USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=9 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+ 166:sc= 1.2 (180deg=0.471) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 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 -63:sc= 1.28 USER MOD Single : A 24 SER OG : rot -0:sc= -1.76! USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -65:sc= 0.071 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.414) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.452 0.159 -2.629 1.00 0.00 N ATOM 2 CA LYS A 1 -12.845 -1.104 -3.120 1.00 0.00 C ATOM 3 C LYS A 1 -11.480 -1.298 -2.482 1.00 0.00 C ATOM 4 O LYS A 1 -10.803 -0.329 -2.182 1.00 0.00 O ATOM 5 CB LYS A 1 -12.708 -1.034 -4.646 1.00 0.00 C ATOM 6 CG LYS A 1 -12.079 -2.280 -5.257 1.00 0.00 C ATOM 7 CD LYS A 1 -11.760 -2.094 -6.730 1.00 0.00 C ATOM 8 CE LYS A 1 -11.035 -3.307 -7.293 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.671 -3.127 -8.725 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.262 0.412 -3.231 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.775 0.031 -1.649 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.744 0.920 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.481 -1.948 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.694 -0.882 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.104 -0.165 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.165 -2.527 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.758 -3.124 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.682 -1.928 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.143 -1.205 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.132 -3.492 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.668 -4.188 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.179 -3.977 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.534 -2.976 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.046 -2.302 -8.823 1.00 0.00 H new ATOM 25 N CYS A 2 -11.062 -2.534 -2.274 1.00 0.00 N ATOM 26 CA CYS A 2 -9.767 -2.755 -1.666 1.00 0.00 C ATOM 27 C CYS A 2 -8.656 -2.551 -2.679 1.00 0.00 C ATOM 28 O CYS A 2 -8.819 -2.797 -3.879 1.00 0.00 O ATOM 29 CB CYS A 2 -9.659 -4.136 -1.021 1.00 0.00 C ATOM 30 SG CYS A 2 -9.840 -5.542 -2.163 1.00 0.00 S ATOM 0 H CYS A 2 -11.585 -3.377 -2.510 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.657 -2.018 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.691 -4.213 -0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.421 -4.218 -0.246 1.00 0.00 H new ATOM 35 N LEU A 3 -7.547 -2.062 -2.173 1.00 0.00 N ATOM 36 CA LEU A 3 -6.377 -1.768 -2.979 1.00 0.00 C ATOM 37 C LEU A 3 -5.552 -3.028 -3.220 1.00 0.00 C ATOM 38 O LEU A 3 -5.195 -3.731 -2.282 1.00 0.00 O ATOM 39 CB LEU A 3 -5.556 -0.710 -2.258 1.00 0.00 C ATOM 40 CG LEU A 3 -6.314 0.590 -1.978 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.510 1.496 -1.067 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.650 1.304 -3.279 1.00 0.00 C ATOM 0 H LEU A 3 -7.427 -1.854 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.684 -1.395 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.203 -1.122 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.674 -0.481 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.246 0.338 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.068 2.414 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.323 0.988 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.560 1.739 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.189 2.226 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.729 1.540 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.273 0.658 -3.898 1.00 0.00 H new ATOM 54 N ALA A 4 -5.254 -3.317 -4.477 1.00 0.00 N ATOM 55 CA ALA A 4 -4.486 -4.508 -4.817 1.00 0.00 C ATOM 56 C ALA A 4 -2.997 -4.309 -4.554 1.00 0.00 C ATOM 57 O ALA A 4 -2.590 -3.325 -3.933 1.00 0.00 O ATOM 58 CB ALA A 4 -4.724 -4.884 -6.273 1.00 0.00 C ATOM 0 H ALA A 4 -5.530 -2.747 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.826 -5.322 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.146 -5.775 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.784 -5.085 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.413 -4.061 -6.917 1.00 0.00 H new ATOM 64 N GLU A 5 -2.188 -5.248 -5.023 1.00 0.00 N ATOM 65 CA GLU A 5 -0.756 -5.170 -4.831 1.00 0.00 C ATOM 66 C GLU A 5 -0.143 -4.134 -5.758 1.00 0.00 C ATOM 67 O GLU A 5 -0.472 -4.058 -6.941 1.00 0.00 O ATOM 68 CB GLU A 5 -0.099 -6.536 -5.017 1.00 0.00 C ATOM 69 CG GLU A 5 -0.520 -7.267 -6.277 1.00 0.00 C ATOM 70 CD GLU A 5 0.019 -8.678 -6.310 1.00 0.00 C ATOM 71 OE1 GLU A 5 1.256 -8.839 -6.349 1.00 0.00 O ATOM 72 OE2 GLU A 5 -0.796 -9.624 -6.265 1.00 0.00 O ATOM 0 H GLU A 5 -2.503 -6.070 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.571 -4.854 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.983 -6.406 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.334 -7.159 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.608 -7.291 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.164 -6.721 -7.151 1.00 0.00 H new ATOM 79 N ALA A 6 0.708 -3.313 -5.165 1.00 0.00 N ATOM 80 CA ALA A 6 1.380 -2.214 -5.841 1.00 0.00 C ATOM 81 C ALA A 6 0.380 -1.129 -6.200 1.00 0.00 C ATOM 82 O ALA A 6 0.518 -0.449 -7.213 1.00 0.00 O ATOM 83 CB ALA A 6 2.146 -2.694 -7.070 1.00 0.00 C ATOM 0 H ALA A 6 0.957 -3.393 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 6 2.114 -1.792 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.635 -1.845 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.898 -3.423 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.453 -3.157 -7.773 1.00 0.00 H new ATOM 89 N ALA A 7 -0.621 -0.964 -5.343 1.00 0.00 N ATOM 90 CA ALA A 7 -1.641 0.056 -5.563 1.00 0.00 C ATOM 91 C ALA A 7 -1.495 1.159 -4.531 1.00 0.00 C ATOM 92 O ALA A 7 -1.311 0.874 -3.356 1.00 0.00 O ATOM 93 CB ALA A 7 -3.034 -0.551 -5.503 1.00 0.00 C ATOM 0 H ALA A 7 -0.748 -1.518 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.503 0.480 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.778 0.228 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.131 -1.316 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.193 -1.001 -4.523 1.00 0.00 H new ATOM 99 N ASP A 8 -1.563 2.407 -4.968 1.00 0.00 N ATOM 100 CA ASP A 8 -1.423 3.549 -4.065 1.00 0.00 C ATOM 101 C ASP A 8 -2.460 3.508 -2.944 1.00 0.00 C ATOM 102 O ASP A 8 -3.576 3.023 -3.128 1.00 0.00 O ATOM 103 CB ASP A 8 -1.522 4.865 -4.845 1.00 0.00 C ATOM 104 CG ASP A 8 -2.861 5.053 -5.537 1.00 0.00 C ATOM 105 OD1 ASP A 8 -3.834 5.452 -4.863 1.00 0.00 O ATOM 106 OD2 ASP A 8 -2.935 4.785 -6.756 1.00 0.00 O ATOM 0 H ASP A 8 -1.715 2.660 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.437 3.489 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.353 5.698 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.728 4.898 -5.591 1.00 0.00 H new ATOM 111 N CYS A 9 -2.077 4.008 -1.777 1.00 0.00 N ATOM 112 CA CYS A 9 -2.969 4.027 -0.629 1.00 0.00 C ATOM 113 C CYS A 9 -2.883 5.344 0.112 1.00 0.00 C ATOM 114 O CYS A 9 -1.840 6.002 0.137 1.00 0.00 O ATOM 115 CB CYS A 9 -2.693 2.872 0.337 1.00 0.00 C ATOM 116 SG CYS A 9 -0.928 2.489 0.606 1.00 0.00 S ATOM 0 H CYS A 9 -1.154 4.406 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.978 3.905 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.148 3.107 1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.189 1.978 -0.040 1.00 0.00 H new ATOM 121 N SER A 10 -3.997 5.718 0.709 1.00 0.00 N ATOM 122 CA SER A 10 -4.092 6.956 1.458 1.00 0.00 C ATOM 123 C SER A 10 -3.478 6.792 2.846 1.00 0.00 C ATOM 124 O SER A 10 -3.842 5.886 3.593 1.00 0.00 O ATOM 125 CB SER A 10 -5.553 7.378 1.571 1.00 0.00 C ATOM 126 OG SER A 10 -6.181 7.386 0.300 1.00 0.00 O ATOM 0 H SER A 10 -4.860 5.174 0.689 1.00 0.00 H new ATOM 0 HA SER A 10 -3.537 7.731 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.081 6.696 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.615 8.371 2.017 1.00 0.00 H new ATOM 0 HG SER A 10 -7.117 7.658 0.399 1.00 0.00 H new ATOM 132 N PRO A 11 -2.526 7.667 3.195 1.00 0.00 N ATOM 133 CA PRO A 11 -1.832 7.628 4.491 1.00 0.00 C ATOM 134 C PRO A 11 -2.719 8.033 5.668 1.00 0.00 C ATOM 135 O PRO A 11 -2.664 7.423 6.733 1.00 0.00 O ATOM 136 CB PRO A 11 -0.706 8.647 4.308 1.00 0.00 C ATOM 137 CG PRO A 11 -1.235 9.596 3.294 1.00 0.00 C ATOM 138 CD PRO A 11 -2.033 8.760 2.340 1.00 0.00 C ATOM 0 HA PRO A 11 -1.499 6.619 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.472 9.154 5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.212 8.169 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.856 10.361 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.425 10.113 2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.852 9.325 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.420 8.386 1.520 1.00 0.00 H new ATOM 146 N TRP A 12 -3.517 9.078 5.479 1.00 0.00 N ATOM 147 CA TRP A 12 -4.386 9.567 6.540 1.00 0.00 C ATOM 148 C TRP A 12 -5.638 8.712 6.667 1.00 0.00 C ATOM 149 O TRP A 12 -6.027 8.335 7.771 1.00 0.00 O ATOM 150 CB TRP A 12 -4.784 11.025 6.289 1.00 0.00 C ATOM 151 CG TRP A 12 -3.621 11.970 6.243 1.00 0.00 C ATOM 152 CD1 TRP A 12 -2.966 12.515 7.309 1.00 0.00 C ATOM 153 CD2 TRP A 12 -2.994 12.505 5.071 1.00 0.00 C ATOM 154 NE1 TRP A 12 -1.959 13.340 6.873 1.00 0.00 N ATOM 155 CE2 TRP A 12 -1.957 13.354 5.503 1.00 0.00 C ATOM 156 CE3 TRP A 12 -3.203 12.344 3.698 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -1.135 14.039 4.613 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -2.386 13.026 2.816 1.00 0.00 C ATOM 159 CH2 TRP A 12 -1.363 13.864 3.276 1.00 0.00 C ATOM 0 H TRP A 12 -3.579 9.600 4.605 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.826 9.505 7.473 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.328 11.086 5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.470 11.345 7.074 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.205 12.325 8.345 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.316 13.858 7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.988 11.699 3.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.345 14.686 4.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.539 12.910 1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.742 14.382 2.561 1.00 0.00 H new ATOM 170 N SER A 13 -6.267 8.415 5.536 1.00 0.00 N ATOM 171 CA SER A 13 -7.482 7.608 5.530 1.00 0.00 C ATOM 172 C SER A 13 -7.952 7.346 4.104 1.00 0.00 C ATOM 173 O SER A 13 -7.887 8.231 3.247 1.00 0.00 O ATOM 174 CB SER A 13 -8.596 8.310 6.321 1.00 0.00 C ATOM 175 OG SER A 13 -9.708 7.453 6.519 1.00 0.00 O ATOM 0 H SER A 13 -5.957 8.720 4.613 1.00 0.00 H new ATOM 0 HA SER A 13 -7.254 6.654 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.209 8.636 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.915 9.205 5.787 1.00 0.00 H new ATOM 0 HG SER A 13 -10.400 7.927 7.027 1.00 0.00 H new ATOM 181 N GLY A 14 -8.427 6.132 3.862 1.00 0.00 N ATOM 182 CA GLY A 14 -8.914 5.755 2.551 1.00 0.00 C ATOM 183 C GLY A 14 -9.347 4.307 2.523 1.00 0.00 C ATOM 184 O GLY A 14 -9.582 3.712 3.577 1.00 0.00 O ATOM 0 H GLY A 14 -8.484 5.392 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.753 6.393 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.132 5.918 1.809 1.00 0.00 H new ATOM 188 N ASP A 15 -9.438 3.734 1.330 1.00 0.00 N ATOM 189 CA ASP A 15 -9.836 2.337 1.184 1.00 0.00 C ATOM 190 C ASP A 15 -8.746 1.410 1.693 1.00 0.00 C ATOM 191 O ASP A 15 -7.556 1.723 1.626 1.00 0.00 O ATOM 192 CB ASP A 15 -10.165 1.997 -0.269 1.00 0.00 C ATOM 193 CG ASP A 15 -11.648 2.111 -0.586 1.00 0.00 C ATOM 194 OD1 ASP A 15 -12.462 2.126 0.357 1.00 0.00 O ATOM 195 OD2 ASP A 15 -12.008 2.131 -1.786 1.00 0.00 O ATOM 0 H ASP A 15 -9.243 4.212 0.450 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.736 2.193 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.606 2.662 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.830 0.982 -0.483 1.00 0.00 H new ATOM 200 N SER A 16 -9.163 0.273 2.206 1.00 0.00 N ATOM 201 CA SER A 16 -8.241 -0.715 2.740 1.00 0.00 C ATOM 202 C SER A 16 -7.672 -1.587 1.626 1.00 0.00 C ATOM 203 O SER A 16 -8.330 -1.827 0.619 1.00 0.00 O ATOM 204 CB SER A 16 -8.949 -1.582 3.776 1.00 0.00 C ATOM 205 OG SER A 16 -9.670 -0.778 4.694 1.00 0.00 O ATOM 0 H SER A 16 -10.145 0.005 2.266 1.00 0.00 H new ATOM 0 HA SER A 16 -7.414 -0.190 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.629 -2.272 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.218 -2.188 4.312 1.00 0.00 H new ATOM 0 HG SER A 16 -10.119 -1.352 5.349 1.00 0.00 H new ATOM 211 N CYS A 17 -6.452 -2.057 1.813 1.00 0.00 N ATOM 212 CA CYS A 17 -5.797 -2.908 0.828 1.00 0.00 C ATOM 213 C CYS A 17 -6.395 -4.315 0.864 1.00 0.00 C ATOM 214 O CYS A 17 -6.751 -4.812 1.933 1.00 0.00 O ATOM 215 CB CYS A 17 -4.297 -2.999 1.116 1.00 0.00 C ATOM 216 SG CYS A 17 -3.521 -1.421 1.593 1.00 0.00 S ATOM 0 H CYS A 17 -5.890 -1.864 2.642 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.952 -2.469 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.137 -3.724 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.793 -3.384 0.230 1.00 0.00 H new ATOM 221 N CYS A 18 -6.481 -4.956 -0.295 1.00 0.00 N ATOM 222 CA CYS A 18 -7.000 -6.312 -0.394 1.00 0.00 C ATOM 223 C CYS A 18 -6.113 -7.252 0.396 1.00 0.00 C ATOM 224 O CYS A 18 -4.901 -7.060 0.478 1.00 0.00 O ATOM 225 CB CYS A 18 -7.049 -6.785 -1.852 1.00 0.00 C ATOM 226 SG CYS A 18 -7.993 -5.716 -2.995 1.00 0.00 S ATOM 0 H CYS A 18 -6.195 -4.553 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.013 -6.315 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.027 -6.870 -2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.482 -7.785 -1.877 1.00 0.00 H new ATOM 231 N LYS A 19 -6.716 -8.262 0.974 1.00 0.00 N ATOM 232 CA LYS A 19 -5.974 -9.225 1.749 1.00 0.00 C ATOM 233 C LYS A 19 -5.281 -10.219 0.824 1.00 0.00 C ATOM 234 O LYS A 19 -5.821 -10.588 -0.216 1.00 0.00 O ATOM 235 CB LYS A 19 -6.909 -9.952 2.714 1.00 0.00 C ATOM 236 CG LYS A 19 -8.091 -10.624 2.034 1.00 0.00 C ATOM 237 CD LYS A 19 -8.945 -11.392 3.027 1.00 0.00 C ATOM 238 CE LYS A 19 -8.202 -12.591 3.601 1.00 0.00 C ATOM 239 NZ LYS A 19 -9.049 -13.371 4.545 1.00 0.00 N ATOM 0 H LYS A 19 -7.719 -8.438 0.922 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.213 -8.704 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.339 -10.705 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.282 -9.240 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.701 -9.871 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.729 -11.304 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.246 -10.728 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.858 -11.730 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.875 -13.238 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.305 -12.249 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.506 -14.178 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.341 -12.761 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.893 -13.720 4.047 1.00 0.00 H new ATOM 253 N PRO A 20 -4.063 -10.645 1.180 1.00 0.00 N ATOM 254 CA PRO A 20 -3.383 -10.239 2.394 1.00 0.00 C ATOM 255 C PRO A 20 -2.274 -9.204 2.163 1.00 0.00 C ATOM 256 O PRO A 20 -1.193 -9.324 2.743 1.00 0.00 O ATOM 257 CB PRO A 20 -2.771 -11.568 2.828 1.00 0.00 C ATOM 258 CG PRO A 20 -2.453 -12.287 1.542 1.00 0.00 C ATOM 259 CD PRO A 20 -3.238 -11.601 0.439 1.00 0.00 C ATOM 0 HA PRO A 20 -4.048 -9.755 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.873 -11.413 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.467 -12.142 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.384 -12.249 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.727 -13.340 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.582 -11.102 -0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.846 -12.308 -0.126 1.00 0.00 H new ATOM 267 N TYR A 21 -2.525 -8.195 1.330 1.00 0.00 N ATOM 268 CA TYR A 21 -1.508 -7.170 1.058 1.00 0.00 C ATOM 269 C TYR A 21 -1.337 -6.227 2.254 1.00 0.00 C ATOM 270 O TYR A 21 -1.756 -6.546 3.373 1.00 0.00 O ATOM 271 CB TYR A 21 -1.844 -6.379 -0.216 1.00 0.00 C ATOM 272 CG TYR A 21 -2.131 -7.265 -1.411 1.00 0.00 C ATOM 273 CD1 TYR A 21 -1.255 -8.282 -1.772 1.00 0.00 C ATOM 274 CD2 TYR A 21 -3.278 -7.088 -2.174 1.00 0.00 C ATOM 275 CE1 TYR A 21 -1.515 -9.097 -2.857 1.00 0.00 C ATOM 276 CE2 TYR A 21 -3.544 -7.899 -3.262 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.660 -8.902 -3.599 1.00 0.00 C ATOM 278 OH TYR A 21 -2.925 -9.711 -4.678 1.00 0.00 O ATOM 0 H TYR A 21 -3.408 -8.062 0.837 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.560 -7.683 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.711 -5.746 -0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.012 -5.717 -0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.356 -8.438 -1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.974 -6.304 -1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.824 -9.883 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.440 -7.747 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.226 -9.593 -5.355 1.00 0.00 H new ATOM 288 N LEU A 22 -0.697 -5.082 2.029 1.00 0.00 N ATOM 289 CA LEU A 22 -0.450 -4.123 3.101 1.00 0.00 C ATOM 290 C LEU A 22 0.028 -2.784 2.546 1.00 0.00 C ATOM 291 O LEU A 22 0.928 -2.746 1.708 1.00 0.00 O ATOM 292 CB LEU A 22 0.622 -4.679 4.044 1.00 0.00 C ATOM 293 CG LEU A 22 0.949 -3.814 5.261 1.00 0.00 C ATOM 294 CD1 LEU A 22 -0.166 -3.902 6.287 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.277 -4.236 5.872 1.00 0.00 C ATOM 0 H LEU A 22 -0.341 -4.797 1.117 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.386 -3.965 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.298 -5.659 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.538 -4.831 3.473 1.00 0.00 H new ATOM 0 HG LEU A 22 1.036 -2.777 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.082 -3.281 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.098 -3.552 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.284 -4.937 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.495 -3.610 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.219 -5.279 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.070 -4.122 5.133 1.00 0.00 H new ATOM 307 N CYS A 23 -0.555 -1.693 3.033 1.00 0.00 N ATOM 308 CA CYS A 23 -0.155 -0.358 2.601 1.00 0.00 C ATOM 309 C CYS A 23 1.230 -0.055 3.151 1.00 0.00 C ATOM 310 O CYS A 23 1.482 -0.225 4.344 1.00 0.00 O ATOM 311 CB CYS A 23 -1.163 0.698 3.075 1.00 0.00 C ATOM 312 SG CYS A 23 -0.729 2.416 2.628 1.00 0.00 S ATOM 0 H CYS A 23 -1.304 -1.707 3.725 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.132 -0.327 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.141 0.463 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.257 0.631 4.159 1.00 0.00 H new ATOM 317 N SER A 24 2.133 0.361 2.283 1.00 0.00 N ATOM 318 CA SER A 24 3.492 0.651 2.692 1.00 0.00 C ATOM 319 C SER A 24 4.032 1.860 1.940 1.00 0.00 C ATOM 320 O SER A 24 3.898 1.955 0.722 1.00 0.00 O ATOM 321 CB SER A 24 4.364 -0.583 2.445 1.00 0.00 C ATOM 322 OG SER A 24 4.198 -1.064 1.124 1.00 0.00 O ATOM 0 H SER A 24 1.949 0.505 1.290 1.00 0.00 H new ATOM 0 HA SER A 24 3.508 0.892 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.411 -0.333 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.103 -1.366 3.157 1.00 0.00 H new ATOM 0 HG SER A 24 3.552 -0.501 0.650 1.00 0.00 H new ATOM 328 N CYS A 25 4.624 2.785 2.674 1.00 0.00 N ATOM 329 CA CYS A 25 5.174 3.994 2.082 1.00 0.00 C ATOM 330 C CYS A 25 6.695 3.972 2.193 1.00 0.00 C ATOM 331 O CYS A 25 7.275 4.618 3.066 1.00 0.00 O ATOM 332 CB CYS A 25 4.596 5.229 2.780 1.00 0.00 C ATOM 333 SG CYS A 25 4.326 6.657 1.680 1.00 0.00 S ATOM 0 H CYS A 25 4.737 2.723 3.686 1.00 0.00 H new ATOM 0 HA CYS A 25 4.902 4.039 1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.647 4.959 3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.270 5.527 3.583 1.00 0.00 H new ATOM 338 N ILE A 26 7.335 3.203 1.319 1.00 0.00 N ATOM 339 CA ILE A 26 8.787 3.082 1.328 1.00 0.00 C ATOM 340 C ILE A 26 9.447 4.147 0.452 1.00 0.00 C ATOM 341 O ILE A 26 8.804 5.099 0.019 1.00 0.00 O ATOM 342 CB ILE A 26 9.267 1.667 0.897 1.00 0.00 C ATOM 343 CG1 ILE A 26 8.703 1.255 -0.476 1.00 0.00 C ATOM 344 CG2 ILE A 26 8.897 0.642 1.961 1.00 0.00 C ATOM 345 CD1 ILE A 26 7.287 0.706 -0.443 1.00 0.00 C ATOM 0 H ILE A 26 6.870 2.654 0.595 1.00 0.00 H new ATOM 0 HA ILE A 26 9.096 3.239 2.361 1.00 0.00 H new ATOM 0 HB ILE A 26 10.352 1.703 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.727 2.121 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.360 0.502 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.238 -0.345 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.373 0.909 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.815 0.628 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.975 0.443 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.256 -0.182 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.613 1.462 -0.040 1.00 0.00 H new ATOM 357 N PHE A 27 10.742 3.987 0.224 1.00 0.00 N ATOM 358 CA PHE A 27 11.511 4.939 -0.574 1.00 0.00 C ATOM 359 C PHE A 27 11.391 4.652 -2.068 1.00 0.00 C ATOM 360 O PHE A 27 11.121 5.549 -2.862 1.00 0.00 O ATOM 361 CB PHE A 27 12.987 4.891 -0.177 1.00 0.00 C ATOM 362 CG PHE A 27 13.273 5.352 1.229 1.00 0.00 C ATOM 363 CD1 PHE A 27 12.777 4.660 2.324 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.051 6.477 1.452 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.047 5.083 3.611 1.00 0.00 C ATOM 366 CE2 PHE A 27 14.326 6.904 2.737 1.00 0.00 C ATOM 367 CZ PHE A 27 13.823 6.207 3.819 1.00 0.00 C ATOM 0 H PHE A 27 11.288 3.203 0.581 1.00 0.00 H new ATOM 0 HA PHE A 27 11.101 5.930 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.347 3.869 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.557 5.509 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.172 3.779 2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.447 7.027 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.652 4.536 4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 27 14.934 7.782 2.896 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.036 6.540 4.824 1.00 0.00 H new ATOM 377 N PHE A 28 11.623 3.396 -2.441 1.00 0.00 N ATOM 378 CA PHE A 28 11.569 2.977 -3.842 1.00 0.00 C ATOM 379 C PHE A 28 10.170 3.156 -4.420 1.00 0.00 C ATOM 380 O PHE A 28 10.003 3.384 -5.616 1.00 0.00 O ATOM 381 CB PHE A 28 12.004 1.513 -3.986 1.00 0.00 C ATOM 382 CG PHE A 28 13.473 1.277 -3.755 1.00 0.00 C ATOM 383 CD1 PHE A 28 14.074 1.628 -2.555 1.00 0.00 C ATOM 384 CD2 PHE A 28 14.253 0.697 -4.743 1.00 0.00 C ATOM 385 CE1 PHE A 28 15.421 1.405 -2.347 1.00 0.00 C ATOM 386 CE2 PHE A 28 15.601 0.472 -4.540 1.00 0.00 C ATOM 387 CZ PHE A 28 16.186 0.826 -3.341 1.00 0.00 C ATOM 0 H PHE A 28 11.852 2.645 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 28 12.257 3.612 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.435 0.906 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.745 1.166 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.481 2.081 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.801 0.417 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 28 15.876 1.683 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 28 16.197 0.019 -5.319 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.239 0.651 -3.180 1.00 0.00 H new ATOM 397 N TYR A 29 9.176 3.057 -3.556 1.00 0.00 N ATOM 398 CA TYR A 29 7.786 3.215 -3.956 1.00 0.00 C ATOM 399 C TYR A 29 7.044 3.998 -2.891 1.00 0.00 C ATOM 400 O TYR A 29 7.190 3.710 -1.707 1.00 0.00 O ATOM 401 CB TYR A 29 7.093 1.857 -4.147 1.00 0.00 C ATOM 402 CG TYR A 29 7.574 1.052 -5.334 1.00 0.00 C ATOM 403 CD1 TYR A 29 8.754 0.320 -5.278 1.00 0.00 C ATOM 404 CD2 TYR A 29 6.830 1.006 -6.506 1.00 0.00 C ATOM 405 CE1 TYR A 29 9.181 -0.428 -6.359 1.00 0.00 C ATOM 406 CE2 TYR A 29 7.248 0.259 -7.589 1.00 0.00 C ATOM 407 CZ TYR A 29 8.425 -0.455 -7.510 1.00 0.00 C ATOM 408 OH TYR A 29 8.841 -1.207 -8.582 1.00 0.00 O ATOM 0 H TYR A 29 9.306 2.866 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 29 7.769 3.746 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.235 1.264 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.021 2.025 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.347 0.336 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.908 1.565 -6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 29 10.102 -0.988 -6.301 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.657 0.234 -8.493 1.00 0.00 H new ATOM 0 HH TYR A 29 8.195 -1.119 -9.314 1.00 0.00 H new ATOM 418 N PRO A 30 6.238 4.991 -3.289 1.00 0.00 N ATOM 419 CA PRO A 30 5.470 5.808 -2.345 1.00 0.00 C ATOM 420 C PRO A 30 4.423 4.982 -1.600 1.00 0.00 C ATOM 421 O PRO A 30 4.449 3.751 -1.637 1.00 0.00 O ATOM 422 CB PRO A 30 4.790 6.859 -3.235 1.00 0.00 C ATOM 423 CG PRO A 30 5.519 6.809 -4.537 1.00 0.00 C ATOM 424 CD PRO A 30 6.008 5.398 -4.681 1.00 0.00 C ATOM 0 HA PRO A 30 6.104 6.243 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.732 6.635 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.852 7.851 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.862 7.081 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.351 7.513 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.271 4.762 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.921 5.345 -5.274 1.00 0.00 H new ATOM 432 N CYS A 31 3.503 5.659 -0.926 1.00 0.00 N ATOM 433 CA CYS A 31 2.456 4.978 -0.176 1.00 0.00 C ATOM 434 C CYS A 31 1.646 4.080 -1.105 1.00 0.00 C ATOM 435 O CYS A 31 0.829 4.555 -1.891 1.00 0.00 O ATOM 436 CB CYS A 31 1.537 5.993 0.513 1.00 0.00 C ATOM 437 SG CYS A 31 2.327 7.014 1.814 1.00 0.00 S ATOM 0 H CYS A 31 3.460 6.677 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 31 2.925 4.363 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.125 6.658 -0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.698 5.456 0.956 1.00 0.00 H new ATOM 442 N SER A 32 1.902 2.782 -1.024 1.00 0.00 N ATOM 443 CA SER A 32 1.225 1.814 -1.865 1.00 0.00 C ATOM 444 C SER A 32 1.124 0.464 -1.171 1.00 0.00 C ATOM 445 O SER A 32 2.067 0.020 -0.512 1.00 0.00 O ATOM 446 CB SER A 32 1.984 1.653 -3.189 1.00 0.00 C ATOM 447 OG SER A 32 3.383 1.541 -2.965 1.00 0.00 O ATOM 0 H SER A 32 2.579 2.376 -0.378 1.00 0.00 H new ATOM 0 HA SER A 32 0.217 2.180 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.624 0.767 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.783 2.509 -3.834 1.00 0.00 H new ATOM 0 HG SER A 32 3.722 2.379 -2.586 1.00 0.00 H new ATOM 453 N CYS A 33 -0.007 -0.200 -1.342 1.00 0.00 N ATOM 454 CA CYS A 33 -0.202 -1.511 -0.770 1.00 0.00 C ATOM 455 C CYS A 33 0.593 -2.486 -1.596 1.00 0.00 C ATOM 456 O CYS A 33 0.400 -2.564 -2.807 1.00 0.00 O ATOM 457 CB CYS A 33 -1.674 -1.928 -0.776 1.00 0.00 C ATOM 458 SG CYS A 33 -2.824 -0.659 -0.155 1.00 0.00 S ATOM 0 H CYS A 33 -0.802 0.153 -1.874 1.00 0.00 H new ATOM 0 HA CYS A 33 0.125 -1.498 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.959 -2.191 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.786 -2.828 -0.171 1.00 0.00 H new ATOM 463 N ARG A 34 1.486 -3.206 -0.951 1.00 0.00 N ATOM 464 CA ARG A 34 2.322 -4.178 -1.626 1.00 0.00 C ATOM 465 C ARG A 34 2.035 -5.547 -1.030 1.00 0.00 C ATOM 466 O ARG A 34 1.467 -5.633 0.064 1.00 0.00 O ATOM 467 CB ARG A 34 3.814 -3.835 -1.462 1.00 0.00 C ATOM 468 CG ARG A 34 4.153 -2.351 -1.567 1.00 0.00 C ATOM 469 CD ARG A 34 3.676 -1.713 -2.868 1.00 0.00 C ATOM 470 NE ARG A 34 4.303 -2.285 -4.064 1.00 0.00 N ATOM 471 CZ ARG A 34 5.616 -2.255 -4.324 1.00 0.00 C ATOM 472 NH1 ARG A 34 6.457 -1.664 -3.482 1.00 0.00 N ATOM 473 NH2 ARG A 34 6.082 -2.806 -5.443 1.00 0.00 N ATOM 0 H ARG A 34 1.653 -3.135 0.053 1.00 0.00 H new ATOM 0 HA ARG A 34 2.097 -4.171 -2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.150 -4.201 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.380 -4.376 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.704 -1.823 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.232 -2.225 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.595 -1.827 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.882 -0.643 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 34 3.695 -2.738 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.104 -1.229 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.456 -1.646 -3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.439 -3.249 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.082 -2.785 -5.644 1.00 0.00 H new ATOM 487 N PRO A 35 2.406 -6.632 -1.727 1.00 0.00 N ATOM 488 CA PRO A 35 2.183 -7.993 -1.236 1.00 0.00 C ATOM 489 C PRO A 35 2.755 -8.185 0.166 1.00 0.00 C ATOM 490 O PRO A 35 3.651 -7.451 0.589 1.00 0.00 O ATOM 491 CB PRO A 35 2.932 -8.877 -2.233 1.00 0.00 C ATOM 492 CG PRO A 35 3.068 -8.057 -3.471 1.00 0.00 C ATOM 493 CD PRO A 35 3.069 -6.616 -3.043 1.00 0.00 C ATOM 0 HA PRO A 35 1.121 -8.228 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.909 -9.166 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.383 -9.798 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.990 -8.304 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.245 -8.255 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.083 -6.221 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.530 -5.989 -3.753 1.00 0.00 H new ATOM 501 N LYS A 36 2.247 -9.165 0.891 1.00 0.00 N ATOM 502 CA LYS A 36 2.732 -9.419 2.234 1.00 0.00 C ATOM 503 C LYS A 36 4.056 -10.153 2.150 1.00 0.00 C ATOM 504 O LYS A 36 4.121 -11.279 1.662 1.00 0.00 O ATOM 505 CB LYS A 36 1.704 -10.229 3.025 1.00 0.00 C ATOM 506 CG LYS A 36 1.981 -10.312 4.522 1.00 0.00 C ATOM 507 CD LYS A 36 2.179 -8.935 5.152 1.00 0.00 C ATOM 508 CE LYS A 36 1.068 -7.959 4.781 1.00 0.00 C ATOM 509 NZ LYS A 36 -0.283 -8.456 5.154 1.00 0.00 N ATOM 0 H LYS A 36 1.506 -9.792 0.576 1.00 0.00 H new ATOM 0 HA LYS A 36 2.882 -8.474 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.719 -9.788 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.666 -11.240 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.152 -10.819 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.871 -10.918 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.221 -9.038 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.138 -8.527 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.249 -7.005 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.098 -7.772 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.935 -7.651 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.633 -9.098 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.228 -8.967 6.058 1.00 0.00 H new ATOM 523 N GLY A 37 5.111 -9.482 2.587 1.00 0.00 N ATOM 524 CA GLY A 37 6.436 -10.056 2.508 1.00 0.00 C ATOM 525 C GLY A 37 7.015 -9.852 1.124 1.00 0.00 C ATOM 526 O GLY A 37 7.502 -10.792 0.499 1.00 0.00 O ATOM 0 H GLY A 37 5.072 -8.548 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.085 -9.595 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.393 -11.120 2.738 1.00 0.00 H new ATOM 530 N TRP A 38 6.925 -8.611 0.649 1.00 0.00 N ATOM 531 CA TRP A 38 7.413 -8.243 -0.673 1.00 0.00 C ATOM 532 C TRP A 38 8.940 -8.276 -0.718 1.00 0.00 C ATOM 533 O TRP A 38 9.564 -8.272 0.368 1.00 0.00 O ATOM 534 CB TRP A 38 6.884 -6.846 -1.056 1.00 0.00 C ATOM 535 CG TRP A 38 7.512 -5.712 -0.285 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.753 -5.182 -0.489 1.00 0.00 C ATOM 537 CD2 TRP A 38 6.940 -4.978 0.810 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.991 -4.171 0.407 1.00 0.00 N ATOM 539 CE2 TRP A 38 7.896 -4.027 1.215 1.00 0.00 C ATOM 540 CE3 TRP A 38 5.717 -5.031 1.489 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.668 -3.141 2.266 1.00 0.00 C ATOM 542 CZ3 TRP A 38 5.494 -4.150 2.529 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.465 -3.217 2.909 1.00 0.00 C ATOM 544 OXT TRP A 38 9.499 -8.284 -1.836 1.00 0.00 O ATOM 0 H TRP A 38 6.513 -7.837 1.170 1.00 0.00 H new ATOM 0 HA TRP A 38 7.044 -8.969 -1.397 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.055 -6.685 -2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.806 -6.823 -0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.448 -5.511 -1.247 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.845 -3.617 0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.961 -5.748 1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.416 -2.420 2.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.553 -4.182 3.058 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.259 -2.543 3.727 1.00 0.00 H new