USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 148 hydrogens (7 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H3 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 13 DPR H : A 13 DPR N : A 12 LYS C :(H bumps) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.806 -2.607 1.499 1.00 0.00 N ATOM 2 CA THR A 1 6.571 -3.255 1.094 1.00 0.00 C ATOM 3 C THR A 1 5.377 -2.625 1.813 1.00 0.00 C ATOM 4 O THR A 1 5.236 -2.762 3.027 1.00 0.00 O ATOM 5 CB THR A 1 6.716 -4.755 1.357 1.00 0.00 C ATOM 6 OG1 THR A 1 5.848 -5.361 0.402 1.00 0.00 O ATOM 7 CG2 THR A 1 6.133 -5.172 2.708 1.00 0.00 C ATOM 0 H2 THR A 1 8.607 -3.046 1.002 1.00 0.00 H new ATOM 0 HA THR A 1 6.381 -3.114 0.030 1.00 0.00 H new ATOM 0 HB THR A 1 7.770 -5.030 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.882 -6.335 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.262 -6.246 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.650 -4.640 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.071 -4.928 2.737 1.00 0.00 H new ATOM 15 N TRP A 2 4.547 -1.948 1.033 1.00 0.00 N ATOM 16 CA TRP A 2 3.370 -1.296 1.580 1.00 0.00 C ATOM 17 C TRP A 2 2.157 -1.749 0.767 1.00 0.00 C ATOM 18 O TRP A 2 1.151 -2.176 1.331 1.00 0.00 O ATOM 19 CB TRP A 2 3.543 0.224 1.598 1.00 0.00 C ATOM 20 CG TRP A 2 3.530 0.837 3.001 1.00 0.00 C ATOM 21 CD1 TRP A 2 4.500 0.802 3.925 1.00 0.00 C ATOM 22 CD2 TRP A 2 2.450 1.580 3.605 1.00 0.00 C ATOM 23 NE1 TRP A 2 4.126 1.466 5.075 1.00 0.00 N ATOM 24 CE2 TRP A 2 2.840 1.953 4.874 1.00 0.00 C ATOM 25 CE3 TRP A 2 1.185 1.923 3.095 1.00 0.00 C ATOM 26 CZ2 TRP A 2 2.024 2.692 5.740 1.00 0.00 C ATOM 27 CZ3 TRP A 2 0.382 2.660 3.973 1.00 0.00 C ATOM 28 CH2 TRP A 2 0.760 3.045 5.254 1.00 0.00 C ATOM 0 H TRP A 2 4.667 -1.837 0.026 1.00 0.00 H new ATOM 0 HA TRP A 2 3.219 -1.584 2.620 1.00 0.00 H new ATOM 0 HB2 TRP A 2 4.484 0.478 1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 2 2.746 0.677 1.008 1.00 0.00 H new ATOM 0 HD1 TRP A 2 5.454 0.315 3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 2 4.690 1.579 5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 2 0.859 1.640 2.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 2.353 2.974 6.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.601 2.950 3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 2 0.081 3.614 5.872 1.00 0.00 H new ATOM 39 N LEU A 3 2.292 -1.642 -0.547 1.00 0.00 N ATOM 40 CA LEU A 3 1.219 -2.036 -1.444 1.00 0.00 C ATOM 41 C LEU A 3 -0.009 -1.163 -1.180 1.00 0.00 C ATOM 42 O LEU A 3 -0.175 -0.635 -0.080 1.00 0.00 O ATOM 43 CB LEU A 3 0.944 -3.536 -1.325 1.00 0.00 C ATOM 44 CG LEU A 3 2.175 -4.443 -1.296 1.00 0.00 C ATOM 45 CD1 LEU A 3 2.020 -5.546 -0.247 1.00 0.00 C ATOM 46 CD2 LEU A 3 2.469 -5.013 -2.686 1.00 0.00 C ATOM 0 H LEU A 3 3.128 -1.288 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 3 1.511 -1.870 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.369 -3.709 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.315 -3.837 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 3 3.035 -3.840 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.909 -6.176 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.895 -5.096 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.145 -6.152 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.349 -5.654 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.614 -5.596 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.654 -4.195 -3.383 1.00 0.00 H new ATOM 58 N LYS A 4 -0.838 -1.036 -2.205 1.00 0.00 N ATOM 59 CA LYS A 4 -2.046 -0.235 -2.096 1.00 0.00 C ATOM 60 C LYS A 4 -3.269 -1.150 -2.190 1.00 0.00 C ATOM 61 O LYS A 4 -3.939 -1.193 -3.222 1.00 0.00 O ATOM 62 CB LYS A 4 -2.038 0.889 -3.133 1.00 0.00 C ATOM 63 CG LYS A 4 -2.987 2.018 -2.725 1.00 0.00 C ATOM 64 CD LYS A 4 -2.751 3.267 -3.575 1.00 0.00 C ATOM 65 CE LYS A 4 -3.913 3.500 -4.544 1.00 0.00 C ATOM 66 NZ LYS A 4 -3.633 2.862 -5.850 1.00 0.00 N ATOM 0 H LYS A 4 -0.697 -1.474 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.090 0.259 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.027 1.281 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.334 0.494 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.020 1.688 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.841 2.258 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.634 4.135 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.822 3.160 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.833 3.093 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.071 4.570 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.431 3.029 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.767 3.269 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.505 1.839 -5.716 1.00 0.00 H new ATOM 80 N LYS A 5 -3.523 -1.859 -1.100 1.00 0.00 N ATOM 81 CA LYS A 5 -4.654 -2.770 -1.047 1.00 0.00 C ATOM 82 C LYS A 5 -5.933 -1.974 -0.778 1.00 0.00 C ATOM 83 O LYS A 5 -6.682 -1.665 -1.703 1.00 0.00 O ATOM 84 CB LYS A 5 -4.397 -3.884 -0.030 1.00 0.00 C ATOM 85 CG LYS A 5 -4.610 -5.262 -0.660 1.00 0.00 C ATOM 86 CD LYS A 5 -3.359 -5.721 -1.409 1.00 0.00 C ATOM 87 CE LYS A 5 -3.687 -6.856 -2.381 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.802 -8.142 -1.656 1.00 0.00 N ATOM 0 H LYS A 5 -2.965 -1.821 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.786 -3.270 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.378 -3.807 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.064 -3.763 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.860 -5.986 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.456 -5.225 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.930 -4.882 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.606 -6.055 -0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.621 -6.640 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.909 -6.928 -3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.025 -8.902 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.902 -8.354 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.560 -8.074 -0.947 1.00 0.00 H new ATOM 102 N ARG A 6 -6.143 -1.665 0.493 1.00 0.00 N ATOM 103 CA ARG A 6 -7.317 -0.910 0.895 1.00 0.00 C ATOM 104 C ARG A 6 -6.949 0.110 1.975 1.00 0.00 C ATOM 105 O ARG A 6 -6.610 -0.263 3.097 1.00 0.00 O ATOM 106 CB ARG A 6 -8.410 -1.837 1.431 1.00 0.00 C ATOM 107 CG ARG A 6 -9.800 -1.332 1.039 1.00 0.00 C ATOM 108 CD ARG A 6 -10.165 -1.777 -0.379 1.00 0.00 C ATOM 109 NE ARG A 6 -11.333 -1.009 -0.866 1.00 0.00 N ATOM 110 CZ ARG A 6 -12.607 -1.347 -0.626 1.00 0.00 C ATOM 111 NH1 ARG A 6 -12.885 -2.442 0.096 1.00 0.00 N ATOM 112 NH2 ARG A 6 -13.603 -0.591 -1.108 1.00 0.00 N ATOM 0 H ARG A 6 -5.520 -1.924 1.258 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.695 -0.391 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.262 -2.844 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.336 -1.902 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.540 -1.709 1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.826 -0.244 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.316 -1.626 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.391 -2.843 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.157 -0.170 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.127 -3.017 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.855 -2.700 0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.391 0.242 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.573 -0.848 -0.925 1.00 0.00 H new ATOM 126 N ARG A 7 -7.029 1.378 1.598 1.00 0.00 N ATOM 127 CA ARG A 7 -6.708 2.454 2.519 1.00 0.00 C ATOM 128 C ARG A 7 -5.200 2.710 2.533 1.00 0.00 C ATOM 129 O ARG A 7 -4.749 3.763 2.980 1.00 0.00 O ATOM 130 CB ARG A 7 -7.176 2.123 3.938 1.00 0.00 C ATOM 131 CG ARG A 7 -7.849 3.331 4.590 1.00 0.00 C ATOM 132 CD ARG A 7 -9.244 2.968 5.106 1.00 0.00 C ATOM 133 NE ARG A 7 -9.870 4.149 5.744 1.00 0.00 N ATOM 134 CZ ARG A 7 -10.388 5.182 5.067 1.00 0.00 C ATOM 135 NH1 ARG A 7 -10.359 5.188 3.728 1.00 0.00 N ATOM 136 NH2 ARG A 7 -10.936 6.210 5.730 1.00 0.00 N ATOM 0 H ARG A 7 -7.312 1.684 0.667 1.00 0.00 H new ATOM 0 HA ARG A 7 -7.228 3.349 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.873 1.286 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.325 1.807 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.235 3.693 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.924 4.144 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.866 2.617 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.174 2.151 5.824 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.909 4.177 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.942 4.406 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.754 5.975 3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.958 6.205 6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.331 6.997 5.215 1.00 0.00 H new ATOM 150 N TRP A 8 -4.461 1.728 2.039 1.00 0.00 N ATOM 151 CA TRP A 8 -3.013 1.833 1.989 1.00 0.00 C ATOM 152 C TRP A 8 -2.642 2.698 0.784 1.00 0.00 C ATOM 153 O TRP A 8 -3.516 3.282 0.143 1.00 0.00 O ATOM 154 CB TRP A 8 -2.364 0.447 1.952 1.00 0.00 C ATOM 155 CG TRP A 8 -2.315 -0.254 3.310 1.00 0.00 C ATOM 156 CD1 TRP A 8 -1.807 0.209 4.460 1.00 0.00 C ATOM 157 CD2 TRP A 8 -2.819 -1.571 3.617 1.00 0.00 C ATOM 158 NE1 TRP A 8 -1.945 -0.710 5.481 1.00 0.00 N ATOM 159 CE2 TRP A 8 -2.580 -1.827 4.951 1.00 0.00 C ATOM 160 CE3 TRP A 8 -3.456 -2.516 2.793 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -2.945 -3.024 5.580 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -3.813 -3.707 3.436 1.00 0.00 C ATOM 163 CH2 TRP A 8 -3.580 -3.979 4.778 1.00 0.00 C ATOM 0 H TRP A 8 -4.838 0.855 1.670 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.630 2.311 2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.913 -0.181 1.250 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.349 0.543 1.567 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -1.347 1.180 4.574 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.638 -0.591 6.446 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.654 -2.337 1.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.747 -3.200 6.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.304 -4.468 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.888 -4.924 5.201 1.00 0.00 H new ATOM 174 N LYS A 9 -1.348 2.754 0.510 1.00 0.00 N ATOM 175 CA LYS A 9 -0.851 3.538 -0.608 1.00 0.00 C ATOM 176 C LYS A 9 -0.028 2.639 -1.531 1.00 0.00 C ATOM 177 O LYS A 9 0.035 1.427 -1.330 1.00 0.00 O ATOM 178 CB LYS A 9 -0.088 4.765 -0.104 1.00 0.00 C ATOM 179 CG LYS A 9 -0.513 6.025 -0.863 1.00 0.00 C ATOM 180 CD LYS A 9 0.419 7.196 -0.546 1.00 0.00 C ATOM 181 CE LYS A 9 -0.379 8.460 -0.223 1.00 0.00 C ATOM 182 NZ LYS A 9 0.382 9.331 0.701 1.00 0.00 N ATOM 0 H LYS A 9 -0.627 2.269 1.044 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.680 3.927 -1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.271 4.899 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.984 4.607 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.504 5.828 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.537 6.287 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.057 6.939 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.075 7.383 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.602 9.002 -1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.334 8.189 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.174 10.185 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.573 8.817 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.282 9.604 0.258 1.00 0.00 H new ATOM 196 N LYS A 10 0.583 3.267 -2.526 1.00 0.00 N ATOM 197 CA LYS A 10 1.400 2.537 -3.481 1.00 0.00 C ATOM 198 C LYS A 10 2.210 1.470 -2.743 1.00 0.00 C ATOM 199 O LYS A 10 1.756 0.337 -2.589 1.00 0.00 O ATOM 200 CB LYS A 10 2.258 3.504 -4.300 1.00 0.00 C ATOM 201 CG LYS A 10 3.124 2.748 -5.309 1.00 0.00 C ATOM 202 CD LYS A 10 4.561 3.275 -5.302 1.00 0.00 C ATOM 203 CE LYS A 10 5.561 2.141 -5.537 1.00 0.00 C ATOM 204 NZ LYS A 10 5.851 1.998 -6.982 1.00 0.00 N ATOM 0 H LYS A 10 0.529 4.272 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 10 0.770 2.016 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.615 4.211 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.894 4.086 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.122 1.684 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.700 2.852 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.678 4.034 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.771 3.758 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.484 2.343 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.159 1.206 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.531 1.224 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.971 1.784 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.255 2.885 -7.344 1.00 0.00 H new ATOM 218 N ALA A 11 3.395 1.868 -2.306 1.00 0.00 N ATOM 219 CA ALA A 11 4.273 0.960 -1.589 1.00 0.00 C ATOM 220 C ALA A 11 5.514 1.722 -1.118 1.00 0.00 C ATOM 221 O ALA A 11 5.674 1.978 0.074 1.00 0.00 O ATOM 222 CB ALA A 11 4.623 -0.228 -2.486 1.00 0.00 C ATOM 0 H ALA A 11 3.768 2.809 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 11 3.775 0.564 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.282 -0.909 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.710 -0.753 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.127 0.130 -3.384 1.00 0.00 H new ATOM 228 N LYS A 12 6.360 2.060 -2.080 1.00 0.00 N ATOM 229 CA LYS A 12 7.582 2.787 -1.779 1.00 0.00 C ATOM 230 C LYS A 12 8.454 1.946 -0.843 1.00 0.00 C ATOM 231 O LYS A 12 8.068 1.512 0.243 1.00 0.00 O ATOM 232 CB LYS A 12 7.257 4.178 -1.232 1.00 0.00 C ATOM 233 CG LYS A 12 7.426 5.246 -2.313 1.00 0.00 C ATOM 234 CD LYS A 12 7.806 6.595 -1.698 1.00 0.00 C ATOM 235 CE LYS A 12 7.262 7.753 -2.537 1.00 0.00 C ATOM 236 NZ LYS A 12 8.319 8.298 -3.417 1.00 0.00 N ATOM 0 H LYS A 12 6.224 1.844 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 12 8.159 2.954 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.234 4.195 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.910 4.403 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.196 4.935 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.499 5.348 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.412 6.660 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.891 6.673 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.421 7.410 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.885 8.539 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.932 9.083 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.109 8.644 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.659 7.550 -4.055 1.00 0.00 H new HETATM 250 N DPR A 13 9.712 1.700 -1.296 1.00 0.00 N HETATM 251 CA DPR A 13 10.752 1.045 -0.447 1.00 0.00 C HETATM 252 CB DPR A 13 12.014 1.318 -1.296 1.00 0.00 C HETATM 253 CG DPR A 13 11.528 1.293 -2.749 1.00 0.00 C HETATM 254 CD DPR A 13 10.145 1.943 -2.689 1.00 0.00 C HETATM 255 C DPR A 13 10.485 -0.466 -0.106 1.00 0.00 C HETATM 256 O DPR A 13 10.485 -1.341 -0.972 1.00 0.00 O HETATM 0 HG3 DPR A 13 12.201 1.846 -3.404 1.00 0.00 H new HETATM 0 HG2 DPR A 13 11.474 0.275 -3.134 1.00 0.00 H new HETATM 0 HD3 DPR A 13 9.459 1.494 -3.407 1.00 0.00 H new HETATM 0 HD2 DPR A 13 10.192 3.008 -2.915 1.00 0.00 H new HETATM 0 HB3 DPR A 13 12.458 2.281 -1.045 1.00 0.00 H new HETATM 0 HB2 DPR A 13 12.778 0.560 -1.122 1.00 0.00 H new HETATM 0 HA DPR A 13 10.808 1.435 0.569 1.00 0.00 H new ATOM 264 N PRO A 14 10.280 -0.760 1.194 1.00 0.00 N ATOM 265 CA PRO A 14 10.202 -2.162 1.680 1.00 0.00 C ATOM 266 C PRO A 14 9.030 -3.053 1.144 1.00 0.00 C ATOM 267 O PRO A 14 9.192 -3.810 0.192 1.00 0.00 O ATOM 268 CB PRO A 14 10.200 -1.938 3.209 1.00 0.00 C ATOM 269 CG PRO A 14 9.613 -0.537 3.427 1.00 0.00 C ATOM 270 CD PRO A 14 10.105 0.275 2.228 1.00 0.00 C ATOM 0 HA PRO A 14 11.022 -2.774 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.601 -2.696 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.209 -2.006 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.524 -0.565 3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.956 -0.105 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.382 1.032 1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.038 0.794 2.445 1.00 0.00 H new TER 278 PRO A 14