USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 273 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 Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 81:sc= 0.301 USER MOD Single : A 438 TYR OH : 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+ 130:sc= 1.11 (180deg=0.498) USER MOD Single : A 445 THR OG1 : 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= -0.0391 USER MOD Single : A 449 ASN : amide:sc= -3.3! C(o=-3.3!,f=-7.2!) USER MOD Single : A 450 ASN : amide:sc= -0.615 K(o=-0.61,f=-4.2!) USER MOD Single : A 452 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 455 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 456 THR OG1 : rot -170:sc= -2.63! USER MOD Single : A 459 LYS NZ :NH3+ -164:sc= -0.0379 (180deg=-0.262) USER MOD Single : A 461 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.47) USER MOD Single : A 464 LYS NZ :NH3+ 175:sc= -0.793! (180deg=-1.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 431 -1.537 13.070 -0.031 1.00 15.00 N ATOM 2 CA ALA A 431 -2.588 14.109 0.036 1.00 15.00 C ATOM 3 C ALA A 431 -3.778 13.624 0.858 1.00 15.00 C ATOM 4 O ALA A 431 -4.226 14.304 1.779 1.00 15.00 O ATOM 5 CB ALA A 431 -3.039 14.496 -1.363 1.00 15.00 C ATOM 0 HA ALA A 431 -2.168 14.987 0.526 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -3.812 15.261 -1.297 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -2.190 14.886 -1.924 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -3.439 13.619 -1.872 1.00 15.00 H new ATOM 11 N VAL A 432 -4.288 12.448 0.522 1.00 15.00 N ATOM 12 CA VAL A 432 -5.421 11.875 1.241 1.00 15.00 C ATOM 13 C VAL A 432 -5.031 10.538 1.850 1.00 15.00 C ATOM 14 O VAL A 432 -5.894 9.723 2.184 1.00 15.00 O ATOM 15 CB VAL A 432 -6.642 11.675 0.312 1.00 15.00 C ATOM 16 CG1 VAL A 432 -7.170 13.014 -0.175 1.00 15.00 C ATOM 17 CG2 VAL A 432 -6.285 10.781 -0.870 1.00 15.00 C ATOM 0 H VAL A 432 -3.937 11.871 -0.243 1.00 15.00 H new ATOM 0 HA VAL A 432 -5.698 12.576 2.029 1.00 15.00 H new ATOM 0 HB VAL A 432 -7.426 11.183 0.887 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -8.028 12.851 -0.827 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -7.473 13.618 0.680 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -6.388 13.534 -0.728 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -7.160 10.655 -1.508 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -5.480 11.240 -1.444 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -5.960 9.807 -0.504 1.00 15.00 H new ATOM 27 N SER A 433 -3.724 10.358 2.037 1.00 15.00 N ATOM 28 CA SER A 433 -3.144 9.060 2.363 1.00 15.00 C ATOM 29 C SER A 433 -3.400 8.094 1.216 1.00 15.00 C ATOM 30 O SER A 433 -4.429 7.424 1.161 1.00 15.00 O ATOM 31 CB SER A 433 -3.687 8.512 3.684 1.00 15.00 C ATOM 32 OG SER A 433 -3.436 9.419 4.747 1.00 15.00 O ATOM 0 H SER A 433 -3.039 11.110 1.966 1.00 15.00 H new ATOM 0 HA SER A 433 -2.069 9.181 2.496 1.00 15.00 H new ATOM 0 HB2 SER A 433 -4.759 8.335 3.596 1.00 15.00 H new ATOM 0 HB3 SER A 433 -3.222 7.551 3.903 1.00 15.00 H new ATOM 0 HG SER A 433 -3.792 9.051 5.582 1.00 15.00 H new ATOM 38 N GLU A 434 -2.474 8.094 0.269 1.00 15.00 N ATOM 39 CA GLU A 434 -2.631 7.344 -0.965 1.00 15.00 C ATOM 40 C GLU A 434 -2.575 5.836 -0.712 1.00 15.00 C ATOM 41 O GLU A 434 -3.609 5.180 -0.591 1.00 15.00 O ATOM 42 CB GLU A 434 -1.560 7.776 -1.980 1.00 15.00 C ATOM 43 CG GLU A 434 -1.793 9.145 -2.603 1.00 15.00 C ATOM 44 CD GLU A 434 -1.780 10.278 -1.587 1.00 15.00 C ATOM 45 OE1 GLU A 434 -0.808 10.379 -0.813 1.00 15.00 O ATOM 46 OE2 GLU A 434 -2.739 11.087 -1.560 1.00 15.00 O1- ATOM 0 H GLU A 434 -1.597 8.611 0.335 1.00 15.00 H new ATOM 0 HA GLU A 434 -3.615 7.564 -1.380 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -0.589 7.777 -1.485 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -1.512 7.033 -2.776 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -1.025 9.330 -3.354 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -2.752 9.142 -3.122 1.00 15.00 H new ATOM 53 N TRP A 435 -1.378 5.296 -0.573 1.00 15.00 N ATOM 54 CA TRP A 435 -1.212 3.864 -0.425 1.00 15.00 C ATOM 55 C TRP A 435 -1.263 3.534 1.056 1.00 15.00 C ATOM 56 O TRP A 435 -0.613 4.203 1.858 1.00 15.00 O ATOM 57 CB TRP A 435 0.136 3.433 -1.041 1.00 15.00 C ATOM 58 CG TRP A 435 0.414 4.102 -2.363 1.00 15.00 C ATOM 59 CD1 TRP A 435 1.109 5.263 -2.560 1.00 15.00 C ATOM 60 CD2 TRP A 435 -0.014 3.672 -3.665 1.00 15.00 C ATOM 61 NE1 TRP A 435 1.118 5.589 -3.891 1.00 15.00 N ATOM 62 CE2 TRP A 435 0.442 4.632 -4.589 1.00 15.00 C ATOM 63 CE3 TRP A 435 -0.741 2.579 -4.142 1.00 15.00 C ATOM 64 CZ2 TRP A 435 0.191 4.534 -5.954 1.00 15.00 C ATOM 65 CZ3 TRP A 435 -0.995 2.487 -5.501 1.00 15.00 C ATOM 66 CH2 TRP A 435 -0.529 3.460 -6.389 1.00 15.00 C ATOM 0 H TRP A 435 -0.508 5.828 -0.560 1.00 15.00 H new ATOM 0 HA TRP A 435 -2.005 3.326 -0.944 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.940 3.668 -0.344 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.138 2.352 -1.178 1.00 15.00 H new ATOM 0 HD1 TRP A 435 1.582 5.840 -1.779 1.00 15.00 H new ATOM 0 HE1 TRP A 435 1.560 6.415 -4.295 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.099 1.819 -3.463 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.553 5.281 -6.644 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -1.562 1.650 -5.880 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.743 3.360 -7.443 1.00 15.00 H new ATOM 77 N THR A 436 -2.013 2.509 1.433 1.00 15.00 N ATOM 78 CA THR A 436 -2.130 2.166 2.821 1.00 15.00 C ATOM 79 C THR A 436 -1.030 1.196 3.167 1.00 15.00 C ATOM 80 O THR A 436 -0.920 0.135 2.535 1.00 15.00 O ATOM 81 CB THR A 436 -3.500 1.524 3.116 1.00 15.00 C ATOM 82 OG1 THR A 436 -4.547 2.449 2.792 1.00 15.00 O ATOM 83 CG2 THR A 436 -3.612 1.106 4.574 1.00 15.00 C ATOM 0 H THR A 436 -2.541 1.912 0.796 1.00 15.00 H new ATOM 0 HA THR A 436 -2.045 3.071 3.423 1.00 15.00 H new ATOM 0 HB THR A 436 -3.597 0.630 2.500 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.719 2.424 1.828 1.00 15.00 H new ATOM 0 HG21 THR A 436 -4.589 0.657 4.750 1.00 15.00 H new ATOM 0 HG22 THR A 436 -2.832 0.380 4.805 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.495 1.981 5.213 1.00 15.00 H new ATOM 91 N GLU A 437 -0.250 1.557 4.187 1.00 15.00 N ATOM 92 CA GLU A 437 0.923 0.799 4.568 1.00 15.00 C ATOM 93 C GLU A 437 0.466 -0.230 5.565 1.00 15.00 C ATOM 94 O GLU A 437 0.352 0.022 6.766 1.00 15.00 O ATOM 95 CB GLU A 437 1.997 1.681 5.223 1.00 15.00 C ATOM 96 CG GLU A 437 2.019 3.125 4.743 1.00 15.00 C ATOM 97 CD GLU A 437 1.064 3.997 5.533 1.00 15.00 C ATOM 98 OE1 GLU A 437 -0.147 3.993 5.231 1.00 15.00 O ATOM 99 OE2 GLU A 437 1.521 4.673 6.479 1.00 15.00 O1- ATOM 0 H GLU A 437 -0.420 2.381 4.764 1.00 15.00 H new ATOM 0 HA GLU A 437 1.370 0.354 3.679 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.844 1.674 6.302 1.00 15.00 H new ATOM 0 HB3 GLU A 437 2.975 1.236 5.037 1.00 15.00 H new ATOM 0 HG2 GLU A 437 3.030 3.522 4.831 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.754 3.161 3.686 1.00 15.00 H new ATOM 106 N TYR A 438 0.142 -1.370 5.024 1.00 15.00 N ATOM 107 CA TYR A 438 -0.637 -2.346 5.720 1.00 15.00 C ATOM 108 C TYR A 438 0.277 -3.523 5.992 1.00 15.00 C ATOM 109 O TYR A 438 0.436 -4.418 5.161 1.00 15.00 O ATOM 110 CB TYR A 438 -1.783 -2.679 4.774 1.00 15.00 C ATOM 111 CG TYR A 438 -3.090 -3.073 5.392 1.00 15.00 C ATOM 112 CD1 TYR A 438 -3.202 -3.706 6.620 1.00 15.00 C ATOM 113 CD2 TYR A 438 -4.245 -2.762 4.699 1.00 15.00 C ATOM 114 CE1 TYR A 438 -4.450 -4.019 7.133 1.00 15.00 C ATOM 115 CE2 TYR A 438 -5.480 -3.056 5.194 1.00 15.00 C ATOM 116 CZ TYR A 438 -5.589 -3.689 6.416 1.00 15.00 C ATOM 117 OH TYR A 438 -6.834 -3.980 6.929 1.00 15.00 O ATOM 0 H TYR A 438 0.414 -1.647 4.081 1.00 15.00 H new ATOM 0 HA TYR A 438 -1.045 -2.023 6.678 1.00 15.00 H new ATOM 0 HB2 TYR A 438 -1.958 -1.812 4.138 1.00 15.00 H new ATOM 0 HB3 TYR A 438 -1.459 -3.491 4.124 1.00 15.00 H new ATOM 0 HD1 TYR A 438 -2.313 -3.956 7.179 1.00 15.00 H new ATOM 0 HD2 TYR A 438 -4.166 -2.273 3.739 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -4.535 -4.518 8.087 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -6.367 -2.796 4.635 1.00 15.00 H new ATOM 0 HH TYR A 438 -7.525 -3.681 6.301 1.00 15.00 H new ATOM 127 N LYS A 439 0.939 -3.466 7.136 1.00 15.00 N ATOM 128 CA LYS A 439 2.079 -4.329 7.395 1.00 15.00 C ATOM 129 C LYS A 439 1.989 -4.913 8.809 1.00 15.00 C ATOM 130 O LYS A 439 1.909 -4.159 9.779 1.00 15.00 O ATOM 131 CB LYS A 439 3.379 -3.521 7.252 1.00 15.00 C ATOM 132 CG LYS A 439 3.393 -2.588 6.044 1.00 15.00 C ATOM 133 CD LYS A 439 4.700 -1.822 5.936 1.00 15.00 C ATOM 134 CE LYS A 439 5.810 -2.697 5.384 1.00 15.00 C ATOM 135 NZ LYS A 439 7.144 -2.060 5.524 1.00 15.00 N1+ ATOM 0 H LYS A 439 0.706 -2.831 7.900 1.00 15.00 H new ATOM 0 HA LYS A 439 2.076 -5.146 6.674 1.00 15.00 H new ATOM 0 HB2 LYS A 439 3.531 -2.932 8.156 1.00 15.00 H new ATOM 0 HB3 LYS A 439 4.219 -4.212 7.176 1.00 15.00 H new ATOM 0 HG2 LYS A 439 3.236 -3.169 5.135 1.00 15.00 H new ATOM 0 HG3 LYS A 439 2.564 -1.884 6.119 1.00 15.00 H new ATOM 0 HD2 LYS A 439 4.563 -0.955 5.290 1.00 15.00 H new ATOM 0 HD3 LYS A 439 4.985 -1.446 6.918 1.00 15.00 H new ATOM 0 HE2 LYS A 439 5.809 -3.655 5.905 1.00 15.00 H new ATOM 0 HE3 LYS A 439 5.617 -2.906 4.332 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 7.873 -2.691 5.134 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 7.154 -1.158 5.006 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 7.341 -1.883 6.530 1.00 15.00 H new ATOM 149 N THR A 440 1.991 -6.239 8.940 1.00 15.00 N ATOM 150 CA THR A 440 1.859 -6.869 10.237 1.00 15.00 C ATOM 151 C THR A 440 2.589 -8.207 10.250 1.00 15.00 C ATOM 152 O THR A 440 2.725 -8.851 9.205 1.00 15.00 O ATOM 153 CB THR A 440 0.374 -7.043 10.636 1.00 15.00 C ATOM 154 OG1 THR A 440 0.256 -7.835 11.824 1.00 15.00 O ATOM 155 CG2 THR A 440 -0.434 -7.674 9.512 1.00 15.00 C ATOM 0 H THR A 440 2.083 -6.890 8.160 1.00 15.00 H new ATOM 0 HA THR A 440 2.318 -6.215 10.978 1.00 15.00 H new ATOM 0 HB THR A 440 -0.028 -6.049 10.831 1.00 15.00 H new ATOM 0 HG1 THR A 440 -0.690 -7.932 12.060 1.00 15.00 H new ATOM 0 HG21 THR A 440 -1.472 -7.782 9.826 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.386 -7.038 8.628 1.00 15.00 H new ATOM 0 HG23 THR A 440 -0.023 -8.655 9.275 1.00 15.00 H new ATOM 163 N ALA A 441 3.084 -8.605 11.426 1.00 15.00 N ATOM 164 CA ALA A 441 3.818 -9.863 11.593 1.00 15.00 C ATOM 165 C ALA A 441 2.947 -11.080 11.271 1.00 15.00 C ATOM 166 O ALA A 441 3.405 -12.220 11.338 1.00 15.00 O ATOM 167 CB ALA A 441 4.369 -9.963 13.005 1.00 15.00 C ATOM 0 H ALA A 441 2.988 -8.066 12.287 1.00 15.00 H new ATOM 0 HA ALA A 441 4.646 -9.860 10.884 1.00 15.00 H new ATOM 0 HB1 ALA A 441 4.912 -10.901 13.118 1.00 15.00 H new ATOM 0 HB2 ALA A 441 5.044 -9.128 13.192 1.00 15.00 H new ATOM 0 HB3 ALA A 441 3.547 -9.932 13.720 1.00 15.00 H new ATOM 173 N ASP A 442 1.692 -10.823 10.920 1.00 15.00 N ATOM 174 CA ASP A 442 0.785 -11.850 10.414 1.00 15.00 C ATOM 175 C ASP A 442 1.246 -12.325 9.033 1.00 15.00 C ATOM 176 O ASP A 442 0.740 -13.306 8.488 1.00 15.00 O ATOM 177 CB ASP A 442 -0.638 -11.273 10.345 1.00 15.00 C ATOM 178 CG ASP A 442 -1.638 -12.183 9.655 1.00 15.00 C ATOM 179 OD1 ASP A 442 -2.040 -13.197 10.257 1.00 15.00 O1- ATOM 180 OD2 ASP A 442 -2.047 -11.871 8.511 1.00 15.00 O ATOM 0 H ASP A 442 1.273 -9.895 10.978 1.00 15.00 H new ATOM 0 HA ASP A 442 0.789 -12.709 11.085 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.986 -11.069 11.357 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -0.607 -10.318 9.820 1.00 15.00 H new ATOM 185 N GLY A 443 2.221 -11.618 8.477 1.00 15.00 N ATOM 186 CA GLY A 443 2.708 -11.930 7.153 1.00 15.00 C ATOM 187 C GLY A 443 1.934 -11.167 6.109 1.00 15.00 C ATOM 188 O GLY A 443 1.234 -11.755 5.285 1.00 15.00 O ATOM 0 H GLY A 443 2.685 -10.828 8.926 1.00 15.00 H new ATOM 0 HA2 GLY A 443 3.767 -11.682 7.082 1.00 15.00 H new ATOM 0 HA3 GLY A 443 2.618 -13.001 6.970 1.00 15.00 H new ATOM 192 N LYS A 444 2.043 -9.850 6.159 1.00 15.00 N ATOM 193 CA LYS A 444 1.246 -8.991 5.309 1.00 15.00 C ATOM 194 C LYS A 444 2.045 -7.764 4.887 1.00 15.00 C ATOM 195 O LYS A 444 2.358 -6.907 5.711 1.00 15.00 O ATOM 196 CB LYS A 444 -0.019 -8.564 6.064 1.00 15.00 C ATOM 197 CG LYS A 444 -1.203 -8.232 5.173 1.00 15.00 C ATOM 198 CD LYS A 444 -2.420 -7.811 5.991 1.00 15.00 C ATOM 199 CE LYS A 444 -2.725 -8.804 7.110 1.00 15.00 C ATOM 200 NZ LYS A 444 -3.078 -10.157 6.602 1.00 15.00 N1+ ATOM 0 H LYS A 444 2.679 -9.354 6.783 1.00 15.00 H new ATOM 0 HA LYS A 444 0.966 -9.540 4.410 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -0.307 -9.364 6.746 1.00 15.00 H new ATOM 0 HB3 LYS A 444 0.215 -7.692 6.675 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -0.930 -7.430 4.487 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -1.456 -9.100 4.564 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.246 -6.824 6.419 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.286 -7.726 5.335 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -1.858 -8.882 7.766 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -3.548 -8.422 7.714 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -2.510 -10.873 7.098 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -4.088 -10.339 6.771 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -2.883 -10.206 5.582 1.00 15.00 H new ATOM 214 N THR A 445 2.412 -7.713 3.615 1.00 15.00 N ATOM 215 CA THR A 445 3.044 -6.535 3.044 1.00 15.00 C ATOM 216 C THR A 445 2.135 -5.960 1.963 1.00 15.00 C ATOM 217 O THR A 445 2.213 -6.341 0.796 1.00 15.00 O ATOM 218 CB THR A 445 4.429 -6.872 2.453 1.00 15.00 C ATOM 219 OG1 THR A 445 5.236 -7.530 3.442 1.00 15.00 O ATOM 220 CG2 THR A 445 5.145 -5.616 1.974 1.00 15.00 C ATOM 0 H THR A 445 2.281 -8.480 2.955 1.00 15.00 H new ATOM 0 HA THR A 445 3.195 -5.799 3.834 1.00 15.00 H new ATOM 0 HB THR A 445 4.277 -7.532 1.599 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.113 -7.743 3.060 1.00 15.00 H new ATOM 0 HG21 THR A 445 6.118 -5.886 1.563 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.548 -5.128 1.203 1.00 15.00 H new ATOM 0 HG23 THR A 445 5.282 -4.933 2.813 1.00 15.00 H new ATOM 228 N LEU A 446 1.254 -5.064 2.371 1.00 15.00 N ATOM 229 CA LEU A 446 0.174 -4.599 1.517 1.00 15.00 C ATOM 230 C LEU A 446 0.158 -3.090 1.425 1.00 15.00 C ATOM 231 O LEU A 446 0.244 -2.399 2.432 1.00 15.00 O ATOM 232 CB LEU A 446 -1.146 -5.128 2.091 1.00 15.00 C ATOM 233 CG LEU A 446 -2.449 -4.484 1.594 1.00 15.00 C ATOM 234 CD1 LEU A 446 -2.545 -4.427 0.080 1.00 15.00 C ATOM 235 CD2 LEU A 446 -3.674 -5.165 2.199 1.00 15.00 C ATOM 0 H LEU A 446 1.266 -4.640 3.298 1.00 15.00 H new ATOM 0 HA LEU A 446 0.318 -4.974 0.504 1.00 15.00 H new ATOM 0 HB2 LEU A 446 -1.199 -6.196 1.882 1.00 15.00 H new ATOM 0 HB3 LEU A 446 -1.109 -5.017 3.175 1.00 15.00 H new ATOM 0 HG LEU A 446 -2.427 -3.451 1.940 1.00 15.00 H new ATOM 0 HD11 LEU A 446 -3.488 -3.962 -0.208 1.00 15.00 H new ATOM 0 HD12 LEU A 446 -1.715 -3.841 -0.315 1.00 15.00 H new ATOM 0 HD13 LEU A 446 -2.501 -5.438 -0.326 1.00 15.00 H new ATOM 0 HD21 LEU A 446 -4.579 -4.685 1.826 1.00 15.00 H new ATOM 0 HD22 LEU A 446 -3.680 -6.218 1.918 1.00 15.00 H new ATOM 0 HD23 LEU A 446 -3.639 -5.079 3.285 1.00 15.00 H new ATOM 247 N TYR A 447 0.073 -2.584 0.209 1.00 15.00 N ATOM 248 CA TYR A 447 -0.159 -1.174 -0.003 1.00 15.00 C ATOM 249 C TYR A 447 -1.424 -0.979 -0.831 1.00 15.00 C ATOM 250 O TYR A 447 -1.395 -1.007 -2.063 1.00 15.00 O ATOM 251 CB TYR A 447 1.055 -0.510 -0.660 1.00 15.00 C ATOM 252 CG TYR A 447 2.323 -0.653 0.156 1.00 15.00 C ATOM 253 CD1 TYR A 447 3.099 -1.804 0.077 1.00 15.00 C ATOM 254 CD2 TYR A 447 2.734 0.354 1.019 1.00 15.00 C ATOM 255 CE1 TYR A 447 4.247 -1.944 0.829 1.00 15.00 C ATOM 256 CE2 TYR A 447 3.888 0.219 1.776 1.00 15.00 C ATOM 257 CZ TYR A 447 4.637 -0.931 1.675 1.00 15.00 C ATOM 258 OH TYR A 447 5.785 -1.067 2.420 1.00 15.00 O ATOM 0 H TYR A 447 0.162 -3.132 -0.646 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.303 -0.689 0.962 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.213 -0.948 -1.645 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.845 0.549 -0.812 1.00 15.00 H new ATOM 0 HD1 TYR A 447 2.798 -2.603 -0.585 1.00 15.00 H new ATOM 0 HD2 TYR A 447 2.146 1.256 1.102 1.00 15.00 H new ATOM 0 HE1 TYR A 447 4.837 -2.845 0.754 1.00 15.00 H new ATOM 0 HE2 TYR A 447 4.197 1.012 2.441 1.00 15.00 H new ATOM 0 HH TYR A 447 5.919 -0.263 2.964 1.00 15.00 H new ATOM 268 N TYR A 448 -2.547 -0.863 -0.130 1.00 15.00 N ATOM 269 CA TYR A 448 -3.860 -0.686 -0.769 1.00 15.00 C ATOM 270 C TYR A 448 -4.186 0.796 -0.975 1.00 15.00 C ATOM 271 O TYR A 448 -4.209 1.575 -0.025 1.00 15.00 O ATOM 272 CB TYR A 448 -4.937 -1.370 0.090 1.00 15.00 C ATOM 273 CG TYR A 448 -6.374 -0.974 -0.214 1.00 15.00 C ATOM 274 CD1 TYR A 448 -7.052 -1.460 -1.334 1.00 15.00 C ATOM 275 CD2 TYR A 448 -7.064 -0.134 0.653 1.00 15.00 C ATOM 276 CE1 TYR A 448 -8.376 -1.114 -1.574 1.00 15.00 C ATOM 277 CE2 TYR A 448 -8.378 0.217 0.418 1.00 15.00 C ATOM 278 CZ TYR A 448 -9.028 -0.277 -0.692 1.00 15.00 C ATOM 279 OH TYR A 448 -10.343 0.064 -0.917 1.00 15.00 O ATOM 0 H TYR A 448 -2.581 -0.888 0.889 1.00 15.00 H new ATOM 0 HA TYR A 448 -3.836 -1.149 -1.756 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -4.843 -2.449 -0.034 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -4.733 -1.150 1.138 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -6.540 -2.114 -2.024 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -6.562 0.252 1.528 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -8.890 -1.497 -2.443 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -8.894 0.876 1.101 1.00 15.00 H new ATOM 0 HH TYR A 448 -10.653 0.659 -0.203 1.00 15.00 H new ATOM 289 N ASN A 449 -4.441 1.174 -2.228 1.00 15.00 N ATOM 290 CA ASN A 449 -4.736 2.566 -2.586 1.00 15.00 C ATOM 291 C ASN A 449 -5.970 2.659 -3.474 1.00 15.00 C ATOM 292 O ASN A 449 -6.237 1.773 -4.287 1.00 15.00 O ATOM 293 CB ASN A 449 -3.537 3.213 -3.273 1.00 15.00 C ATOM 294 CG ASN A 449 -3.792 4.646 -3.732 1.00 15.00 C ATOM 295 OD1 ASN A 449 -4.574 5.378 -3.139 1.00 15.00 O ATOM 296 ND2 ASN A 449 -3.103 5.065 -4.775 1.00 15.00 N ATOM 0 H ASN A 449 -4.450 0.531 -3.020 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.943 3.108 -1.663 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -2.689 3.206 -2.588 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.255 2.609 -4.136 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -3.214 6.023 -5.108 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -2.459 4.432 -5.249 1.00 15.00 H new ATOM 303 N ASN A 450 -6.662 3.786 -3.356 1.00 15.00 N ATOM 304 CA ASN A 450 -7.997 3.967 -3.898 1.00 15.00 C ATOM 305 C ASN A 450 -7.927 4.378 -5.357 1.00 15.00 C ATOM 306 O ASN A 450 -8.954 4.638 -5.983 1.00 15.00 O ATOM 307 CB ASN A 450 -8.767 5.015 -3.075 1.00 15.00 C ATOM 308 CG ASN A 450 -8.047 6.355 -2.973 1.00 15.00 C ATOM 309 OD1 ASN A 450 -7.343 6.777 -3.892 1.00 15.00 O ATOM 310 ND2 ASN A 450 -8.210 7.028 -1.842 1.00 15.00 N ATOM 0 H ASN A 450 -6.303 4.610 -2.873 1.00 15.00 H new ATOM 0 HA ASN A 450 -8.530 3.018 -3.837 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -9.747 5.171 -3.526 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.936 4.625 -2.071 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.745 7.926 -1.711 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -8.801 6.647 -1.103 1.00 15.00 H new ATOM 317 N ARG A 451 -6.695 4.469 -5.870 1.00 15.00 N ATOM 318 CA ARG A 451 -6.454 4.658 -7.318 1.00 15.00 C ATOM 319 C ARG A 451 -7.455 3.870 -8.161 1.00 15.00 C ATOM 320 O ARG A 451 -8.417 4.413 -8.699 1.00 15.00 O ATOM 321 CB ARG A 451 -5.050 4.223 -7.720 1.00 15.00 C ATOM 322 CG ARG A 451 -4.017 5.329 -7.649 1.00 15.00 C ATOM 323 CD ARG A 451 -2.709 4.893 -8.284 1.00 15.00 C ATOM 324 NE ARG A 451 -2.907 4.342 -9.625 1.00 15.00 N ATOM 325 CZ ARG A 451 -2.426 3.166 -10.027 1.00 15.00 C ATOM 326 NH1 ARG A 451 -1.726 2.413 -9.189 1.00 15.00 N1+ ATOM 327 NH2 ARG A 451 -2.650 2.743 -11.266 1.00 15.00 N ATOM 0 H ARG A 451 -5.844 4.416 -5.310 1.00 15.00 H new ATOM 0 HA ARG A 451 -6.573 5.725 -7.505 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -4.735 3.404 -7.073 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -5.079 3.832 -8.737 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -4.394 6.217 -8.157 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -3.846 5.606 -6.609 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -2.031 5.745 -8.339 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -2.231 4.145 -7.652 1.00 15.00 H new ATOM 0 HE ARG A 451 -3.447 4.892 -10.293 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -1.555 2.734 -8.236 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -1.358 1.513 -9.498 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -3.191 3.319 -11.911 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -2.281 1.843 -11.572 1.00 15.00 H new ATOM 341 N THR A 452 -7.195 2.585 -8.261 1.00 15.00 N ATOM 342 CA THR A 452 -8.077 1.638 -8.918 1.00 15.00 C ATOM 343 C THR A 452 -8.541 0.616 -7.892 1.00 15.00 C ATOM 344 O THR A 452 -9.286 -0.316 -8.203 1.00 15.00 O ATOM 345 CB THR A 452 -7.356 0.938 -10.083 1.00 15.00 C ATOM 346 OG1 THR A 452 -6.050 0.523 -9.660 1.00 15.00 O ATOM 347 CG2 THR A 452 -7.233 1.866 -11.283 1.00 15.00 C ATOM 0 H THR A 452 -6.350 2.158 -7.882 1.00 15.00 H new ATOM 0 HA THR A 452 -8.936 2.167 -9.330 1.00 15.00 H new ATOM 0 HB THR A 452 -7.943 0.068 -10.379 1.00 15.00 H new ATOM 0 HG1 THR A 452 -5.592 0.076 -10.402 1.00 15.00 H new ATOM 0 HG21 THR A 452 -6.720 1.347 -12.093 1.00 15.00 H new ATOM 0 HG22 THR A 452 -8.227 2.164 -11.616 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.664 2.752 -11.001 1.00 15.00 H new ATOM 355 N LEU A 453 -8.057 0.829 -6.664 1.00 15.00 N ATOM 356 CA LEU A 453 -8.070 -0.158 -5.590 1.00 15.00 C ATOM 357 C LEU A 453 -6.971 -1.159 -5.855 1.00 15.00 C ATOM 358 O LEU A 453 -7.122 -2.359 -5.634 1.00 15.00 O ATOM 359 CB LEU A 453 -9.418 -0.869 -5.408 1.00 15.00 C ATOM 360 CG LEU A 453 -10.566 -0.012 -4.869 1.00 15.00 C ATOM 361 CD1 LEU A 453 -11.517 -0.882 -4.072 1.00 15.00 C ATOM 362 CD2 LEU A 453 -10.053 1.137 -4.015 1.00 15.00 C ATOM 0 H LEU A 453 -7.636 1.716 -6.387 1.00 15.00 H new ATOM 0 HA LEU A 453 -7.903 0.373 -4.653 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -9.721 -1.281 -6.371 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -9.273 -1.712 -4.732 1.00 15.00 H new ATOM 0 HG LEU A 453 -11.096 0.424 -5.716 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -12.334 -0.271 -3.688 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -11.920 -1.665 -4.715 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -10.982 -1.337 -3.238 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -10.896 1.724 -3.650 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -9.494 0.739 -3.168 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -9.401 1.773 -4.614 1.00 15.00 H new ATOM 374 N GLU A 454 -5.832 -0.626 -6.265 1.00 15.00 N ATOM 375 CA GLU A 454 -4.698 -1.441 -6.634 1.00 15.00 C ATOM 376 C GLU A 454 -3.849 -1.684 -5.407 1.00 15.00 C ATOM 377 O GLU A 454 -3.309 -0.753 -4.805 1.00 15.00 O ATOM 378 CB GLU A 454 -3.881 -0.763 -7.737 1.00 15.00 C ATOM 379 CG GLU A 454 -2.695 -1.587 -8.218 1.00 15.00 C ATOM 380 CD GLU A 454 -2.100 -1.059 -9.507 1.00 15.00 C ATOM 381 OE1 GLU A 454 -1.260 -0.138 -9.451 1.00 15.00 O1- ATOM 382 OE2 GLU A 454 -2.477 -1.555 -10.586 1.00 15.00 O ATOM 0 H GLU A 454 -5.673 0.378 -6.349 1.00 15.00 H new ATOM 0 HA GLU A 454 -5.048 -2.396 -7.025 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -4.534 -0.555 -8.584 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -3.519 0.197 -7.370 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -1.927 -1.596 -7.445 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -3.011 -2.620 -8.365 1.00 15.00 H new ATOM 389 N SER A 455 -3.794 -2.935 -5.016 1.00 15.00 N ATOM 390 CA SER A 455 -3.077 -3.339 -3.833 1.00 15.00 C ATOM 391 C SER A 455 -1.717 -3.896 -4.217 1.00 15.00 C ATOM 392 O SER A 455 -1.622 -4.938 -4.869 1.00 15.00 O ATOM 393 CB SER A 455 -3.906 -4.379 -3.086 1.00 15.00 C ATOM 394 OG SER A 455 -5.200 -3.876 -2.803 1.00 15.00 O ATOM 0 H SER A 455 -4.247 -3.703 -5.512 1.00 15.00 H new ATOM 0 HA SER A 455 -2.914 -2.481 -3.181 1.00 15.00 H new ATOM 0 HB2 SER A 455 -3.986 -5.287 -3.684 1.00 15.00 H new ATOM 0 HB3 SER A 455 -3.405 -4.652 -2.157 1.00 15.00 H new ATOM 0 HG SER A 455 -5.718 -4.557 -2.325 1.00 15.00 H new ATOM 400 N THR A 456 -0.671 -3.181 -3.849 1.00 15.00 N ATOM 401 CA THR A 456 0.678 -3.602 -4.163 1.00 15.00 C ATOM 402 C THR A 456 1.270 -4.415 -3.020 1.00 15.00 C ATOM 403 O THR A 456 1.373 -3.942 -1.888 1.00 15.00 O ATOM 404 CB THR A 456 1.579 -2.394 -4.491 1.00 15.00 C ATOM 405 OG1 THR A 456 1.282 -1.301 -3.613 1.00 15.00 O ATOM 406 CG2 THR A 456 1.387 -1.957 -5.936 1.00 15.00 C ATOM 0 H THR A 456 -0.731 -2.304 -3.331 1.00 15.00 H new ATOM 0 HA THR A 456 0.630 -4.236 -5.049 1.00 15.00 H new ATOM 0 HB THR A 456 2.617 -2.696 -4.351 1.00 15.00 H new ATOM 0 HG1 THR A 456 1.742 -0.495 -3.927 1.00 15.00 H new ATOM 0 HG21 THR A 456 2.032 -1.104 -6.147 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.645 -2.780 -6.602 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.347 -1.674 -6.095 1.00 15.00 H new ATOM 414 N TRP A 457 1.613 -5.660 -3.319 1.00 15.00 N ATOM 415 CA TRP A 457 2.221 -6.548 -2.341 1.00 15.00 C ATOM 416 C TRP A 457 3.707 -6.657 -2.628 1.00 15.00 C ATOM 417 O TRP A 457 4.446 -7.395 -1.974 1.00 15.00 O ATOM 418 CB TRP A 457 1.491 -7.902 -2.340 1.00 15.00 C ATOM 419 CG TRP A 457 0.065 -7.698 -1.939 1.00 15.00 C ATOM 420 CD1 TRP A 457 -0.944 -7.245 -2.736 1.00 15.00 C ATOM 421 CD2 TRP A 457 -0.505 -7.875 -0.634 1.00 15.00 C ATOM 422 NE1 TRP A 457 -2.088 -7.087 -2.002 1.00 15.00 N ATOM 423 CE2 TRP A 457 -1.845 -7.470 -0.713 1.00 15.00 C ATOM 424 CE3 TRP A 457 -0.016 -8.327 0.596 1.00 15.00 C ATOM 425 CZ2 TRP A 457 -2.694 -7.479 0.386 1.00 15.00 C ATOM 426 CZ3 TRP A 457 -0.875 -8.350 1.681 1.00 15.00 C ATOM 427 CH2 TRP A 457 -2.190 -7.918 1.572 1.00 15.00 C ATOM 0 H TRP A 457 1.479 -6.080 -4.239 1.00 15.00 H new ATOM 0 HA TRP A 457 2.119 -6.148 -1.332 1.00 15.00 H new ATOM 0 HB2 TRP A 457 1.540 -8.355 -3.330 1.00 15.00 H new ATOM 0 HB3 TRP A 457 1.979 -8.590 -1.650 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -0.854 -7.041 -3.793 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.978 -6.740 -2.359 1.00 15.00 H new ATOM 0 HE3 TRP A 457 1.009 -8.651 0.697 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -3.719 -7.149 0.303 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -0.515 -8.712 2.633 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.825 -7.930 2.445 1.00 15.00 H new ATOM 438 N GLU A 458 4.118 -5.888 -3.625 1.00 15.00 N ATOM 439 CA GLU A 458 5.510 -5.571 -3.857 1.00 15.00 C ATOM 440 C GLU A 458 5.681 -4.076 -3.611 1.00 15.00 C ATOM 441 O GLU A 458 4.964 -3.266 -4.202 1.00 15.00 O ATOM 442 CB GLU A 458 5.924 -5.928 -5.285 1.00 15.00 C ATOM 443 CG GLU A 458 7.401 -5.699 -5.557 1.00 15.00 C ATOM 444 CD GLU A 458 7.781 -5.995 -6.991 1.00 15.00 C ATOM 445 OE1 GLU A 458 7.554 -5.131 -7.864 1.00 15.00 O1- ATOM 446 OE2 GLU A 458 8.300 -7.097 -7.259 1.00 15.00 O ATOM 0 H GLU A 458 3.483 -5.464 -4.301 1.00 15.00 H new ATOM 0 HA GLU A 458 6.145 -6.149 -3.186 1.00 15.00 H new ATOM 0 HB2 GLU A 458 5.685 -6.974 -5.475 1.00 15.00 H new ATOM 0 HB3 GLU A 458 5.336 -5.335 -5.985 1.00 15.00 H new ATOM 0 HG2 GLU A 458 7.653 -4.664 -5.324 1.00 15.00 H new ATOM 0 HG3 GLU A 458 7.991 -6.329 -4.891 1.00 15.00 H new ATOM 453 N LYS A 459 6.611 -3.719 -2.734 1.00 15.00 N ATOM 454 CA LYS A 459 6.735 -2.346 -2.249 1.00 15.00 C ATOM 455 C LYS A 459 7.007 -1.366 -3.392 1.00 15.00 C ATOM 456 O LYS A 459 7.991 -1.509 -4.117 1.00 15.00 O ATOM 457 CB LYS A 459 7.848 -2.267 -1.201 1.00 15.00 C ATOM 458 CG LYS A 459 7.777 -3.387 -0.172 1.00 15.00 C ATOM 459 CD LYS A 459 8.600 -3.078 1.065 1.00 15.00 C ATOM 460 CE LYS A 459 10.088 -3.044 0.757 1.00 15.00 C ATOM 461 NZ LYS A 459 10.595 -4.368 0.302 1.00 15.00 N1+ ATOM 0 H LYS A 459 7.296 -4.365 -2.341 1.00 15.00 H new ATOM 0 HA LYS A 459 5.787 -2.060 -1.793 1.00 15.00 H new ATOM 0 HB2 LYS A 459 8.815 -2.303 -1.703 1.00 15.00 H new ATOM 0 HB3 LYS A 459 7.790 -1.306 -0.689 1.00 15.00 H new ATOM 0 HG2 LYS A 459 6.738 -3.549 0.115 1.00 15.00 H new ATOM 0 HG3 LYS A 459 8.132 -4.314 -0.621 1.00 15.00 H new ATOM 0 HD2 LYS A 459 8.292 -2.117 1.476 1.00 15.00 H new ATOM 0 HD3 LYS A 459 8.404 -3.830 1.830 1.00 15.00 H new ATOM 0 HE2 LYS A 459 10.282 -2.298 -0.013 1.00 15.00 H new ATOM 0 HE3 LYS A 459 10.635 -2.733 1.647 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 11.633 -4.382 0.363 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 10.203 -5.117 0.908 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 10.304 -4.532 -0.683 1.00 15.00 H new ATOM 475 N PRO A 460 6.124 -0.364 -3.571 1.00 15.00 N ATOM 476 CA PRO A 460 6.264 0.640 -4.628 1.00 15.00 C ATOM 477 C PRO A 460 7.336 1.692 -4.302 1.00 15.00 C ATOM 478 O PRO A 460 8.521 1.449 -4.533 1.00 15.00 O ATOM 479 CB PRO A 460 4.857 1.254 -4.709 1.00 15.00 C ATOM 480 CG PRO A 460 4.309 1.113 -3.328 1.00 15.00 C ATOM 481 CD PRO A 460 4.910 -0.147 -2.757 1.00 15.00 C ATOM 0 HA PRO A 460 6.600 0.213 -5.573 1.00 15.00 H new ATOM 0 HB2 PRO A 460 4.897 2.299 -5.016 1.00 15.00 H new ATOM 0 HB3 PRO A 460 4.237 0.732 -5.438 1.00 15.00 H new ATOM 0 HG2 PRO A 460 4.568 1.978 -2.717 1.00 15.00 H new ATOM 0 HG3 PRO A 460 3.221 1.050 -3.347 1.00 15.00 H new ATOM 0 HD2 PRO A 460 5.153 -0.030 -1.701 1.00 15.00 H new ATOM 0 HD3 PRO A 460 4.222 -0.988 -2.835 1.00 15.00 H new ATOM 489 N GLN A 461 6.928 2.823 -3.697 1.00 15.00 N ATOM 490 CA GLN A 461 7.838 3.941 -3.419 1.00 15.00 C ATOM 491 C GLN A 461 7.054 5.213 -3.094 1.00 15.00 C ATOM 492 O GLN A 461 7.494 6.034 -2.295 1.00 15.00 O ATOM 493 CB GLN A 461 8.764 4.226 -4.610 1.00 15.00 C ATOM 494 CG GLN A 461 9.997 5.036 -4.246 1.00 15.00 C ATOM 495 CD GLN A 461 10.874 4.317 -3.242 1.00 15.00 C ATOM 496 OE1 GLN A 461 10.725 4.489 -2.031 1.00 15.00 O ATOM 497 NE2 GLN A 461 11.789 3.499 -3.737 1.00 15.00 N ATOM 0 H GLN A 461 5.968 2.983 -3.391 1.00 15.00 H new ATOM 0 HA GLN A 461 8.442 3.649 -2.560 1.00 15.00 H new ATOM 0 HB2 GLN A 461 9.079 3.279 -5.049 1.00 15.00 H new ATOM 0 HB3 GLN A 461 8.202 4.761 -5.376 1.00 15.00 H new ATOM 0 HG2 GLN A 461 10.573 5.243 -5.148 1.00 15.00 H new ATOM 0 HG3 GLN A 461 9.690 5.998 -3.836 1.00 15.00 H new ATOM 0 HE21 GLN A 461 11.879 3.386 -4.747 1.00 15.00 H new ATOM 0 HE22 GLN A 461 12.404 2.982 -3.109 1.00 15.00 H new ATOM 506 N GLU A 462 5.889 5.364 -3.725 1.00 15.00 N ATOM 507 CA GLU A 462 5.079 6.583 -3.608 1.00 15.00 C ATOM 508 C GLU A 462 4.432 6.751 -2.230 1.00 15.00 C ATOM 509 O GLU A 462 3.632 7.666 -2.029 1.00 15.00 O ATOM 510 CB GLU A 462 3.977 6.562 -4.664 1.00 15.00 C ATOM 511 CG GLU A 462 4.485 6.457 -6.085 1.00 15.00 C ATOM 512 CD GLU A 462 5.089 7.752 -6.576 1.00 15.00 C ATOM 513 OE1 GLU A 462 6.273 8.018 -6.285 1.00 15.00 O ATOM 514 OE2 GLU A 462 4.372 8.522 -7.248 1.00 15.00 O1- ATOM 0 H GLU A 462 5.480 4.651 -4.329 1.00 15.00 H new ATOM 0 HA GLU A 462 5.757 7.423 -3.755 1.00 15.00 H new ATOM 0 HB2 GLU A 462 3.313 5.721 -4.464 1.00 15.00 H new ATOM 0 HB3 GLU A 462 3.380 7.469 -4.569 1.00 15.00 H new ATOM 0 HG2 GLU A 462 5.232 5.665 -6.144 1.00 15.00 H new ATOM 0 HG3 GLU A 462 3.664 6.170 -6.742 1.00 15.00 H new ATOM 521 N LEU A 463 4.770 5.887 -1.284 1.00 15.00 N ATOM 522 CA LEU A 463 4.158 5.955 0.039 1.00 15.00 C ATOM 523 C LEU A 463 4.951 6.884 0.963 1.00 15.00 C ATOM 524 O LEU A 463 4.491 7.235 2.051 1.00 15.00 O ATOM 525 CB LEU A 463 3.953 4.541 0.650 1.00 15.00 C ATOM 526 CG LEU A 463 5.188 3.726 1.112 1.00 15.00 C ATOM 527 CD1 LEU A 463 6.313 3.736 0.090 1.00 15.00 C ATOM 528 CD2 LEU A 463 5.682 4.193 2.473 1.00 15.00 C ATOM 0 H LEU A 463 5.454 5.140 -1.402 1.00 15.00 H new ATOM 0 HA LEU A 463 3.164 6.387 -0.072 1.00 15.00 H new ATOM 0 HB2 LEU A 463 3.292 4.649 1.510 1.00 15.00 H new ATOM 0 HB3 LEU A 463 3.421 3.940 -0.088 1.00 15.00 H new ATOM 0 HG LEU A 463 4.857 2.692 1.205 1.00 15.00 H new ATOM 0 HD11 LEU A 463 7.152 3.150 0.466 1.00 15.00 H new ATOM 0 HD12 LEU A 463 5.959 3.303 -0.845 1.00 15.00 H new ATOM 0 HD13 LEU A 463 6.637 4.762 -0.085 1.00 15.00 H new ATOM 0 HD21 LEU A 463 6.549 3.601 2.768 1.00 15.00 H new ATOM 0 HD22 LEU A 463 5.963 5.245 2.417 1.00 15.00 H new ATOM 0 HD23 LEU A 463 4.889 4.068 3.210 1.00 15.00 H new ATOM 540 N LYS A 464 6.134 7.296 0.507 1.00 15.00 N ATOM 541 CA LYS A 464 6.976 8.226 1.252 1.00 15.00 C ATOM 542 C LYS A 464 8.139 8.684 0.386 1.00 15.00 C ATOM 543 O LYS A 464 8.051 8.528 -0.844 1.00 15.00 O ATOM 544 CB LYS A 464 7.523 7.583 2.530 1.00 15.00 C ATOM 545 CG LYS A 464 8.426 6.384 2.277 1.00 15.00 C ATOM 546 CD LYS A 464 9.358 6.133 3.451 1.00 15.00 C ATOM 547 CE LYS A 464 10.620 6.991 3.375 1.00 15.00 C ATOM 548 NZ LYS A 464 10.332 8.450 3.294 1.00 15.00 N1+ ATOM 549 OXT LYS A 464 9.141 9.191 0.942 1.00 15.00 O ATOM 0 H LYS A 464 6.532 6.996 -0.383 1.00 15.00 H new ATOM 0 HA LYS A 464 6.360 9.081 1.530 1.00 15.00 H new ATOM 0 HB2 LYS A 464 8.079 8.332 3.093 1.00 15.00 H new ATOM 0 HB3 LYS A 464 6.686 7.270 3.155 1.00 15.00 H new ATOM 0 HG2 LYS A 464 7.816 5.498 2.099 1.00 15.00 H new ATOM 0 HG3 LYS A 464 9.013 6.553 1.374 1.00 15.00 H new ATOM 0 HD2 LYS A 464 8.832 6.343 4.382 1.00 15.00 H new ATOM 0 HD3 LYS A 464 9.637 5.080 3.473 1.00 15.00 H new ATOM 0 HE2 LYS A 464 11.237 6.797 4.252 1.00 15.00 H new ATOM 0 HE3 LYS A 464 11.203 6.693 2.503 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 11.225 8.983 3.330 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 9.841 8.658 2.401 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 9.729 8.730 4.094 1.00 15.00 H new TER 563 LYS A 464