USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 263 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 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -104:sc= 0.605 (180deg=-1.56!) USER MOD Single : A 10 SER OG : rot -110:sc= -0.832 USER MOD Single : A 13 SER OG : rot -13:sc= 0.939 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -16:sc= 0.669 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -67:sc= 1.08 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.313 -3.891 -2.113 1.00 0.00 N ATOM 2 CA LYS A 1 -13.701 -2.554 -2.300 1.00 0.00 C ATOM 3 C LYS A 1 -12.406 -2.478 -1.501 1.00 0.00 C ATOM 4 O LYS A 1 -12.431 -2.278 -0.290 1.00 0.00 O ATOM 5 CB LYS A 1 -14.705 -1.500 -1.817 1.00 0.00 C ATOM 6 CG LYS A 1 -14.391 -0.073 -2.252 1.00 0.00 C ATOM 7 CD LYS A 1 -14.568 0.112 -3.753 1.00 0.00 C ATOM 8 CE LYS A 1 -14.476 1.580 -4.159 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.136 2.160 -3.884 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.198 -3.947 -2.657 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.655 -4.624 -2.446 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.517 -4.042 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.465 -2.375 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.696 -1.767 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.749 -1.532 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.043 0.621 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.367 0.175 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.805 -0.460 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.535 -0.289 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.699 1.675 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.233 2.151 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.186 2.762 -3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.452 1.393 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.831 2.731 -4.698 1.00 0.00 H new ATOM 25 N CYS A 2 -11.285 -2.672 -2.181 1.00 0.00 N ATOM 26 CA CYS A 2 -9.981 -2.648 -1.536 1.00 0.00 C ATOM 27 C CYS A 2 -8.889 -2.438 -2.571 1.00 0.00 C ATOM 28 O CYS A 2 -9.093 -2.681 -3.762 1.00 0.00 O ATOM 29 CB CYS A 2 -9.744 -3.946 -0.754 1.00 0.00 C ATOM 30 SG CYS A 2 -9.899 -5.468 -1.743 1.00 0.00 S ATOM 0 H CYS A 2 -11.253 -2.849 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.955 -1.817 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.747 -3.913 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.454 -3.992 0.072 1.00 0.00 H new ATOM 35 N LEU A 3 -7.744 -1.974 -2.108 1.00 0.00 N ATOM 36 CA LEU A 3 -6.605 -1.716 -2.969 1.00 0.00 C ATOM 37 C LEU A 3 -5.864 -3.015 -3.277 1.00 0.00 C ATOM 38 O LEU A 3 -5.400 -3.702 -2.371 1.00 0.00 O ATOM 39 CB LEU A 3 -5.672 -0.727 -2.281 1.00 0.00 C ATOM 40 CG LEU A 3 -6.320 0.591 -1.866 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.338 1.448 -1.086 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.833 1.344 -3.086 1.00 0.00 C ATOM 0 H LEU A 3 -7.577 -1.765 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.954 -1.292 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.253 -1.203 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.840 -0.510 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.168 0.366 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.819 2.383 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.020 0.914 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.469 1.663 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.291 2.281 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.002 1.556 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.573 0.735 -3.605 1.00 0.00 H new ATOM 54 N ALA A 4 -5.769 -3.355 -4.553 1.00 0.00 N ATOM 55 CA ALA A 4 -5.106 -4.584 -4.972 1.00 0.00 C ATOM 56 C ALA A 4 -3.582 -4.457 -4.986 1.00 0.00 C ATOM 57 O ALA A 4 -2.998 -3.632 -4.281 1.00 0.00 O ATOM 58 CB ALA A 4 -5.618 -4.998 -6.344 1.00 0.00 C ATOM 0 H ALA A 4 -6.143 -2.796 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.348 -5.353 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.121 -5.917 -6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.694 -5.166 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.406 -4.208 -7.065 1.00 0.00 H new ATOM 64 N GLU A 5 -2.959 -5.294 -5.800 1.00 0.00 N ATOM 65 CA GLU A 5 -1.513 -5.328 -5.951 1.00 0.00 C ATOM 66 C GLU A 5 -0.994 -4.038 -6.570 1.00 0.00 C ATOM 67 O GLU A 5 -1.487 -3.598 -7.611 1.00 0.00 O ATOM 68 CB GLU A 5 -1.125 -6.525 -6.824 1.00 0.00 C ATOM 69 CG GLU A 5 0.321 -6.519 -7.299 1.00 0.00 C ATOM 70 CD GLU A 5 1.312 -6.660 -6.166 1.00 0.00 C ATOM 71 OE1 GLU A 5 1.242 -7.669 -5.446 1.00 0.00 O ATOM 72 OE2 GLU A 5 2.162 -5.757 -5.997 1.00 0.00 O ATOM 0 H GLU A 5 -3.448 -5.976 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.061 -5.429 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.306 -7.442 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.780 -6.551 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.469 -7.334 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.519 -5.590 -7.835 1.00 0.00 H new ATOM 79 N ALA A 6 -0.004 -3.450 -5.907 1.00 0.00 N ATOM 80 CA ALA A 6 0.616 -2.206 -6.354 1.00 0.00 C ATOM 81 C ALA A 6 -0.412 -1.096 -6.433 1.00 0.00 C ATOM 82 O ALA A 6 -0.446 -0.334 -7.399 1.00 0.00 O ATOM 83 CB ALA A 6 1.299 -2.395 -7.702 1.00 0.00 C ATOM 0 H ALA A 6 0.392 -3.822 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 6 1.374 -1.924 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.754 -1.455 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.071 -3.160 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.562 -2.706 -8.443 1.00 0.00 H new ATOM 89 N ALA A 7 -1.266 -1.015 -5.427 1.00 0.00 N ATOM 90 CA ALA A 7 -2.309 0.010 -5.437 1.00 0.00 C ATOM 91 C ALA A 7 -1.961 1.178 -4.530 1.00 0.00 C ATOM 92 O ALA A 7 -1.620 0.985 -3.372 1.00 0.00 O ATOM 93 CB ALA A 7 -3.645 -0.589 -5.042 1.00 0.00 C ATOM 0 H ALA A 7 -1.265 -1.627 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.381 0.395 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.410 0.187 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.914 -1.375 -5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.573 -1.011 -4.039 1.00 0.00 H new ATOM 99 N ASP A 8 -2.062 2.390 -5.058 1.00 0.00 N ATOM 100 CA ASP A 8 -1.765 3.588 -4.281 1.00 0.00 C ATOM 101 C ASP A 8 -2.729 3.716 -3.105 1.00 0.00 C ATOM 102 O ASP A 8 -3.936 3.514 -3.244 1.00 0.00 O ATOM 103 CB ASP A 8 -1.810 4.836 -5.173 1.00 0.00 C ATOM 104 CG ASP A 8 -3.154 5.041 -5.851 1.00 0.00 C ATOM 105 OD1 ASP A 8 -4.052 5.651 -5.233 1.00 0.00 O ATOM 106 OD2 ASP A 8 -3.309 4.577 -7.002 1.00 0.00 O ATOM 0 H ASP A 8 -2.347 2.571 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.755 3.500 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.577 5.714 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.034 4.758 -5.935 1.00 0.00 H new ATOM 111 N CYS A 9 -2.186 4.020 -1.937 1.00 0.00 N ATOM 112 CA CYS A 9 -2.997 4.151 -0.739 1.00 0.00 C ATOM 113 C CYS A 9 -3.421 5.595 -0.536 1.00 0.00 C ATOM 114 O CYS A 9 -2.733 6.525 -0.958 1.00 0.00 O ATOM 115 CB CYS A 9 -2.240 3.663 0.493 1.00 0.00 C ATOM 116 SG CYS A 9 -1.274 2.141 0.222 1.00 0.00 S ATOM 0 H CYS A 9 -1.189 4.180 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.884 3.532 -0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.567 4.452 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.953 3.489 1.299 1.00 0.00 H new ATOM 121 N SER A 10 -4.548 5.778 0.125 1.00 0.00 N ATOM 122 CA SER A 10 -5.062 7.106 0.398 1.00 0.00 C ATOM 123 C SER A 10 -4.318 7.721 1.582 1.00 0.00 C ATOM 124 O SER A 10 -4.125 7.070 2.607 1.00 0.00 O ATOM 125 CB SER A 10 -6.557 7.024 0.681 1.00 0.00 C ATOM 126 OG SER A 10 -7.214 6.265 -0.321 1.00 0.00 O ATOM 0 H SER A 10 -5.127 5.019 0.484 1.00 0.00 H new ATOM 0 HA SER A 10 -4.905 7.744 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.723 6.569 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.981 8.028 0.721 1.00 0.00 H new ATOM 0 HG SER A 10 -7.770 6.858 -0.868 1.00 0.00 H new ATOM 132 N PRO A 11 -3.863 8.974 1.435 1.00 0.00 N ATOM 133 CA PRO A 11 -3.101 9.680 2.476 1.00 0.00 C ATOM 134 C PRO A 11 -3.883 9.897 3.772 1.00 0.00 C ATOM 135 O PRO A 11 -3.425 9.521 4.847 1.00 0.00 O ATOM 136 CB PRO A 11 -2.767 11.030 1.824 1.00 0.00 C ATOM 137 CG PRO A 11 -3.752 11.179 0.716 1.00 0.00 C ATOM 138 CD PRO A 11 -4.024 9.790 0.222 1.00 0.00 C ATOM 0 HA PRO A 11 -2.230 9.100 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.853 11.846 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.744 11.044 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.667 11.655 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.352 11.806 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.026 9.699 -0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.324 9.495 -0.560 1.00 0.00 H new ATOM 146 N TRP A 12 -5.052 10.519 3.673 1.00 0.00 N ATOM 147 CA TRP A 12 -5.862 10.788 4.855 1.00 0.00 C ATOM 148 C TRP A 12 -6.794 9.621 5.163 1.00 0.00 C ATOM 149 O TRP A 12 -6.749 9.048 6.249 1.00 0.00 O ATOM 150 CB TRP A 12 -6.680 12.070 4.672 1.00 0.00 C ATOM 151 CG TRP A 12 -5.847 13.275 4.348 1.00 0.00 C ATOM 152 CD1 TRP A 12 -5.137 14.040 5.227 1.00 0.00 C ATOM 153 CD2 TRP A 12 -5.659 13.865 3.057 1.00 0.00 C ATOM 154 NE1 TRP A 12 -4.504 15.059 4.558 1.00 0.00 N ATOM 155 CE2 TRP A 12 -4.811 14.976 3.226 1.00 0.00 C ATOM 156 CE3 TRP A 12 -6.120 13.559 1.773 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -4.415 15.780 2.160 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -5.728 14.360 0.717 1.00 0.00 C ATOM 159 CH2 TRP A 12 -4.882 15.458 0.915 1.00 0.00 C ATOM 0 H TRP A 12 -5.457 10.844 2.795 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.181 10.918 5.696 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -7.407 11.916 3.874 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.244 12.264 5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.081 13.869 6.292 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.902 15.764 4.984 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.770 12.712 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.763 16.627 2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -6.081 14.135 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.592 16.063 0.068 1.00 0.00 H new ATOM 170 N SER A 13 -7.641 9.281 4.200 1.00 0.00 N ATOM 171 CA SER A 13 -8.598 8.191 4.355 1.00 0.00 C ATOM 172 C SER A 13 -9.098 7.741 2.991 1.00 0.00 C ATOM 173 O SER A 13 -9.224 8.554 2.074 1.00 0.00 O ATOM 174 CB SER A 13 -9.791 8.630 5.216 1.00 0.00 C ATOM 175 OG SER A 13 -9.385 8.999 6.524 1.00 0.00 O ATOM 0 H SER A 13 -7.685 9.749 3.295 1.00 0.00 H new ATOM 0 HA SER A 13 -8.093 7.363 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.294 9.472 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.516 7.818 5.275 1.00 0.00 H new ATOM 0 HG SER A 13 -8.462 8.707 6.675 1.00 0.00 H new ATOM 181 N GLY A 14 -9.373 6.451 2.859 1.00 0.00 N ATOM 182 CA GLY A 14 -9.854 5.920 1.602 1.00 0.00 C ATOM 183 C GLY A 14 -9.977 4.414 1.634 1.00 0.00 C ATOM 184 O GLY A 14 -10.301 3.836 2.674 1.00 0.00 O ATOM 0 H GLY A 14 -9.271 5.761 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.825 6.358 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.174 6.211 0.801 1.00 0.00 H new ATOM 188 N ASP A 15 -9.709 3.781 0.502 1.00 0.00 N ATOM 189 CA ASP A 15 -9.785 2.329 0.393 1.00 0.00 C ATOM 190 C ASP A 15 -8.669 1.655 1.170 1.00 0.00 C ATOM 191 O ASP A 15 -7.558 2.175 1.277 1.00 0.00 O ATOM 192 CB ASP A 15 -9.706 1.876 -1.066 1.00 0.00 C ATOM 193 CG ASP A 15 -11.034 1.935 -1.791 1.00 0.00 C ATOM 194 OD1 ASP A 15 -11.637 3.025 -1.873 1.00 0.00 O ATOM 195 OD2 ASP A 15 -11.478 0.885 -2.311 1.00 0.00 O ATOM 0 H ASP A 15 -9.435 4.252 -0.360 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.747 2.036 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.985 2.501 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.327 0.854 -1.101 1.00 0.00 H new ATOM 200 N SER A 16 -8.969 0.481 1.684 1.00 0.00 N ATOM 201 CA SER A 16 -8.001 -0.304 2.425 1.00 0.00 C ATOM 202 C SER A 16 -7.425 -1.374 1.511 1.00 0.00 C ATOM 203 O SER A 16 -8.096 -1.824 0.592 1.00 0.00 O ATOM 204 CB SER A 16 -8.656 -0.939 3.646 1.00 0.00 C ATOM 205 OG SER A 16 -9.348 0.035 4.409 1.00 0.00 O ATOM 0 H SER A 16 -9.887 0.044 1.601 1.00 0.00 H new ATOM 0 HA SER A 16 -7.197 0.344 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.349 -1.719 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.897 -1.419 4.263 1.00 0.00 H new ATOM 0 HG SER A 16 -9.763 -0.393 5.187 1.00 0.00 H new ATOM 211 N CYS A 17 -6.188 -1.767 1.752 1.00 0.00 N ATOM 212 CA CYS A 17 -5.534 -2.781 0.930 1.00 0.00 C ATOM 213 C CYS A 17 -6.248 -4.125 1.034 1.00 0.00 C ATOM 214 O CYS A 17 -6.676 -4.526 2.117 1.00 0.00 O ATOM 215 CB CYS A 17 -4.078 -2.974 1.361 1.00 0.00 C ATOM 216 SG CYS A 17 -3.065 -1.460 1.341 1.00 0.00 S ATOM 0 H CYS A 17 -5.611 -1.402 2.510 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.574 -2.428 -0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.065 -3.389 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.615 -3.712 0.706 1.00 0.00 H new ATOM 221 N CYS A 18 -6.338 -4.830 -0.086 1.00 0.00 N ATOM 222 CA CYS A 18 -6.948 -6.148 -0.115 1.00 0.00 C ATOM 223 C CYS A 18 -6.067 -7.093 0.670 1.00 0.00 C ATOM 224 O CYS A 18 -4.846 -6.972 0.642 1.00 0.00 O ATOM 225 CB CYS A 18 -7.096 -6.669 -1.551 1.00 0.00 C ATOM 226 SG CYS A 18 -8.096 -5.622 -2.661 1.00 0.00 S ATOM 0 H CYS A 18 -5.993 -4.507 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.945 -6.085 0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.102 -6.782 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.543 -7.663 -1.515 1.00 0.00 H new ATOM 231 N LYS A 19 -6.674 -8.017 1.373 1.00 0.00 N ATOM 232 CA LYS A 19 -5.916 -8.958 2.163 1.00 0.00 C ATOM 233 C LYS A 19 -5.329 -10.048 1.274 1.00 0.00 C ATOM 234 O LYS A 19 -5.963 -10.482 0.313 1.00 0.00 O ATOM 235 CB LYS A 19 -6.804 -9.566 3.249 1.00 0.00 C ATOM 236 CG LYS A 19 -8.049 -10.260 2.717 1.00 0.00 C ATOM 237 CD LYS A 19 -8.856 -10.893 3.840 1.00 0.00 C ATOM 238 CE LYS A 19 -10.085 -11.614 3.306 1.00 0.00 C ATOM 239 NZ LYS A 19 -10.866 -12.264 4.395 1.00 0.00 N ATOM 0 H LYS A 19 -7.686 -8.138 1.415 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.092 -8.431 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.218 -10.284 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.107 -8.778 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.669 -9.539 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.760 -11.027 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.229 -11.597 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.163 -10.123 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.721 -10.904 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.777 -12.367 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.695 -12.744 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.267 -12.960 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.182 -11.542 5.074 1.00 0.00 H new ATOM 253 N PRO A 20 -4.096 -10.484 1.569 1.00 0.00 N ATOM 254 CA PRO A 20 -3.309 -10.002 2.691 1.00 0.00 C ATOM 255 C PRO A 20 -2.204 -9.006 2.301 1.00 0.00 C ATOM 256 O PRO A 20 -1.079 -9.119 2.781 1.00 0.00 O ATOM 257 CB PRO A 20 -2.686 -11.307 3.180 1.00 0.00 C ATOM 258 CG PRO A 20 -2.495 -12.135 1.937 1.00 0.00 C ATOM 259 CD PRO A 20 -3.359 -11.525 0.850 1.00 0.00 C ATOM 0 HA PRO A 20 -3.909 -9.449 3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.737 -11.127 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.336 -11.812 3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.447 -12.141 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.780 -13.171 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.758 -11.110 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.029 -12.261 0.405 1.00 0.00 H new ATOM 267 N TYR A 21 -2.514 -8.037 1.446 1.00 0.00 N ATOM 268 CA TYR A 21 -1.519 -7.045 1.036 1.00 0.00 C ATOM 269 C TYR A 21 -1.400 -5.948 2.082 1.00 0.00 C ATOM 270 O TYR A 21 -2.369 -5.603 2.758 1.00 0.00 O ATOM 271 CB TYR A 21 -1.843 -6.414 -0.332 1.00 0.00 C ATOM 272 CG TYR A 21 -1.962 -7.403 -1.476 1.00 0.00 C ATOM 273 CD1 TYR A 21 -2.937 -8.395 -1.482 1.00 0.00 C ATOM 274 CD2 TYR A 21 -1.091 -7.340 -2.554 1.00 0.00 C ATOM 275 CE1 TYR A 21 -3.037 -9.292 -2.528 1.00 0.00 C ATOM 276 CE2 TYR A 21 -1.185 -8.232 -3.601 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.157 -9.205 -3.585 1.00 0.00 C ATOM 278 OH TYR A 21 -2.250 -10.094 -4.630 1.00 0.00 O ATOM 0 H TYR A 21 -3.435 -7.915 1.026 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.571 -7.574 0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.779 -5.861 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.066 -5.690 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.628 -8.465 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.325 -6.578 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.800 -10.056 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.497 -8.167 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.556 -9.894 -5.293 1.00 0.00 H new ATOM 288 N LEU A 22 -0.205 -5.405 2.199 1.00 0.00 N ATOM 289 CA LEU A 22 0.074 -4.343 3.147 1.00 0.00 C ATOM 290 C LEU A 22 0.542 -3.101 2.399 1.00 0.00 C ATOM 291 O LEU A 22 1.309 -3.203 1.441 1.00 0.00 O ATOM 292 CB LEU A 22 1.145 -4.806 4.139 1.00 0.00 C ATOM 293 CG LEU A 22 1.575 -3.768 5.179 1.00 0.00 C ATOM 294 CD1 LEU A 22 0.421 -3.433 6.112 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.773 -4.276 5.969 1.00 0.00 C ATOM 0 H LEU A 22 0.600 -5.687 1.640 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.833 -4.099 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.773 -5.687 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.025 -5.117 3.577 1.00 0.00 H new ATOM 0 HG LEU A 22 1.866 -2.856 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.747 -2.694 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.409 -3.029 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.097 -4.336 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.068 -3.528 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.506 -5.201 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.604 -4.463 5.289 1.00 0.00 H new ATOM 307 N CYS A 23 0.080 -1.934 2.825 1.00 0.00 N ATOM 308 CA CYS A 23 0.470 -0.694 2.172 1.00 0.00 C ATOM 309 C CYS A 23 1.925 -0.370 2.475 1.00 0.00 C ATOM 310 O CYS A 23 2.268 0.049 3.581 1.00 0.00 O ATOM 311 CB CYS A 23 -0.425 0.466 2.611 1.00 0.00 C ATOM 312 SG CYS A 23 -0.018 2.057 1.815 1.00 0.00 S ATOM 0 H CYS A 23 -0.559 -1.820 3.612 1.00 0.00 H new ATOM 0 HA CYS A 23 0.351 -0.831 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.462 0.215 2.390 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.349 0.582 3.692 1.00 0.00 H new ATOM 317 N SER A 24 2.771 -0.561 1.483 1.00 0.00 N ATOM 318 CA SER A 24 4.183 -0.281 1.628 1.00 0.00 C ATOM 319 C SER A 24 4.452 1.172 1.270 1.00 0.00 C ATOM 320 O SER A 24 3.998 1.653 0.238 1.00 0.00 O ATOM 321 CB SER A 24 5.009 -1.219 0.745 1.00 0.00 C ATOM 322 OG SER A 24 4.592 -1.162 -0.609 1.00 0.00 O ATOM 0 H SER A 24 2.502 -0.911 0.563 1.00 0.00 H new ATOM 0 HA SER A 24 4.477 -0.450 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.063 -0.950 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.916 -2.241 1.112 1.00 0.00 H new ATOM 0 HG SER A 24 3.711 -0.736 -0.662 1.00 0.00 H new ATOM 328 N CYS A 25 5.172 1.869 2.126 1.00 0.00 N ATOM 329 CA CYS A 25 5.479 3.267 1.888 1.00 0.00 C ATOM 330 C CYS A 25 6.940 3.525 2.220 1.00 0.00 C ATOM 331 O CYS A 25 7.266 4.268 3.146 1.00 0.00 O ATOM 332 CB CYS A 25 4.563 4.166 2.721 1.00 0.00 C ATOM 333 SG CYS A 25 4.287 5.816 1.997 1.00 0.00 S ATOM 0 H CYS A 25 5.556 1.491 2.992 1.00 0.00 H new ATOM 0 HA CYS A 25 5.308 3.501 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.601 3.670 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.993 4.284 3.716 1.00 0.00 H new ATOM 338 N ILE A 26 7.816 2.881 1.464 1.00 0.00 N ATOM 339 CA ILE A 26 9.248 3.015 1.663 1.00 0.00 C ATOM 340 C ILE A 26 9.782 4.289 1.006 1.00 0.00 C ATOM 341 O ILE A 26 9.019 5.167 0.617 1.00 0.00 O ATOM 342 CB ILE A 26 10.030 1.775 1.150 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.638 1.407 -0.293 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.810 0.592 2.087 1.00 0.00 C ATOM 345 CD1 ILE A 26 8.392 0.544 -0.407 1.00 0.00 C ATOM 0 H ILE A 26 7.556 2.256 0.701 1.00 0.00 H new ATOM 0 HA ILE A 26 9.408 3.084 2.739 1.00 0.00 H new ATOM 0 HB ILE A 26 11.090 2.029 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.482 2.325 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.472 0.883 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.363 -0.272 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.162 0.849 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.747 0.353 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.190 0.333 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.548 -0.393 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.543 1.072 0.027 1.00 0.00 H new ATOM 357 N PHE A 27 11.098 4.389 0.926 1.00 0.00 N ATOM 358 CA PHE A 27 11.755 5.563 0.360 1.00 0.00 C ATOM 359 C PHE A 27 11.505 5.728 -1.139 1.00 0.00 C ATOM 360 O PHE A 27 10.986 6.749 -1.580 1.00 0.00 O ATOM 361 CB PHE A 27 13.262 5.483 0.601 1.00 0.00 C ATOM 362 CG PHE A 27 13.679 5.745 2.025 1.00 0.00 C ATOM 363 CD1 PHE A 27 13.155 5.002 3.072 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.601 6.740 2.313 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.542 5.244 4.376 1.00 0.00 C ATOM 366 CE2 PHE A 27 14.991 6.986 3.616 1.00 0.00 C ATOM 367 CZ PHE A 27 14.461 6.238 4.648 1.00 0.00 C ATOM 0 H PHE A 27 11.741 3.666 1.248 1.00 0.00 H new ATOM 0 HA PHE A 27 11.324 6.429 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.612 4.493 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.760 6.202 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.435 4.224 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 27 15.019 7.329 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.126 4.657 5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.710 7.763 3.827 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.765 6.430 5.667 1.00 0.00 H new ATOM 377 N PHE A 28 11.923 4.739 -1.920 1.00 0.00 N ATOM 378 CA PHE A 28 11.783 4.804 -3.372 1.00 0.00 C ATOM 379 C PHE A 28 10.339 4.590 -3.820 1.00 0.00 C ATOM 380 O PHE A 28 9.883 5.207 -4.781 1.00 0.00 O ATOM 381 CB PHE A 28 12.701 3.775 -4.040 1.00 0.00 C ATOM 382 CG PHE A 28 12.838 3.966 -5.527 1.00 0.00 C ATOM 383 CD1 PHE A 28 13.087 5.222 -6.059 1.00 0.00 C ATOM 384 CD2 PHE A 28 12.719 2.889 -6.391 1.00 0.00 C ATOM 385 CE1 PHE A 28 13.214 5.399 -7.423 1.00 0.00 C ATOM 386 CE2 PHE A 28 12.845 3.062 -7.757 1.00 0.00 C ATOM 387 CZ PHE A 28 13.092 4.318 -8.273 1.00 0.00 C ATOM 0 H PHE A 28 12.360 3.885 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 28 12.077 5.807 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.689 3.830 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.315 2.775 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.183 6.072 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.526 1.904 -5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.409 6.383 -7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.750 2.215 -8.420 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.190 4.455 -9.340 1.00 0.00 H new ATOM 397 N TYR A 29 9.626 3.716 -3.131 1.00 0.00 N ATOM 398 CA TYR A 29 8.238 3.443 -3.486 1.00 0.00 C ATOM 399 C TYR A 29 7.283 4.126 -2.522 1.00 0.00 C ATOM 400 O TYR A 29 7.359 3.917 -1.312 1.00 0.00 O ATOM 401 CB TYR A 29 7.945 1.940 -3.508 1.00 0.00 C ATOM 402 CG TYR A 29 8.634 1.178 -4.619 1.00 0.00 C ATOM 403 CD1 TYR A 29 10.010 0.988 -4.620 1.00 0.00 C ATOM 404 CD2 TYR A 29 7.897 0.634 -5.662 1.00 0.00 C ATOM 405 CE1 TYR A 29 10.631 0.280 -5.631 1.00 0.00 C ATOM 406 CE2 TYR A 29 8.510 -0.077 -6.674 1.00 0.00 C ATOM 407 CZ TYR A 29 9.876 -0.250 -6.655 1.00 0.00 C ATOM 408 OH TYR A 29 10.488 -0.959 -7.661 1.00 0.00 O ATOM 0 H TYR A 29 9.976 3.188 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 29 8.085 3.843 -4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.244 1.511 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.869 1.795 -3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.604 1.400 -3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.826 0.769 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.702 0.143 -5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.921 -0.496 -7.477 1.00 0.00 H new ATOM 0 HH TYR A 29 9.813 -1.265 -8.303 1.00 0.00 H new ATOM 418 N PRO A 30 6.358 4.938 -3.052 1.00 0.00 N ATOM 419 CA PRO A 30 5.369 5.648 -2.242 1.00 0.00 C ATOM 420 C PRO A 30 4.325 4.704 -1.661 1.00 0.00 C ATOM 421 O PRO A 30 4.303 3.517 -1.996 1.00 0.00 O ATOM 422 CB PRO A 30 4.727 6.621 -3.232 1.00 0.00 C ATOM 423 CG PRO A 30 4.907 5.981 -4.565 1.00 0.00 C ATOM 424 CD PRO A 30 6.198 5.211 -4.491 1.00 0.00 C ATOM 0 HA PRO A 30 5.820 6.141 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.672 6.776 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.208 7.599 -3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.072 5.319 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.946 6.731 -5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.149 4.289 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.033 5.790 -4.884 1.00 0.00 H new ATOM 432 N CYS A 31 3.476 5.235 -0.785 1.00 0.00 N ATOM 433 CA CYS A 31 2.433 4.447 -0.138 1.00 0.00 C ATOM 434 C CYS A 31 1.592 3.694 -1.167 1.00 0.00 C ATOM 435 O CYS A 31 0.765 4.284 -1.865 1.00 0.00 O ATOM 436 CB CYS A 31 1.519 5.348 0.702 1.00 0.00 C ATOM 437 SG CYS A 31 2.284 6.103 2.186 1.00 0.00 S ATOM 0 H CYS A 31 3.492 6.216 -0.506 1.00 0.00 H new ATOM 0 HA CYS A 31 2.925 3.723 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.144 6.148 0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.656 4.762 1.020 1.00 0.00 H new ATOM 442 N SER A 32 1.817 2.393 -1.255 1.00 0.00 N ATOM 443 CA SER A 32 1.099 1.544 -2.188 1.00 0.00 C ATOM 444 C SER A 32 1.029 0.114 -1.660 1.00 0.00 C ATOM 445 O SER A 32 2.019 -0.424 -1.163 1.00 0.00 O ATOM 446 CB SER A 32 1.782 1.574 -3.560 1.00 0.00 C ATOM 447 OG SER A 32 3.187 1.407 -3.439 1.00 0.00 O ATOM 0 H SER A 32 2.501 1.898 -0.683 1.00 0.00 H new ATOM 0 HA SER A 32 0.082 1.922 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.372 0.785 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.567 2.521 -4.055 1.00 0.00 H new ATOM 0 HG SER A 32 3.571 2.187 -2.987 1.00 0.00 H new ATOM 453 N CYS A 33 -0.148 -0.490 -1.754 1.00 0.00 N ATOM 454 CA CYS A 33 -0.354 -1.847 -1.286 1.00 0.00 C ATOM 455 C CYS A 33 0.449 -2.821 -2.115 1.00 0.00 C ATOM 456 O CYS A 33 0.372 -2.808 -3.354 1.00 0.00 O ATOM 457 CB CYS A 33 -1.829 -2.235 -1.343 1.00 0.00 C ATOM 458 SG CYS A 33 -2.947 -0.987 -0.627 1.00 0.00 S ATOM 0 H CYS A 33 -0.979 -0.054 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.020 -1.889 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.110 -2.407 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.967 -3.179 -0.815 1.00 0.00 H new ATOM 463 N ARG A 34 1.193 -3.653 -1.398 1.00 0.00 N ATOM 464 CA ARG A 34 2.042 -4.690 -1.955 1.00 0.00 C ATOM 465 C ARG A 34 1.872 -5.936 -1.097 1.00 0.00 C ATOM 466 O ARG A 34 1.383 -5.836 0.029 1.00 0.00 O ATOM 467 CB ARG A 34 3.514 -4.252 -1.942 1.00 0.00 C ATOM 468 CG ARG A 34 3.853 -3.171 -2.950 1.00 0.00 C ATOM 469 CD ARG A 34 3.746 -3.692 -4.370 1.00 0.00 C ATOM 470 NE ARG A 34 4.355 -2.781 -5.336 1.00 0.00 N ATOM 471 CZ ARG A 34 4.473 -3.055 -6.634 1.00 0.00 C ATOM 472 NH1 ARG A 34 3.945 -4.169 -7.130 1.00 0.00 N ATOM 473 NH2 ARG A 34 5.090 -2.197 -7.441 1.00 0.00 N ATOM 0 H ARG A 34 1.221 -3.621 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 34 1.759 -4.886 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.765 -3.893 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.141 -5.122 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.180 -2.324 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.864 -2.806 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.230 -4.666 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.696 -3.840 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 34 4.709 -1.886 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.449 -4.815 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.036 -4.378 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.473 -1.329 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.180 -2.407 -8.435 1.00 0.00 H new ATOM 487 N PRO A 35 2.256 -7.118 -1.596 1.00 0.00 N ATOM 488 CA PRO A 35 2.132 -8.363 -0.838 1.00 0.00 C ATOM 489 C PRO A 35 2.763 -8.247 0.545 1.00 0.00 C ATOM 490 O PRO A 35 3.746 -7.527 0.730 1.00 0.00 O ATOM 491 CB PRO A 35 2.892 -9.387 -1.678 1.00 0.00 C ATOM 492 CG PRO A 35 2.910 -8.832 -3.060 1.00 0.00 C ATOM 493 CD PRO A 35 2.841 -7.334 -2.929 1.00 0.00 C ATOM 0 HA PRO A 35 1.089 -8.632 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.904 -9.532 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.400 -10.359 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.817 -9.133 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.067 -9.209 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.829 -6.881 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.224 -6.893 -3.712 1.00 0.00 H new ATOM 501 N LYS A 36 2.203 -8.946 1.518 1.00 0.00 N ATOM 502 CA LYS A 36 2.730 -8.895 2.869 1.00 0.00 C ATOM 503 C LYS A 36 3.977 -9.761 2.959 1.00 0.00 C ATOM 504 O LYS A 36 3.895 -10.975 3.153 1.00 0.00 O ATOM 505 CB LYS A 36 1.686 -9.376 3.876 1.00 0.00 C ATOM 506 CG LYS A 36 2.138 -9.270 5.323 1.00 0.00 C ATOM 507 CD LYS A 36 1.259 -10.100 6.244 1.00 0.00 C ATOM 508 CE LYS A 36 1.363 -11.583 5.917 1.00 0.00 C ATOM 509 NZ LYS A 36 0.542 -12.415 6.837 1.00 0.00 N ATOM 0 H LYS A 36 1.390 -9.550 1.398 1.00 0.00 H new ATOM 0 HA LYS A 36 2.984 -7.862 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.774 -8.794 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.435 -10.414 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.172 -9.604 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.113 -8.227 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.553 -9.932 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.222 -9.776 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.040 -11.751 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.405 -11.896 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.641 -13.418 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.867 -12.275 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.457 -12.135 6.760 1.00 0.00 H new ATOM 523 N GLY A 37 5.119 -9.121 2.778 1.00 0.00 N ATOM 524 CA GLY A 37 6.384 -9.820 2.795 1.00 0.00 C ATOM 525 C GLY A 37 7.008 -9.813 1.419 1.00 0.00 C ATOM 526 O GLY A 37 7.500 -10.833 0.940 1.00 0.00 O ATOM 0 H GLY A 37 5.192 -8.116 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.058 -9.348 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.235 -10.847 3.128 1.00 0.00 H new ATOM 530 N TRP A 38 6.955 -8.647 0.784 1.00 0.00 N ATOM 531 CA TRP A 38 7.493 -8.461 -0.554 1.00 0.00 C ATOM 532 C TRP A 38 9.018 -8.384 -0.511 1.00 0.00 C ATOM 533 O TRP A 38 9.650 -8.566 -1.573 1.00 0.00 O ATOM 534 CB TRP A 38 6.902 -7.185 -1.179 1.00 0.00 C ATOM 535 CG TRP A 38 7.461 -5.909 -0.613 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.470 -5.160 -1.145 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.063 -5.240 0.594 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.721 -4.068 -0.351 1.00 0.00 N ATOM 539 CE2 TRP A 38 7.873 -4.096 0.724 1.00 0.00 C ATOM 540 CE3 TRP A 38 6.102 -5.495 1.577 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.752 -3.214 1.794 1.00 0.00 C ATOM 542 CZ3 TRP A 38 5.982 -4.619 2.638 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.804 -3.490 2.740 1.00 0.00 C ATOM 544 OXT TRP A 38 9.566 -8.127 0.585 1.00 0.00 O ATOM 0 H TRP A 38 6.538 -7.807 1.184 1.00 0.00 H new ATOM 0 HA TRP A 38 7.215 -9.316 -1.171 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.082 -7.203 -2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.821 -7.190 -1.037 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.996 -5.393 -2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.425 -3.352 -0.532 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.464 -6.363 1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.385 -2.342 1.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.242 -4.808 3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.687 -2.824 3.582 1.00 0.00 H new TER 555 TRP A 38