USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 243 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 ASP N :NH3+ 128:sc= 0.141 (180deg=-0.714) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00364) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 174:sc= 1.32 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00123 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.142 10.964 0.295 1.00 0.00 N ATOM 2 CA ASP A 1 13.469 10.547 -0.979 1.00 0.00 C ATOM 3 C ASP A 1 12.905 9.124 -0.847 1.00 0.00 C ATOM 4 O ASP A 1 13.315 8.211 -1.542 1.00 0.00 O ATOM 5 CB ASP A 1 14.550 10.621 -2.074 1.00 0.00 C ATOM 6 CG ASP A 1 15.850 9.947 -1.608 1.00 0.00 C ATOM 7 OD1 ASP A 1 16.648 10.618 -0.975 1.00 0.00 O ATOM 8 OD2 ASP A 1 16.027 8.778 -1.899 1.00 0.00 O ATOM 0 H1 ASP A 1 15.102 11.306 0.085 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.594 11.725 0.744 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.198 10.150 0.941 1.00 0.00 H new ATOM 0 HA ASP A 1 12.625 11.193 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 1 14.189 10.135 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 1 14.746 11.663 -2.327 1.00 0.00 H new ATOM 15 N GLY A 2 11.959 8.937 0.040 1.00 0.00 N ATOM 16 CA GLY A 2 11.349 7.586 0.227 1.00 0.00 C ATOM 17 C GLY A 2 10.560 7.196 -1.028 1.00 0.00 C ATOM 18 O GLY A 2 9.886 8.013 -1.627 1.00 0.00 O ATOM 0 H GLY A 2 11.582 9.666 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.128 6.849 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.690 7.591 1.095 1.00 0.00 H new ATOM 22 N GLU A 3 10.644 5.951 -1.426 1.00 0.00 N ATOM 23 CA GLU A 3 9.903 5.496 -2.645 1.00 0.00 C ATOM 24 C GLU A 3 8.400 5.414 -2.356 1.00 0.00 C ATOM 25 O GLU A 3 7.985 5.229 -1.227 1.00 0.00 O ATOM 26 CB GLU A 3 10.468 4.110 -2.966 1.00 0.00 C ATOM 27 CG GLU A 3 11.734 4.253 -3.816 1.00 0.00 C ATOM 28 CD GLU A 3 12.966 4.268 -2.906 1.00 0.00 C ATOM 29 OE1 GLU A 3 13.431 3.197 -2.554 1.00 0.00 O ATOM 30 OE2 GLU A 3 13.423 5.351 -2.578 1.00 0.00 O ATOM 0 H GLU A 3 11.194 5.229 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 3 10.026 6.186 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.696 3.577 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.725 3.518 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.803 3.428 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.690 5.172 -4.400 1.00 0.00 H new ATOM 37 N CYS A 4 7.584 5.554 -3.370 1.00 0.00 N ATOM 38 CA CYS A 4 6.107 5.489 -3.162 1.00 0.00 C ATOM 39 C CYS A 4 5.469 4.595 -4.231 1.00 0.00 C ATOM 40 O CYS A 4 5.990 4.441 -5.320 1.00 0.00 O ATOM 41 CB CYS A 4 5.630 6.948 -3.263 1.00 0.00 C ATOM 42 SG CYS A 4 4.302 7.124 -4.487 1.00 0.00 S ATOM 0 H CYS A 4 7.878 5.711 -4.334 1.00 0.00 H new ATOM 0 HA CYS A 4 5.827 5.054 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.277 7.286 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.468 7.589 -3.538 1.00 0.00 H new ATOM 47 N GLY A 5 4.347 4.002 -3.918 1.00 0.00 N ATOM 48 CA GLY A 5 3.664 3.108 -4.896 1.00 0.00 C ATOM 49 C GLY A 5 2.651 3.914 -5.712 1.00 0.00 C ATOM 50 O GLY A 5 3.003 4.839 -6.419 1.00 0.00 O ATOM 0 H GLY A 5 3.872 4.100 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.398 2.651 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.160 2.297 -4.371 1.00 0.00 H new ATOM 54 N GLY A 6 1.394 3.566 -5.615 1.00 0.00 N ATOM 55 CA GLY A 6 0.343 4.304 -6.375 1.00 0.00 C ATOM 56 C GLY A 6 -0.955 4.309 -5.565 1.00 0.00 C ATOM 57 O GLY A 6 -0.936 4.402 -4.353 1.00 0.00 O ATOM 0 H GLY A 6 1.049 2.798 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.668 5.326 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.179 3.832 -7.344 1.00 0.00 H new ATOM 61 N PHE A 7 -2.084 4.202 -6.222 1.00 0.00 N ATOM 62 CA PHE A 7 -3.384 4.195 -5.482 1.00 0.00 C ATOM 63 C PHE A 7 -3.790 2.762 -5.119 1.00 0.00 C ATOM 64 O PHE A 7 -4.326 2.515 -4.059 1.00 0.00 O ATOM 65 CB PHE A 7 -4.403 4.822 -6.439 1.00 0.00 C ATOM 66 CG PHE A 7 -5.771 4.839 -5.789 1.00 0.00 C ATOM 67 CD1 PHE A 7 -5.933 5.370 -4.501 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.876 4.319 -6.474 1.00 0.00 C ATOM 69 CE1 PHE A 7 -7.198 5.380 -3.902 1.00 0.00 C ATOM 70 CE2 PHE A 7 -8.141 4.330 -5.873 1.00 0.00 C ATOM 71 CZ PHE A 7 -8.302 4.859 -4.588 1.00 0.00 C ATOM 0 H PHE A 7 -2.161 4.119 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.319 4.748 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.099 5.837 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.439 4.255 -7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.082 5.771 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.753 3.909 -7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.323 5.790 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.993 3.930 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.278 4.866 -4.125 1.00 0.00 H new ATOM 81 N TRP A 8 -3.541 1.824 -5.993 1.00 0.00 N ATOM 82 CA TRP A 8 -3.912 0.406 -5.707 1.00 0.00 C ATOM 83 C TRP A 8 -2.814 -0.532 -6.221 1.00 0.00 C ATOM 84 O TRP A 8 -2.993 -1.248 -7.191 1.00 0.00 O ATOM 85 CB TRP A 8 -5.229 0.183 -6.457 1.00 0.00 C ATOM 86 CG TRP A 8 -6.325 -0.101 -5.481 1.00 0.00 C ATOM 87 CD1 TRP A 8 -6.870 0.805 -4.638 1.00 0.00 C ATOM 88 CD2 TRP A 8 -7.017 -1.358 -5.235 1.00 0.00 C ATOM 89 NE1 TRP A 8 -7.852 0.185 -3.888 1.00 0.00 N ATOM 90 CE2 TRP A 8 -7.981 -1.150 -4.221 1.00 0.00 C ATOM 91 CE3 TRP A 8 -6.904 -2.647 -5.786 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -8.803 -2.182 -3.771 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -7.729 -3.689 -5.336 1.00 0.00 C ATOM 94 CH2 TRP A 8 -8.677 -3.457 -4.330 1.00 0.00 C ATOM 0 H TRP A 8 -3.095 1.979 -6.897 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.022 0.205 -4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.475 1.065 -7.048 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.125 -0.649 -7.154 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.585 1.844 -4.563 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -8.412 0.655 -3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.177 -2.836 -6.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -9.532 -1.998 -2.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -7.633 -4.675 -5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -9.309 -4.262 -3.987 1.00 0.00 H new ATOM 105 N TRP A 9 -1.673 -0.529 -5.577 1.00 0.00 N ATOM 106 CA TRP A 9 -0.552 -1.414 -6.024 1.00 0.00 C ATOM 107 C TRP A 9 -0.547 -2.700 -5.195 1.00 0.00 C ATOM 108 O TRP A 9 -1.205 -2.788 -4.182 1.00 0.00 O ATOM 109 CB TRP A 9 0.722 -0.600 -5.779 1.00 0.00 C ATOM 110 CG TRP A 9 0.885 0.429 -6.859 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.130 1.016 -7.541 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.114 1.006 -7.386 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.401 1.911 -8.448 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.777 1.943 -8.391 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.476 0.810 -7.095 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.752 2.661 -9.079 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.461 1.532 -7.788 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.100 2.457 -8.777 1.00 0.00 C ATOM 0 H TRP A 9 -1.469 0.048 -4.761 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.642 -1.709 -7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.671 -0.113 -4.805 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.589 -1.261 -5.760 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.182 0.816 -7.398 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.158 2.480 -9.084 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.766 0.100 -6.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.467 3.371 -9.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.504 1.373 -7.557 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.863 3.011 -9.304 1.00 0.00 H new ATOM 129 N LYS A 10 0.179 -3.702 -5.620 1.00 0.00 N ATOM 130 CA LYS A 10 0.204 -4.982 -4.844 1.00 0.00 C ATOM 131 C LYS A 10 1.355 -4.988 -3.838 1.00 0.00 C ATOM 132 O LYS A 10 2.473 -4.631 -4.159 1.00 0.00 O ATOM 133 CB LYS A 10 0.413 -6.084 -5.880 1.00 0.00 C ATOM 134 CG LYS A 10 -0.943 -6.673 -6.283 1.00 0.00 C ATOM 135 CD LYS A 10 -1.102 -6.603 -7.804 1.00 0.00 C ATOM 136 CE LYS A 10 -2.468 -7.170 -8.205 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.272 -8.648 -8.284 1.00 0.00 N ATOM 0 H LYS A 10 0.752 -3.692 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.716 -5.118 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.921 -5.682 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.053 -6.865 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.016 -7.707 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.749 -6.123 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.012 -5.571 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.306 -7.168 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.232 -6.913 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.797 -6.765 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.158 -9.100 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.521 -8.862 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.000 -9.013 -7.349 1.00 0.00 H new ATOM 151 N CYS A 11 1.088 -5.403 -2.627 1.00 0.00 N ATOM 152 CA CYS A 11 2.168 -5.451 -1.599 1.00 0.00 C ATOM 153 C CYS A 11 1.887 -6.558 -0.572 1.00 0.00 C ATOM 154 O CYS A 11 0.760 -6.994 -0.409 1.00 0.00 O ATOM 155 CB CYS A 11 2.149 -4.072 -0.932 1.00 0.00 C ATOM 156 SG CYS A 11 0.590 -3.842 -0.044 1.00 0.00 S ATOM 0 H CYS A 11 0.170 -5.710 -2.306 1.00 0.00 H new ATOM 0 HA CYS A 11 3.140 -5.675 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.988 -3.980 -0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.268 -3.292 -1.684 1.00 0.00 H new ATOM 161 N GLY A 12 2.902 -7.010 0.126 1.00 0.00 N ATOM 162 CA GLY A 12 2.701 -8.083 1.147 1.00 0.00 C ATOM 163 C GLY A 12 2.309 -7.447 2.484 1.00 0.00 C ATOM 164 O GLY A 12 1.272 -6.822 2.602 1.00 0.00 O ATOM 0 H GLY A 12 3.862 -6.680 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.923 -8.772 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.615 -8.666 1.263 1.00 0.00 H new ATOM 168 N ARG A 13 3.138 -7.593 3.490 1.00 0.00 N ATOM 169 CA ARG A 13 2.826 -6.984 4.824 1.00 0.00 C ATOM 170 C ARG A 13 3.418 -5.567 4.908 1.00 0.00 C ATOM 171 O ARG A 13 3.780 -5.101 5.974 1.00 0.00 O ATOM 172 CB ARG A 13 3.500 -7.903 5.850 1.00 0.00 C ATOM 173 CG ARG A 13 2.626 -9.135 6.107 1.00 0.00 C ATOM 174 CD ARG A 13 3.077 -10.292 5.208 1.00 0.00 C ATOM 175 NE ARG A 13 4.399 -10.719 5.750 1.00 0.00 N ATOM 176 CZ ARG A 13 5.313 -11.191 4.943 1.00 0.00 C ATOM 177 NH1 ARG A 13 5.304 -12.457 4.615 1.00 0.00 N ATOM 178 NH2 ARG A 13 6.237 -10.399 4.466 1.00 0.00 N ATOM 0 H ARG A 13 4.018 -8.108 3.446 1.00 0.00 H new ATOM 0 HA ARG A 13 1.753 -6.897 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.479 -8.212 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.663 -7.362 6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.695 -9.429 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.580 -8.897 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.359 -11.112 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.162 -9.973 4.169 1.00 0.00 H new ATOM 0 HE ARG A 13 4.590 -10.643 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.584 -13.076 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.017 -12.826 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.245 -9.412 4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.950 -10.768 3.836 1.00 0.00 H new ATOM 192 N GLY A 14 3.531 -4.888 3.793 1.00 0.00 N ATOM 193 CA GLY A 14 4.110 -3.514 3.797 1.00 0.00 C ATOM 194 C GLY A 14 5.566 -3.581 3.326 1.00 0.00 C ATOM 195 O GLY A 14 6.425 -2.889 3.840 1.00 0.00 O ATOM 0 H GLY A 14 3.245 -5.231 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.533 -2.861 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.058 -3.087 4.799 1.00 0.00 H new ATOM 199 N LYS A 15 5.851 -4.415 2.351 1.00 0.00 N ATOM 200 CA LYS A 15 7.254 -4.531 1.842 1.00 0.00 C ATOM 201 C LYS A 15 7.623 -3.305 0.991 1.00 0.00 C ATOM 202 O LYS A 15 8.576 -2.615 1.297 1.00 0.00 O ATOM 203 CB LYS A 15 7.287 -5.815 1.003 1.00 0.00 C ATOM 204 CG LYS A 15 8.462 -6.689 1.450 1.00 0.00 C ATOM 205 CD LYS A 15 9.522 -6.727 0.345 1.00 0.00 C ATOM 206 CE LYS A 15 10.876 -6.288 0.914 1.00 0.00 C ATOM 207 NZ LYS A 15 10.824 -4.796 0.955 1.00 0.00 N ATOM 0 H LYS A 15 5.172 -5.019 1.887 1.00 0.00 H new ATOM 0 HA LYS A 15 7.978 -4.572 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.350 -6.361 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.385 -5.568 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.894 -6.293 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.115 -7.699 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.598 -7.734 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.231 -6.070 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.037 -6.703 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.697 -6.635 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.719 -4.428 1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.678 -4.427 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.039 -4.493 1.565 1.00 0.00 H new ATOM 221 N PRO A 16 6.849 -3.063 -0.044 1.00 0.00 N ATOM 222 CA PRO A 16 7.104 -1.900 -0.928 1.00 0.00 C ATOM 223 C PRO A 16 6.674 -0.603 -0.226 1.00 0.00 C ATOM 224 O PRO A 16 5.611 -0.551 0.367 1.00 0.00 O ATOM 225 CB PRO A 16 6.234 -2.177 -2.151 1.00 0.00 C ATOM 226 CG PRO A 16 5.138 -3.068 -1.658 1.00 0.00 C ATOM 227 CD PRO A 16 5.682 -3.840 -0.482 1.00 0.00 C ATOM 0 HA PRO A 16 8.155 -1.775 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.833 -1.253 -2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.808 -2.660 -2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.269 -2.480 -1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.811 -3.747 -2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.941 -3.927 0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.964 -4.853 -0.768 1.00 0.00 H new ATOM 235 N PRO A 17 7.516 0.399 -0.308 1.00 0.00 N ATOM 236 CA PRO A 17 7.210 1.700 0.340 1.00 0.00 C ATOM 237 C PRO A 17 6.095 2.433 -0.416 1.00 0.00 C ATOM 238 O PRO A 17 6.311 2.971 -1.485 1.00 0.00 O ATOM 239 CB PRO A 17 8.528 2.466 0.244 1.00 0.00 C ATOM 240 CG PRO A 17 9.240 1.866 -0.925 1.00 0.00 C ATOM 241 CD PRO A 17 8.812 0.423 -1.004 1.00 0.00 C ATOM 0 HA PRO A 17 6.857 1.593 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.355 3.532 0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.113 2.362 1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.987 2.395 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.320 1.942 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.716 0.091 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.536 -0.235 -0.523 1.00 0.00 H new ATOM 249 N CYS A 18 4.905 2.461 0.135 1.00 0.00 N ATOM 250 CA CYS A 18 3.779 3.168 -0.548 1.00 0.00 C ATOM 251 C CYS A 18 3.956 4.687 -0.404 1.00 0.00 C ATOM 252 O CYS A 18 4.878 5.151 0.241 1.00 0.00 O ATOM 253 CB CYS A 18 2.501 2.701 0.165 1.00 0.00 C ATOM 254 SG CYS A 18 2.261 0.931 -0.111 1.00 0.00 S ATOM 0 H CYS A 18 4.667 2.026 1.026 1.00 0.00 H new ATOM 0 HA CYS A 18 3.741 2.945 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.574 2.906 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.641 3.257 -0.208 1.00 0.00 H new ATOM 259 N CYS A 19 3.091 5.461 -1.005 1.00 0.00 N ATOM 260 CA CYS A 19 3.225 6.950 -0.905 1.00 0.00 C ATOM 261 C CYS A 19 2.637 7.450 0.423 1.00 0.00 C ATOM 262 O CYS A 19 1.883 6.755 1.078 1.00 0.00 O ATOM 263 CB CYS A 19 2.446 7.527 -2.098 1.00 0.00 C ATOM 264 SG CYS A 19 2.638 6.456 -3.552 1.00 0.00 S ATOM 0 H CYS A 19 2.300 5.132 -1.559 1.00 0.00 H new ATOM 0 HA CYS A 19 4.269 7.262 -0.928 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.390 7.619 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.807 8.530 -2.326 1.00 0.00 H new ATOM 269 N LYS A 20 2.993 8.649 0.827 1.00 0.00 N ATOM 270 CA LYS A 20 2.472 9.204 2.114 1.00 0.00 C ATOM 271 C LYS A 20 0.938 9.205 2.118 1.00 0.00 C ATOM 272 O LYS A 20 0.308 9.734 1.220 1.00 0.00 O ATOM 273 CB LYS A 20 3.014 10.638 2.187 1.00 0.00 C ATOM 274 CG LYS A 20 3.051 11.096 3.648 1.00 0.00 C ATOM 275 CD LYS A 20 2.840 12.609 3.717 1.00 0.00 C ATOM 276 CE LYS A 20 2.546 13.018 5.165 1.00 0.00 C ATOM 277 NZ LYS A 20 2.087 14.435 5.086 1.00 0.00 N ATOM 0 H LYS A 20 3.624 9.267 0.317 1.00 0.00 H new ATOM 0 HA LYS A 20 2.787 8.608 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.014 10.683 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.384 11.307 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.277 10.584 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.008 10.831 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.727 13.128 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.013 12.902 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.780 12.380 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.435 12.926 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.867 14.783 6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.838 15.021 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.235 14.491 4.493 1.00 0.00 H new ATOM 291 N GLY A 21 0.335 8.606 3.117 1.00 0.00 N ATOM 292 CA GLY A 21 -1.159 8.561 3.179 1.00 0.00 C ATOM 293 C GLY A 21 -1.667 7.191 2.702 1.00 0.00 C ATOM 294 O GLY A 21 -2.791 6.812 2.978 1.00 0.00 O ATOM 0 H GLY A 21 0.814 8.147 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.494 8.746 4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.580 9.350 2.557 1.00 0.00 H new ATOM 298 N TYR A 22 -0.854 6.448 1.989 1.00 0.00 N ATOM 299 CA TYR A 22 -1.289 5.107 1.489 1.00 0.00 C ATOM 300 C TYR A 22 -0.843 4.009 2.464 1.00 0.00 C ATOM 301 O TYR A 22 0.232 4.070 3.031 1.00 0.00 O ATOM 302 CB TYR A 22 -0.592 4.936 0.136 1.00 0.00 C ATOM 303 CG TYR A 22 -1.127 5.950 -0.852 1.00 0.00 C ATOM 304 CD1 TYR A 22 -0.723 7.290 -0.777 1.00 0.00 C ATOM 305 CD2 TYR A 22 -2.030 5.550 -1.844 1.00 0.00 C ATOM 306 CE1 TYR A 22 -1.220 8.225 -1.691 1.00 0.00 C ATOM 307 CE2 TYR A 22 -2.527 6.487 -2.758 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.122 7.824 -2.681 1.00 0.00 C ATOM 309 OH TYR A 22 -2.613 8.747 -3.582 1.00 0.00 O ATOM 0 H TYR A 22 0.096 6.715 1.731 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.373 5.034 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.484 5.063 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.755 3.927 -0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.027 7.601 -0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.343 4.518 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.907 9.257 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.224 6.177 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.227 8.303 -4.203 1.00 0.00 H new ATOM 319 N ALA A 23 -1.662 3.004 2.658 1.00 0.00 N ATOM 320 CA ALA A 23 -1.295 1.893 3.591 1.00 0.00 C ATOM 321 C ALA A 23 -1.374 0.544 2.870 1.00 0.00 C ATOM 322 O ALA A 23 -2.266 0.308 2.076 1.00 0.00 O ATOM 323 CB ALA A 23 -2.329 1.960 4.717 1.00 0.00 C ATOM 0 H ALA A 23 -2.572 2.905 2.209 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.276 1.992 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.127 1.174 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.270 2.932 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.328 1.822 4.303 1.00 0.00 H new ATOM 329 N CYS A 24 -0.448 -0.342 3.143 1.00 0.00 N ATOM 330 CA CYS A 24 -0.462 -1.682 2.475 1.00 0.00 C ATOM 331 C CYS A 24 -1.292 -2.673 3.297 1.00 0.00 C ATOM 332 O CYS A 24 -1.528 -2.475 4.475 1.00 0.00 O ATOM 333 CB CYS A 24 1.004 -2.120 2.415 1.00 0.00 C ATOM 334 SG CYS A 24 1.115 -3.854 1.905 1.00 0.00 S ATOM 0 H CYS A 24 0.318 -0.196 3.800 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.909 -1.642 1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.551 -1.491 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.471 -1.989 3.391 1.00 0.00 H new ATOM 339 N SER A 25 -1.742 -3.733 2.676 1.00 0.00 N ATOM 340 CA SER A 25 -2.568 -4.737 3.408 1.00 0.00 C ATOM 341 C SER A 25 -2.162 -6.164 3.029 1.00 0.00 C ATOM 342 O SER A 25 -2.192 -6.541 1.872 1.00 0.00 O ATOM 343 CB SER A 25 -4.007 -4.458 2.975 1.00 0.00 C ATOM 344 OG SER A 25 -4.609 -3.562 3.898 1.00 0.00 O ATOM 0 H SER A 25 -1.572 -3.946 1.693 1.00 0.00 H new ATOM 0 HA SER A 25 -2.438 -4.656 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.021 -4.030 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.573 -5.389 2.932 1.00 0.00 H new ATOM 0 HG SER A 25 -5.497 -3.305 3.573 1.00 0.00 H new ATOM 350 N LYS A 26 -1.796 -6.962 4.004 1.00 0.00 N ATOM 351 CA LYS A 26 -1.404 -8.376 3.712 1.00 0.00 C ATOM 352 C LYS A 26 -2.657 -9.226 3.454 1.00 0.00 C ATOM 353 O LYS A 26 -2.650 -10.119 2.629 1.00 0.00 O ATOM 354 CB LYS A 26 -0.651 -8.858 4.960 1.00 0.00 C ATOM 355 CG LYS A 26 -1.621 -9.046 6.134 1.00 0.00 C ATOM 356 CD LYS A 26 -0.829 -9.290 7.422 1.00 0.00 C ATOM 357 CE LYS A 26 -0.852 -8.026 8.289 1.00 0.00 C ATOM 358 NZ LYS A 26 0.512 -7.440 8.162 1.00 0.00 N ATOM 0 H LYS A 26 -1.752 -6.695 4.987 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.781 -8.458 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.144 -9.799 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.119 -8.135 5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.250 -8.163 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.285 -9.888 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.259 -10.128 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.200 -9.560 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.614 -7.327 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.083 -8.265 9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.571 -6.571 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.217 -8.124 8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.702 -7.215 7.164 1.00 0.00 H new ATOM 372 N THR A 27 -3.736 -8.940 4.145 1.00 0.00 N ATOM 373 CA THR A 27 -5.002 -9.713 3.936 1.00 0.00 C ATOM 374 C THR A 27 -5.587 -9.369 2.563 1.00 0.00 C ATOM 375 O THR A 27 -6.098 -10.221 1.861 1.00 0.00 O ATOM 376 CB THR A 27 -5.955 -9.258 5.051 1.00 0.00 C ATOM 377 OG1 THR A 27 -5.292 -9.335 6.308 1.00 0.00 O ATOM 378 CG2 THR A 27 -7.191 -10.161 5.072 1.00 0.00 C ATOM 0 H THR A 27 -3.794 -8.202 4.847 1.00 0.00 H new ATOM 0 HA THR A 27 -4.839 -10.790 3.968 1.00 0.00 H new ATOM 0 HB THR A 27 -6.260 -8.229 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.901 -9.043 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.866 -9.836 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.703 -10.100 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.886 -11.191 5.255 1.00 0.00 H new ATOM 386 N TRP A 28 -5.502 -8.120 2.180 1.00 0.00 N ATOM 387 CA TRP A 28 -6.034 -7.693 0.853 1.00 0.00 C ATOM 388 C TRP A 28 -5.021 -8.051 -0.241 1.00 0.00 C ATOM 389 O TRP A 28 -5.380 -8.505 -1.312 1.00 0.00 O ATOM 390 CB TRP A 28 -6.194 -6.168 0.950 1.00 0.00 C ATOM 391 CG TRP A 28 -7.138 -5.798 2.059 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.839 -6.669 2.827 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.492 -4.466 2.533 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.589 -5.955 3.741 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.413 -4.595 3.599 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.106 -3.170 2.144 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -8.931 -3.479 4.257 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.626 -2.046 2.804 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.538 -2.200 3.857 1.00 0.00 C ATOM 0 H TRP A 28 -5.084 -7.373 2.735 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.977 -8.181 0.606 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.222 -5.707 1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.567 -5.776 0.004 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.815 -7.745 2.738 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.200 -6.382 4.437 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.405 -3.040 1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.631 -3.603 5.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.321 -1.056 2.499 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.936 -1.330 4.359 1.00 0.00 H new ATOM 410 N GLY A 29 -3.753 -7.849 0.030 1.00 0.00 N ATOM 411 CA GLY A 29 -2.698 -8.173 -0.972 1.00 0.00 C ATOM 412 C GLY A 29 -2.338 -6.927 -1.792 1.00 0.00 C ATOM 413 O GLY A 29 -1.728 -7.034 -2.840 1.00 0.00 O ATOM 0 H GLY A 29 -3.405 -7.470 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.810 -8.552 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.048 -8.964 -1.635 1.00 0.00 H new ATOM 417 N TRP A 30 -2.701 -5.746 -1.336 1.00 0.00 N ATOM 418 CA TRP A 30 -2.356 -4.516 -2.114 1.00 0.00 C ATOM 419 C TRP A 30 -2.190 -3.304 -1.184 1.00 0.00 C ATOM 420 O TRP A 30 -2.371 -3.396 0.016 1.00 0.00 O ATOM 421 CB TRP A 30 -3.514 -4.318 -3.110 1.00 0.00 C ATOM 422 CG TRP A 30 -4.728 -3.786 -2.418 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.859 -2.530 -1.927 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.989 -4.461 -2.149 1.00 0.00 C ATOM 425 NE1 TRP A 30 -6.110 -2.400 -1.361 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.848 -3.563 -1.474 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.465 -5.757 -2.418 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -8.132 -3.934 -1.081 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.758 -6.135 -2.025 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.591 -5.225 -1.357 1.00 0.00 C ATOM 0 H TRP A 30 -3.215 -5.586 -0.469 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.404 -4.619 -2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.208 -3.629 -3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.751 -5.267 -3.591 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.106 -1.757 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.449 -1.549 -0.913 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.831 -6.466 -2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.768 -3.229 -0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -8.114 -7.132 -2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.585 -5.521 -1.057 1.00 0.00 H new ATOM 441 N CYS A 31 -1.843 -2.171 -1.743 1.00 0.00 N ATOM 442 CA CYS A 31 -1.653 -0.937 -0.921 1.00 0.00 C ATOM 443 C CYS A 31 -2.486 0.214 -1.493 1.00 0.00 C ATOM 444 O CYS A 31 -2.413 0.520 -2.671 1.00 0.00 O ATOM 445 CB CYS A 31 -0.158 -0.620 -1.026 1.00 0.00 C ATOM 446 SG CYS A 31 0.279 0.667 0.164 1.00 0.00 S ATOM 0 H CYS A 31 -1.682 -2.048 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.971 -1.075 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.428 -1.519 -0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.083 -0.291 -2.037 1.00 0.00 H new ATOM 451 N ALA A 32 -3.273 0.857 -0.663 1.00 0.00 N ATOM 452 CA ALA A 32 -4.116 1.996 -1.140 1.00 0.00 C ATOM 453 C ALA A 32 -4.321 3.010 -0.008 1.00 0.00 C ATOM 454 O ALA A 32 -3.942 2.771 1.123 1.00 0.00 O ATOM 455 CB ALA A 32 -5.451 1.365 -1.551 1.00 0.00 C ATOM 0 H ALA A 32 -3.367 0.639 0.329 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.653 2.533 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.124 2.142 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.280 0.635 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.899 0.869 -0.690 1.00 0.00 H new ATOM 461 N VAL A 33 -4.919 4.140 -0.304 1.00 0.00 N ATOM 462 CA VAL A 33 -5.152 5.173 0.760 1.00 0.00 C ATOM 463 C VAL A 33 -6.002 4.579 1.892 1.00 0.00 C ATOM 464 O VAL A 33 -6.953 3.859 1.651 1.00 0.00 O ATOM 465 CB VAL A 33 -5.904 6.320 0.070 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.267 7.391 1.104 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.017 6.947 -1.009 1.00 0.00 C ATOM 0 H VAL A 33 -5.256 4.393 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.218 5.518 1.203 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.812 5.926 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.801 8.205 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.902 6.953 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.357 7.778 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.556 7.760 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.108 7.337 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.755 6.191 -1.749 1.00 0.00 H new ATOM 477 N GLU A 34 -5.663 4.879 3.120 1.00 0.00 N ATOM 478 CA GLU A 34 -6.448 4.334 4.269 1.00 0.00 C ATOM 479 C GLU A 34 -7.669 5.223 4.548 1.00 0.00 C ATOM 480 O GLU A 34 -7.716 5.943 5.530 1.00 0.00 O ATOM 481 CB GLU A 34 -5.480 4.336 5.461 1.00 0.00 C ATOM 482 CG GLU A 34 -5.259 2.899 5.945 1.00 0.00 C ATOM 483 CD GLU A 34 -6.525 2.388 6.640 1.00 0.00 C ATOM 484 OE1 GLU A 34 -6.678 2.651 7.822 1.00 0.00 O ATOM 485 OE2 GLU A 34 -7.323 1.742 5.978 1.00 0.00 O ATOM 0 H GLU A 34 -4.878 5.477 3.377 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.830 3.333 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.529 4.783 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.884 4.945 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.010 2.255 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.415 2.863 6.633 1.00 0.00 H new ATOM 492 N ALA A 35 -8.658 5.171 3.689 1.00 0.00 N ATOM 493 CA ALA A 35 -9.885 6.005 3.898 1.00 0.00 C ATOM 494 C ALA A 35 -10.700 5.470 5.088 1.00 0.00 C ATOM 495 O ALA A 35 -10.993 6.213 6.006 1.00 0.00 O ATOM 496 CB ALA A 35 -10.686 5.900 2.594 1.00 0.00 C ATOM 0 H ALA A 35 -8.669 4.588 2.852 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.637 7.041 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.599 6.489 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.086 6.279 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.943 4.857 2.408 1.00 0.00 H new ATOM 502 N PRO A 36 -11.040 4.197 5.044 1.00 0.00 N ATOM 503 CA PRO A 36 -11.823 3.584 6.147 1.00 0.00 C ATOM 504 C PRO A 36 -10.943 3.384 7.392 1.00 0.00 C ATOM 505 O PRO A 36 -11.382 3.757 8.465 1.00 0.00 O ATOM 506 CB PRO A 36 -12.272 2.244 5.571 1.00 0.00 C ATOM 507 CG PRO A 36 -11.269 1.916 4.511 1.00 0.00 C ATOM 508 CD PRO A 36 -10.736 3.222 3.982 1.00 0.00 C ATOM 0 HA PRO A 36 -12.660 4.203 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.297 1.473 6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.277 2.311 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.462 1.309 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.730 1.337 3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.665 3.165 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.215 3.496 3.042 1.00 0.00 H new TER 516 PRO A 36