.00 C ATOM 191 CD LYS A 444 -3.711 -8.592 7.795 1.00 15.00 C ATOM 192 CE LYS A 444 -4.373 -9.098 9.063 1.00 15.00 C ATOM 193 NZ LYS A 444 -3.378 -9.435 10.112 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.353 -10.479 3.640 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.844 -8.010 4.160 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.072 -8.621 5.283 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.857 -7.055 5.337 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.475 -7.773 6.899 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -5.211 -9.468 6.543 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.893 -9.257 7.518 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.276 -7.609 7.975 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -5.057 -8.339 9.443 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -4.971 -9.980 8.833 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -3.859 -9.530 11.029 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -2.910 -10.332 9.872 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -2.666 -8.679 10.171 1.00 15.00 H new ATOM 207 N THR A 445 -4.604 -6.906 2.340 1.00 15.00 N ATOM 208 CA THR A 445 -3.968 -6.276 1.200 1.00 15.00 C ATOM 209 C THR A 445 -3.347 -4.953 1.634 1.00 15.00 C ATOM 210 O THR A 445 -4.052 -3.960 1.818 1.00 15.00 O ATOM 211 CB THR A 445 -4.981 -6.026 0.067 1.00 15.00 C ATOM 212 OG1 THR A 445 -5.652 -7.251 -0.263 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.292 -5.469 -1.171 1.00 15.00 C ATOM 0 H THR A 445 -5.417 -6.403 2.696 1.00 15.00 H new ATOM 0 HA THR A 445 -3.194 -6.945 0.823 1.00 15.00 H new ATOM 0 HB THR A 445 -5.707 -5.291 0.415 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.238 -7.105 -1.035 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.031 -5.302 -1.955 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.806 -4.525 -0.923 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.545 -6.180 -1.523 1.00 15.00 H new ATOM 221 N TYR A 446 -2.040 -4.949 1.828 1.00 15.00 N ATOM 222 CA TYR A 446 -1.360 -3.764 2.325 1.00 15.00 C ATOM 223 C TYR A 446 -0.669 -3.025 1.186 1.00 15.00 C ATOM 224 O TYR A 446 -0.131 -3.643 0.261 1.00 15.00 O ATOM 225 CB TYR A 446 -0.364 -4.136 3.434 1.00 15.00 C ATOM 226 CG TYR A 446 0.832 -4.952 2.986 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.773 -6.340 2.929 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.029 -4.333 2.646 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.870 -7.086 2.540 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.131 -5.071 2.259 1.00 15.00 C ATOM 231 CZ TYR A 446 3.047 -6.447 2.209 1.00 15.00 C ATOM 232 OH TYR A 446 4.146 -7.186 1.831 1.00 15.00 O ATOM 0 H TYR A 446 -1.431 -5.747 1.651 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.103 -3.093 2.756 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.003 -3.218 3.898 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.896 -4.695 4.204 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.145 -6.844 3.193 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.099 -3.256 2.685 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.806 -8.163 2.495 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.053 -4.573 1.997 1.00 15.00 H new ATOM 0 HH TYR A 446 4.892 -6.583 1.630 1.00 15.00 H new ATOM 242 N TYR A 447 -0.690 -1.705 1.260 1.00 15.00 N ATOM 243 CA TYR A 447 -0.064 -0.872 0.249 1.00 15.00 C ATOM 244 C TYR A 447 1.286 -0.371 0.736 1.00 15.00 C ATOM 245 O TYR A 447 1.389 0.262 1.790 1.00 15.00 O ATOM 246 CB TYR A 447 -0.969 0.309 -0.111 1.00 15.00 C ATOM 247 CG TYR A 447 -2.119 -0.062 -1.020 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.311 -0.559 -0.508 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.010 0.090 -2.398 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.360 -0.897 -1.342 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.055 -0.244 -3.237 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.226 -0.736 -2.706 1.00 15.00 C ATOM 253 OH TYR A 447 -5.268 -1.067 -3.541 1.00 15.00 O ATOM 0 H TYR A 447 -1.137 -1.185 2.015 1.00 15.00 H new ATOM 0 HA TYR A 447 0.090 -1.476 -0.646 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.368 0.743 0.806 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.370 1.081 -0.594 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.420 -0.683 0.559 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.093 0.476 -2.819 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.279 -1.285 -0.929 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -2.954 -0.120 -4.305 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.011 -0.893 -4.470 1.00 15.00 H new ATOM 263 N TYR A 448 2.318 -0.666 -0.032 1.00 15.00 N ATOM 264 CA TYR A 448 3.666 -0.246 0.304 1.00 15.00 C ATOM 265 C TYR A 448 4.159 0.812 -0.675 1.00 15.00 C ATOM 266 O TYR A 448 4.232 0.570 -1.879 1.00 15.00 O ATOM 267 CB TYR A 448 4.610 -1.453 0.300 1.00 15.00 C ATOM 268 CG TYR A 448 6.059 -1.102 0.565 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.478 -0.704 1.828 1.00 15.00 C ATOM 270 CD2 TYR A 448 7.007 -1.170 -0.448 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.799 -0.384 2.074 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.331 -0.852 -0.209 1.00 15.00 C ATOM 273 CZ TYR A 448 8.721 -0.459 1.054 1.00 15.00 C ATOM 274 OH TYR A 448 10.040 -0.147 1.299 1.00 15.00 O ATOM 0 H TYR A 448 2.248 -1.199 -0.899 1.00 15.00 H new ATOM 0 HA TYR A 448 3.654 0.190 1.303 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.276 -2.165 1.054 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.539 -1.954 -0.665 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.759 -0.644 2.631 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.705 -1.476 -1.439 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.107 -0.076 3.062 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.056 -0.911 -1.007 1.00 15.00 H new ATOM 0 HH TYR A 448 10.560 -0.252 0.475 1.00 15.00 H new ATOM 284 N ASN A 449 4.497 1.978 -0.151 1.00 15.00 N ATOM 285 CA ASN A 449 5.043 3.054 -0.962 1.00 15.00 C ATOM 286 C ASN A 449 6.557 2.928 -1.004 1.00 15.00 C ATOM 287 O ASN A 449 7.225 3.057 0.018 1.00 15.00 O ATOM 288 CB ASN A 449 4.631 4.415 -0.385 1.00 15.00 C ATOM 289 CG ASN A 449 5.065 5.600 -1.239 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.119 5.586 -1.863 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.245 6.637 -1.271 1.00 15.00 N ATOM 0 H ASN A 449 4.402 2.205 0.839 1.00 15.00 H new ATOM 0 HA ASN A 449 4.649 2.983 -1.976 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.547 4.438 -0.271 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.058 4.521 0.612 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.483 7.458 -1.827 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.375 6.616 -0.739 1.00 15.00 H new ATOM 298 N ASN A 450 7.087 2.665 -2.189 1.00 15.00 N ATOM 299 CA ASN A 450 8.515 2.423 -2.364 1.00 15.00 C ATOM 300 C ASN A 450 9.323 3.716 -2.257 1.00 15.00 C ATOM 301 O ASN A 450 10.525 3.690 -2.004 1.00 15.00 O ATOM 302 CB ASN A 450 8.768 1.745 -3.720 1.00 15.00 C ATOM 303 CG ASN A 450 10.242 1.528 -4.019 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.826 0.519 -3.621 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.845 2.465 -4.737 1.00 15.00 N ATOM 0 H ASN A 450 6.546 2.613 -3.052 1.00 15.00 H new ATOM 0 HA ASN A 450 8.846 1.762 -1.563 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.255 0.783 -3.738 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.330 2.355 -4.510 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.831 2.366 -4.980 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.323 3.285 -5.046 1.00 15.00 H new ATOM 312 N ARG A 451 8.663 4.845 -2.436 1.00 15.00 N ATOM 313 CA ARG A 451 9.356 6.123 -2.489 1.00 15.00 C ATOM 314 C ARG A 451 9.505 6.735 -1.101 1.00 15.00 C ATOM 315 O ARG A 451 10.459 7.461 -0.835 1.00 15.00 O ATOM 316 CB ARG A 451 8.631 7.075 -3.450 1.00 15.00 C ATOM 317 CG ARG A 451 9.220 8.472 -3.518 1.00 15.00 C ATOM 318 CD ARG A 451 8.510 9.310 -4.564 1.00 15.00 C ATOM 319 NE ARG A 451 8.520 8.668 -5.879 1.00 15.00 N ATOM 320 CZ ARG A 451 8.587 9.332 -7.030 1.00 15.00 C ATOM 321 NH1 ARG A 451 8.696 10.652 -7.033 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 8.575 8.669 -8.176 1.00 15.00 N ATOM 0 H ARG A 451 7.651 4.906 -2.547 1.00 15.00 H new ATOM 0 HA ARG A 451 10.363 5.953 -2.869 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.643 6.640 -4.450 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.586 7.149 -3.148 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.137 8.953 -2.544 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.282 8.412 -3.755 1.00 15.00 H new ATOM 0 HD2 ARG A 451 7.480 9.482 -4.252 1.00 15.00 H new ATOM 0 HD3 ARG A 451 8.990 10.286 -4.633 1.00 15.00 H new ATOM 0 HE ARG A 451 8.473 7.650 -5.915 1.00 15.00 H new ATOM 0 HH11 ARG A 451 8.729 11.163 -6.151 1.00 15.00 H new ATOM 0 HH12 ARG A 451 8.747 11.157 -7.917 1.00 15.00 H new ATOM 0 HH21 ARG A 451 8.514 7.651 -8.176 1.00 15.00 H new ATOM 0 HH22 ARG A 451 8.626 9.176 -9.059 1.00 15.00 H new ATOM 336 N THR A 452 8.559 6.450 -0.218 1.00 15.00 N ATOM 337 CA THR A 452 8.645 6.932 1.154 1.00 15.00 C ATOM 338 C THR A 452 8.825 5.775 2.135 1.00 15.00 C ATOM 339 O THR A 452 8.941 5.988 3.344 1.00 15.00 O ATOM 340 CB THR A 452 7.401 7.755 1.541 1.00 15.00 C ATOM 341 OG1 THR A 452 6.210 7.021 1.236 1.00 15.00 O ATOM 342 CG2 THR A 452 7.383 9.086 0.807 1.00 15.00 C ATOM 0 H THR A 452 7.730 5.893 -0.423 1.00 15.00 H new ATOM 0 HA THR A 452 9.520 7.580 1.211 1.00 15.00 H new ATOM 0 HB THR A 452 7.442 7.949 2.613 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.507 7.258 1.876 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.496 9.649 1.096 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.275 9.656 1.066 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.365 8.908 -0.268 1.00 15.00 H new ATOM 350 N LEU A 453 8.848 4.553 1.594 1.00 15.00 N ATOM 351 CA LEU A 453 9.055 3.332 2.383 1.00 15.00 C ATOM 352 C LEU A 453 7.902 3.106 3.360 1.00 15.00 C ATOM 353 O LEU A 453 8.032 2.364 4.333 1.00 15.00 O ATOM 354 CB LEU A 453 10.393 3.381 3.144 1.00 15.00 C ATOM 355 CG LEU A 453 11.659 3.188 2.290 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.943 4.413 1.433 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.855 2.877 3.177 1.00 15.00 C ATOM 0 H LEU A 453 8.724 4.381 0.596 1.00 15.00 H new ATOM 0 HA LEU A 453 9.086 2.495 1.685 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.464 4.342 3.653 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.378 2.612 3.916 1.00 15.00 H new ATOM 0 HG LEU A 453 11.484 2.344 1.622 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.843 4.243 0.843 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.100 4.594 0.766 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.089 5.281 2.076 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.742 2.743 2.558 1.00 15.00 H new ATOM 0 HD22 LEU A 453 13.018 3.702 3.871 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.663 1.963 3.739 1.00 15.00 H new ATOM 369 N GLU A 454 6.755 3.695 3.057 1.00 15.00 N ATOM 370 CA GLU A 454 5.611 3.639 3.955 1.00 15.00 C ATOM 371 C GLU A 454 4.697 2.469 3.618 1.00 15.00 C ATOM 372 O GLU A 454 4.057 2.448 2.568 1.00 15.00 O ATOM 373 CB GLU A 454 4.818 4.944 3.897 1.00 15.00 C ATOM 374 CG GLU A 454 5.614 6.158 4.334 1.00 15.00 C ATOM 375 CD GLU A 454 4.802 7.434 4.290 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.537 7.938 3.180 1.00 15.00 O ATOM 377 OE2 GLU A 454 4.439 7.946 5.370 1.00 15.00 O1- ATOM 0 H GLU A 454 6.592 4.217 2.196 1.00 15.00 H new ATOM 0 HA GLU A 454 5.995 3.496 4.965 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.464 5.099 2.878 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.935 4.852 4.530 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.982 6.001 5.348 1.00 15.00 H new ATOM 0 HG3 GLU A 454 6.488 6.266 3.691 1.00 15.00 H new ATOM 384 N SER A 455 4.657 1.491 4.505 1.00 15.00 N ATOM 385 CA SER A 455 3.757 0.359 4.368 1.00 15.00 C ATOM 386 C SER A 455 2.548 0.545 5.276 1.00 15.00 C ATOM 387 O SER A 455 2.694 0.670 6.492 1.00 15.00 O ATOM 388 CB SER A 455 4.500 -0.930 4.722 1.00 15.00 C ATOM 389 OG SER A 455 5.267 -0.760 5.905 1.00 15.00 O ATOM 0 H SER A 455 5.245 1.458 5.338 1.00 15.00 H new ATOM 0 HA SER A 455 3.408 0.294 3.337 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.785 -1.741 4.860 1.00 15.00 H new ATOM 0 HB3 SER A 455 5.153 -1.217 3.898 1.00 15.00 H new ATOM 0 HG SER A 455 4.787 -0.172 6.525 1.00 15.00 H new ATOM 395 N THR A 456 1.360 0.572 4.694 1.00 15.00 N ATOM 396 CA THR A 456 0.152 0.789 5.470 1.00 15.00 C ATOM 397 C THR A 456 -0.903 -0.268 5.166 1.00 15.00 C ATOM 398 O THR A 456 -0.962 -0.815 4.062 1.00 15.00 O ATOM 399 CB THR A 456 -0.435 2.199 5.227 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.644 2.365 5.982 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.712 2.437 3.750 1.00 15.00 C ATOM 0 H THR A 456 1.207 0.447 3.693 1.00 15.00 H new ATOM 0 HA THR A 456 0.435 0.708 6.520 1.00 15.00 H new ATOM 0 HB THR A 456 0.303 2.931 5.556 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.008 3.261 5.824 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.124 3.437 3.614 1.00 15.00 H new ATOM 0 HG22 THR A 456 0.217 2.347 3.187 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.428 1.698 3.390 1.00 15.00 H new ATOM 409 N TRP A 457 -1.728 -0.556 6.169 1.00 15.00 N ATOM 410 CA TRP A 457 -2.816 -1.515 6.030 1.00 15.00 C ATOM 411 C TRP A 457 -4.079 -0.800 5.565 1.00 15.00 C ATOM 412 O TRP A 457 -5.140 -1.410 5.421 1.00 15.00 O ATOM 413 CB TRP A 457 -3.083 -2.206 7.369 1.00 15.00 C ATOM 414 CG TRP A 457 -1.907 -2.959 7.904 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.093 -2.574 8.930 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.407 -4.216 7.443 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.125 -3.523 9.143 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.292 -4.538 8.240 1.00 15.00 C ATOM 419 CE3 TRP A 457 -1.793 -5.102 6.436 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.438 -5.710 8.058 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.067 -6.262 6.255 1.00 15.00 C ATOM 422 CH2 TRP A 457 0.038 -6.558 7.062 1.00 15.00 C ATOM 0 H TRP A 457 -1.661 -0.133 7.095 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.531 -2.265 5.292 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.386 -1.456 8.100 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -3.920 -2.894 7.252 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.196 -1.657 9.492 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.601 -3.479 9.858 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.645 -4.884 5.809 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.289 -5.941 8.681 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.356 -6.953 5.477 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.585 -7.474 6.895 1.00 15.00 H new ATOM 433 N GLU A 458 -3.954 0.500 5.350 1.00 15.00 N ATOM 434 CA GLU A 458 -5.070 1.328 4.921 1.00 15.00 C ATOM 435 C GLU A 458 -4.895 1.715 3.461 1.00 15.00 C ATOM 436 O GLU A 458 -3.804 2.102 3.046 1.00 15.00 O ATOM 437 CB GLU A 458 -5.149 2.587 5.784 1.00 15.00 C ATOM 438 CG GLU A 458 -5.206 2.297 7.272 1.00 15.00 C ATOM 439 CD GLU A 458 -5.405 3.548 8.095 1.00 15.00 C ATOM 440 OE1 GLU A 458 -4.399 4.176 8.486 1.00 15.00 O ATOM 441 OE2 GLU A 458 -6.573 3.908 8.348 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.078 1.010 5.468 1.00 15.00 H new ATOM 0 HA GLU A 458 -5.995 0.762 5.033 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -4.282 3.215 5.577 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.032 3.159 5.499 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.020 1.600 7.473 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -4.283 1.806 7.579 1.00 15.00 H new ATOM 448 N LYS A 459 -5.966 1.624 2.688 1.00 15.00 N ATOM 449 CA LYS A 459 -5.907 1.967 1.275 1.00 15.00 C ATOM 450 C LYS A 459 -5.785 3.480 1.093 1.00 15.00 C ATOM 451 O LYS A 459 -6.649 4.244 1.535 1.00 15.00 O ATOM 452 CB LYS A 459 -7.143 1.442 0.542 1.00 15.00 C ATOM 453 CG LYS A 459 -7.164 1.798 -0.937 1.00 15.00 C ATOM 454 CD LYS A 459 -8.382 1.226 -1.640 1.00 15.00 C ATOM 455 CE LYS A 459 -9.676 1.708 -1.006 1.00 15.00 C ATOM 456 NZ LYS A 459 -10.856 1.308 -1.809 1.00 15.00 N1+ ATOM 0 H LYS A 459 -6.883 1.317 3.013 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.023 1.495 0.846 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.186 0.358 0.648 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.037 1.845 1.018 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.156 2.882 -1.050 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.259 1.421 -1.414 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -8.363 1.513 -2.691 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.344 0.137 -1.606 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.764 1.299 0.000 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.652 2.793 -0.908 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -11.724 1.501 -1.270 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -10.872 1.850 -2.696 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -10.801 0.292 -2.025 1.00 15.00 H new ATOM 470 N PRO A 460 -4.696 3.925 0.451 1.00 15.00 N ATOM 471 CA PRO A 460 -4.442 5.344 0.175 1.00 15.00 C ATOM 472 C PRO A 460 -5.444 5.918 -0.820 1.00 15.00 C ATOM 473 O PRO A 460 -5.960 5.199 -1.678 1.00 15.00 O ATOM 474 CB PRO A 460 -3.030 5.348 -0.437 1.00 15.00 C ATOM 475 CG PRO A 460 -2.452 4.020 -0.092 1.00 15.00 C ATOM 476 CD PRO A 460 -3.611 3.075 -0.054 1.00 15.00 C ATOM 0 HA PRO A 460 -4.533 5.956 1.073 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.069 5.492 -1.517 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.426 6.158 -0.029 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.716 3.708 -0.833 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.941 4.053 0.870 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.838 2.671 -1.041 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.421 2.226 0.603 1.00 15.00 H new ATOM 484 N GLN A 461 -5.675 7.221 -0.725 1.00 15.00 N ATOM 485 CA GLN A 461 -6.636 7.911 -1.584 1.00 15.00 C ATOM 486 C GLN A 461 -6.227 7.836 -3.058 1.00 15.00 C ATOM 487 O GLN A 461 -7.033 8.101 -3.950 1.00 15.00 O ATOM 488 CB GLN A 461 -6.781 9.368 -1.134 1.00 15.00 C ATOM 489 CG GLN A 461 -7.842 10.157 -1.885 1.00 15.00 C ATOM 490 CD GLN A 461 -8.082 11.525 -1.277 1.00 15.00 C ATOM 491 OE1 GLN A 461 -7.929 11.715 -0.070 1.00 15.00 O ATOM 492 NE2 GLN A 461 -8.464 12.484 -2.102 1.00 15.00 N ATOM 0 H GLN A 461 -5.205 7.829 -0.054 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.600 7.411 -1.490 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -7.019 9.385 -0.070 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.821 9.869 -1.254 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.537 10.273 -2.925 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -8.776 9.594 -1.888 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.579 12.286 -3.096 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.643 13.422 -1.745 1.00 15.00 H new ATOM 501 N GLU A 462 -4.976 7.471 -3.310 1.00 15.00 N ATOM 502 CA GLU A 462 -4.485 7.309 -4.676 1.00 15.00 C ATOM 503 C GLU A 462 -5.161 6.114 -5.351 1.00 15.00 C ATOM 504 O GLU A 462 -5.195 6.014 -6.577 1.00 15.00 O ATOM 505 CB GLU A 462 -2.965 7.114 -4.688 1.00 15.00 C ATOM 506 CG GLU A 462 -2.197 8.165 -3.901 1.00 15.00 C ATOM 507 CD GLU A 462 -2.417 9.572 -4.417 1.00 15.00 C ATOM 508 OE1 GLU A 462 -3.365 10.237 -3.950 1.00 15.00 O ATOM 509 OE2 GLU A 462 -1.639 10.028 -5.281 1.00 15.00 O1- ATOM 0 H GLU A 462 -4.282 7.281 -2.587 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.728 8.216 -5.229 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.733 6.130 -4.281 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.617 7.123 -5.721 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.497 8.117 -2.854 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.133 7.933 -3.939 1.00 15.00 H new ATOM 516 N LEU A 463 -5.674 5.201 -4.531 1.00 15.00 N ATOM 517 CA LEU A 463 -6.368 4.009 -5.014 1.00 15.00 C ATOM 518 C LEU A 463 -7.771 3.955 -4.418 1.00 15.00 C ATOM 519 O LEU A 463 -8.373 2.888 -4.323 1.00 15.00 O ATOM 520 CB LEU A 463 -5.598 2.734 -4.627 1.00 15.00 C ATOM 521 CG LEU A 463 -4.322 2.430 -5.428 1.00 15.00 C ATOM 522 CD1 LEU A 463 -4.589 2.528 -6.923 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.176 3.347 -5.015 1.00 15.00 C ATOM 0 H LEU A 463 -5.621 5.266 -3.514 1.00 15.00 H new ATOM 0 HA LEU A 463 -6.430 4.063 -6.101 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.330 2.805 -3.573 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -6.274 1.885 -4.727 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.021 1.407 -5.203 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.673 2.309 -7.471 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -5.360 1.810 -7.203 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.926 3.535 -7.167 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.288 3.106 -5.600 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.458 4.385 -5.194 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.961 3.207 -3.956 1.00 15.00 H new ATOM 535 N LYS A 464 -8.277 5.133 -4.057 1.00 15.00 N ATOM 536 CA LYS A 464 -9.565 5.287 -3.373 1.00 15.00 C ATOM 537 C LYS A 464 -10.667 4.444 -4.014 1.00 15.00 C ATOM 538 O LYS A 464 -11.063 3.423 -3.415 1.00 15.00 O ATOM 539 CB LYS A 464 -9.973 6.760 -3.395 1.00 15.00 C ATOM 540 CG LYS A 464 -11.192 7.080 -2.548 1.00 15.00 C ATOM 541 CD LYS A 464 -11.617 8.530 -2.721 1.00 15.00 C ATOM 542 CE LYS A 464 -12.728 8.683 -3.752 1.00 15.00 C ATOM 543 NZ LYS A 464 -12.395 8.072 -5.070 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -11.141 4.815 -5.105 1.00 15.00 O ATOM 0 H LYS A 464 -7.801 6.018 -4.232 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.440 4.937 -2.348 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -9.134 7.363 -3.047 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -10.172 7.055 -4.425 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -12.015 6.421 -2.827 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.970 6.886 -1.499 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.955 8.925 -1.763 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -10.756 9.126 -3.025 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -13.638 8.225 -3.366 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.940 9.743 -3.893 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -13.135 8.311 -5.760 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -11.481 8.440 -5.402 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -12.337 7.039 -4.969 1.00 15.00 H new