USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=4 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+ -109:sc= 0.0793 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -179:sc= 1.01 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0311 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.893 11.288 -1.428 1.00 0.00 N ATOM 2 CA ASP A 1 10.750 11.040 -2.360 1.00 0.00 C ATOM 3 C ASP A 1 11.232 10.284 -3.605 1.00 0.00 C ATOM 4 O ASP A 1 12.409 10.261 -3.911 1.00 0.00 O ATOM 5 CB ASP A 1 10.229 12.431 -2.741 1.00 0.00 C ATOM 6 CG ASP A 1 9.219 12.907 -1.693 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.045 12.619 -1.856 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.637 13.551 -0.745 1.00 0.00 O ATOM 0 H1 ASP A 1 11.791 10.687 -0.585 1.00 0.00 H new ATOM 0 H2 ASP A 1 12.788 11.062 -1.908 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.897 12.288 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 1 9.973 10.430 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.058 13.135 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.760 12.398 -3.724 1.00 0.00 H new ATOM 15 N GLY A 2 10.326 9.660 -4.319 1.00 0.00 N ATOM 16 CA GLY A 2 10.721 8.899 -5.542 1.00 0.00 C ATOM 17 C GLY A 2 10.508 7.399 -5.307 1.00 0.00 C ATOM 18 O GLY A 2 10.029 6.691 -6.173 1.00 0.00 O ATOM 0 H GLY A 2 9.329 9.646 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.130 9.231 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.766 9.095 -5.782 1.00 0.00 H new ATOM 22 N GLU A 3 10.858 6.911 -4.140 1.00 0.00 N ATOM 23 CA GLU A 3 10.677 5.454 -3.843 1.00 0.00 C ATOM 24 C GLU A 3 9.289 5.197 -3.228 1.00 0.00 C ATOM 25 O GLU A 3 9.165 4.628 -2.158 1.00 0.00 O ATOM 26 CB GLU A 3 11.796 5.101 -2.848 1.00 0.00 C ATOM 27 CG GLU A 3 11.674 5.963 -1.583 1.00 0.00 C ATOM 28 CD GLU A 3 11.979 5.110 -0.348 1.00 0.00 C ATOM 29 OE1 GLU A 3 11.064 4.482 0.155 1.00 0.00 O ATOM 30 OE2 GLU A 3 13.122 5.101 0.074 1.00 0.00 O ATOM 0 H GLU A 3 11.261 7.459 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 3 10.734 4.842 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.738 4.045 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.769 5.260 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.365 6.804 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.669 6.380 -1.510 1.00 0.00 H new ATOM 37 N CYS A 4 8.242 5.611 -3.902 1.00 0.00 N ATOM 38 CA CYS A 4 6.862 5.393 -3.368 1.00 0.00 C ATOM 39 C CYS A 4 6.028 4.581 -4.373 1.00 0.00 C ATOM 40 O CYS A 4 6.311 4.566 -5.557 1.00 0.00 O ATOM 41 CB CYS A 4 6.292 6.806 -3.153 1.00 0.00 C ATOM 42 SG CYS A 4 4.990 7.176 -4.360 1.00 0.00 S ATOM 0 H CYS A 4 8.285 6.091 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 4 6.851 4.822 -2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.890 6.890 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.092 7.541 -3.240 1.00 0.00 H new ATOM 47 N GLY A 5 5.011 3.898 -3.904 1.00 0.00 N ATOM 48 CA GLY A 5 4.165 3.078 -4.820 1.00 0.00 C ATOM 49 C GLY A 5 3.155 3.974 -5.544 1.00 0.00 C ATOM 50 O GLY A 5 3.522 4.891 -6.254 1.00 0.00 O ATOM 0 H GLY A 5 4.732 3.875 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.794 2.564 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.640 2.309 -4.253 1.00 0.00 H new ATOM 54 N GLY A 6 1.884 3.707 -5.375 1.00 0.00 N ATOM 55 CA GLY A 6 0.843 4.534 -6.054 1.00 0.00 C ATOM 56 C GLY A 6 -0.456 4.506 -5.238 1.00 0.00 C ATOM 57 O GLY A 6 -0.430 4.508 -4.020 1.00 0.00 O ATOM 0 H GLY A 6 1.523 2.950 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.194 5.560 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.661 4.153 -7.059 1.00 0.00 H new ATOM 61 N PHE A 7 -1.588 4.479 -5.898 1.00 0.00 N ATOM 62 CA PHE A 7 -2.894 4.452 -5.163 1.00 0.00 C ATOM 63 C PHE A 7 -3.338 3.008 -4.899 1.00 0.00 C ATOM 64 O PHE A 7 -3.870 2.699 -3.851 1.00 0.00 O ATOM 65 CB PHE A 7 -3.892 5.170 -6.084 1.00 0.00 C ATOM 66 CG PHE A 7 -5.309 4.918 -5.614 1.00 0.00 C ATOM 67 CD1 PHE A 7 -5.802 5.578 -4.480 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.128 4.022 -6.312 1.00 0.00 C ATOM 69 CE1 PHE A 7 -7.112 5.340 -4.047 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.437 3.784 -5.878 1.00 0.00 C ATOM 71 CZ PHE A 7 -7.930 4.444 -4.745 1.00 0.00 C ATOM 0 H PHE A 7 -1.665 4.474 -6.915 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.822 4.936 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.688 6.241 -6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.772 4.817 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.172 6.270 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.749 3.514 -7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.492 5.848 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.067 3.092 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.941 4.262 -4.410 1.00 0.00 H new ATOM 81 N TRP A 8 -3.127 2.125 -5.839 1.00 0.00 N ATOM 82 CA TRP A 8 -3.535 0.701 -5.642 1.00 0.00 C ATOM 83 C TRP A 8 -2.450 -0.228 -6.197 1.00 0.00 C ATOM 84 O TRP A 8 -2.602 -0.828 -7.247 1.00 0.00 O ATOM 85 CB TRP A 8 -4.849 0.556 -6.421 1.00 0.00 C ATOM 86 CG TRP A 8 -5.508 -0.755 -6.099 1.00 0.00 C ATOM 87 CD1 TRP A 8 -4.985 -1.729 -5.313 1.00 0.00 C ATOM 88 CD2 TRP A 8 -6.806 -1.246 -6.544 1.00 0.00 C ATOM 89 NE1 TRP A 8 -5.878 -2.784 -5.256 1.00 0.00 N ATOM 90 CE2 TRP A 8 -7.015 -2.534 -5.995 1.00 0.00 C ATOM 91 CE3 TRP A 8 -7.813 -0.705 -7.365 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -8.180 -3.258 -6.250 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -8.987 -1.431 -7.624 1.00 0.00 C ATOM 94 CH2 TRP A 8 -9.169 -2.706 -7.067 1.00 0.00 C ATOM 0 H TRP A 8 -2.689 2.328 -6.737 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.666 0.437 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.520 1.378 -6.171 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.653 0.618 -7.491 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.028 -1.688 -4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.715 -3.643 -4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.682 0.275 -7.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -8.316 -4.239 -5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -9.754 -1.006 -8.255 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -10.073 -3.260 -7.270 1.00 0.00 H new ATOM 105 N TRP A 9 -1.350 -0.344 -5.497 1.00 0.00 N ATOM 106 CA TRP A 9 -0.238 -1.229 -5.972 1.00 0.00 C ATOM 107 C TRP A 9 -0.259 -2.543 -5.185 1.00 0.00 C ATOM 108 O TRP A 9 -0.766 -2.599 -4.088 1.00 0.00 O ATOM 109 CB TRP A 9 1.046 -0.435 -5.694 1.00 0.00 C ATOM 110 CG TRP A 9 1.206 0.649 -6.723 1.00 0.00 C ATOM 111 CD1 TRP A 9 0.191 1.327 -7.313 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.435 1.197 -7.285 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.717 2.245 -8.199 1.00 0.00 N ATOM 114 CE2 TRP A 9 2.093 2.208 -8.217 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.798 0.921 -7.081 1.00 0.00 C ATOM 116 CZ2 TRP A 9 3.065 2.916 -8.917 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.781 1.635 -7.787 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.414 2.631 -8.702 1.00 0.00 C ATOM 0 H TRP A 9 -1.172 0.136 -4.615 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.322 -1.490 -7.027 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.006 0.001 -4.696 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.909 -1.101 -5.717 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.861 1.173 -7.120 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.154 2.875 -8.771 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.091 0.156 -6.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.777 3.681 -9.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.826 1.415 -7.623 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.174 3.177 -9.240 1.00 0.00 H new ATOM 129 N LYS A 10 0.267 -3.607 -5.738 1.00 0.00 N ATOM 130 CA LYS A 10 0.244 -4.914 -5.006 1.00 0.00 C ATOM 131 C LYS A 10 1.485 -5.090 -4.132 1.00 0.00 C ATOM 132 O LYS A 10 2.601 -4.883 -4.571 1.00 0.00 O ATOM 133 CB LYS A 10 0.219 -5.990 -6.088 1.00 0.00 C ATOM 134 CG LYS A 10 -1.227 -6.409 -6.361 1.00 0.00 C ATOM 135 CD LYS A 10 -1.804 -5.547 -7.486 1.00 0.00 C ATOM 136 CE LYS A 10 -2.913 -6.318 -8.211 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.791 -5.923 -9.643 1.00 0.00 N ATOM 0 H LYS A 10 0.708 -3.630 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.618 -4.969 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.678 -5.612 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.805 -6.853 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.265 -7.462 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.826 -6.296 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.201 -4.618 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.017 -5.276 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.790 -7.394 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.895 -6.062 -7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.519 -6.412 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.920 -4.895 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.849 -6.186 -9.997 1.00 0.00 H new ATOM 151 N CYS A 11 1.292 -5.494 -2.903 1.00 0.00 N ATOM 152 CA CYS A 11 2.450 -5.717 -1.994 1.00 0.00 C ATOM 153 C CYS A 11 2.111 -6.792 -0.949 1.00 0.00 C ATOM 154 O CYS A 11 0.991 -7.264 -0.873 1.00 0.00 O ATOM 155 CB CYS A 11 2.708 -4.363 -1.326 1.00 0.00 C ATOM 156 SG CYS A 11 1.326 -3.923 -0.247 1.00 0.00 S ATOM 0 H CYS A 11 0.378 -5.679 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 11 3.330 -6.072 -2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.631 -4.405 -0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.843 -3.594 -2.087 1.00 0.00 H new ATOM 161 N GLY A 12 3.069 -7.178 -0.139 1.00 0.00 N ATOM 162 CA GLY A 12 2.803 -8.215 0.903 1.00 0.00 C ATOM 163 C GLY A 12 2.495 -7.523 2.233 1.00 0.00 C ATOM 164 O GLY A 12 1.505 -6.826 2.364 1.00 0.00 O ATOM 0 H GLY A 12 4.023 -6.818 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.964 -8.843 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.668 -8.869 1.011 1.00 0.00 H new ATOM 168 N ARG A 13 3.340 -7.704 3.217 1.00 0.00 N ATOM 169 CA ARG A 13 3.115 -7.047 4.545 1.00 0.00 C ATOM 170 C ARG A 13 3.810 -5.674 4.569 1.00 0.00 C ATOM 171 O ARG A 13 4.370 -5.264 5.570 1.00 0.00 O ATOM 172 CB ARG A 13 3.745 -8.008 5.565 1.00 0.00 C ATOM 173 CG ARG A 13 3.469 -7.536 7.001 1.00 0.00 C ATOM 174 CD ARG A 13 1.964 -7.322 7.208 1.00 0.00 C ATOM 175 NE ARG A 13 1.836 -6.796 8.598 1.00 0.00 N ATOM 176 CZ ARG A 13 0.706 -6.271 8.996 1.00 0.00 C ATOM 177 NH1 ARG A 13 0.323 -5.110 8.528 1.00 0.00 N ATOM 178 NH2 ARG A 13 -0.039 -6.909 9.860 1.00 0.00 N ATOM 0 H ARG A 13 4.180 -8.280 3.159 1.00 0.00 H new ATOM 0 HA ARG A 13 2.062 -6.868 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.343 -9.011 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.820 -8.069 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.840 -8.274 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.006 -6.608 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.562 -6.617 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.412 -8.254 7.087 1.00 0.00 H new ATOM 0 HE ARG A 13 2.629 -6.846 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.906 -4.615 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.558 -4.701 8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.261 -7.814 10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.921 -6.502 10.172 1.00 0.00 H new ATOM 192 N GLY A 14 3.781 -4.959 3.468 1.00 0.00 N ATOM 193 CA GLY A 14 4.439 -3.622 3.420 1.00 0.00 C ATOM 194 C GLY A 14 5.888 -3.773 2.938 1.00 0.00 C ATOM 195 O GLY A 14 6.766 -3.054 3.375 1.00 0.00 O ATOM 0 H GLY A 14 3.328 -5.248 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.890 -2.960 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.421 -3.162 4.408 1.00 0.00 H new ATOM 199 N LYS A 15 6.141 -4.697 2.037 1.00 0.00 N ATOM 200 CA LYS A 15 7.537 -4.885 1.524 1.00 0.00 C ATOM 201 C LYS A 15 7.972 -3.652 0.717 1.00 0.00 C ATOM 202 O LYS A 15 8.934 -2.997 1.071 1.00 0.00 O ATOM 203 CB LYS A 15 7.486 -6.140 0.636 1.00 0.00 C ATOM 204 CG LYS A 15 8.410 -7.221 1.205 1.00 0.00 C ATOM 205 CD LYS A 15 7.977 -7.576 2.630 1.00 0.00 C ATOM 206 CE LYS A 15 7.967 -9.098 2.799 1.00 0.00 C ATOM 207 NZ LYS A 15 6.550 -9.448 3.100 1.00 0.00 N ATOM 0 H LYS A 15 5.444 -5.325 1.637 1.00 0.00 H new ATOM 0 HA LYS A 15 8.260 -5.004 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.464 -6.515 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.789 -5.889 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.378 -8.109 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.441 -6.867 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.658 -7.124 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.985 -7.171 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.312 -9.597 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.630 -9.409 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.466 -10.477 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.251 -8.965 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.943 -9.147 2.311 1.00 0.00 H new ATOM 221 N PRO A 16 7.238 -3.363 -0.335 1.00 0.00 N ATOM 222 CA PRO A 16 7.547 -2.184 -1.182 1.00 0.00 C ATOM 223 C PRO A 16 7.124 -0.894 -0.463 1.00 0.00 C ATOM 224 O PRO A 16 6.079 -0.851 0.160 1.00 0.00 O ATOM 225 CB PRO A 16 6.708 -2.412 -2.436 1.00 0.00 C ATOM 226 CG PRO A 16 5.577 -3.286 -1.997 1.00 0.00 C ATOM 227 CD PRO A 16 6.068 -4.098 -0.827 1.00 0.00 C ATOM 0 HA PRO A 16 8.609 -2.077 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.342 -1.469 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.294 -2.891 -3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.714 -2.684 -1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.257 -3.938 -2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.302 -4.187 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.334 -5.111 -1.130 1.00 0.00 H new ATOM 235 N PRO A 17 7.956 0.113 -0.566 1.00 0.00 N ATOM 236 CA PRO A 17 7.665 1.416 0.092 1.00 0.00 C ATOM 237 C PRO A 17 6.520 2.146 -0.620 1.00 0.00 C ATOM 238 O PRO A 17 6.637 2.534 -1.768 1.00 0.00 O ATOM 239 CB PRO A 17 8.973 2.188 -0.048 1.00 0.00 C ATOM 240 CG PRO A 17 9.654 1.586 -1.235 1.00 0.00 C ATOM 241 CD PRO A 17 9.230 0.142 -1.298 1.00 0.00 C ATOM 0 HA PRO A 17 7.347 1.305 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.789 3.252 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.585 2.092 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.374 2.111 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.737 1.667 -1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.106 -0.193 -2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.970 -0.512 -0.837 1.00 0.00 H new ATOM 249 N CYS A 18 5.416 2.340 0.059 1.00 0.00 N ATOM 250 CA CYS A 18 4.262 3.055 -0.569 1.00 0.00 C ATOM 251 C CYS A 18 4.438 4.571 -0.417 1.00 0.00 C ATOM 252 O CYS A 18 5.375 5.036 0.209 1.00 0.00 O ATOM 253 CB CYS A 18 3.025 2.578 0.197 1.00 0.00 C ATOM 254 SG CYS A 18 2.715 0.838 -0.182 1.00 0.00 S ATOM 0 H CYS A 18 5.264 2.034 1.020 1.00 0.00 H new ATOM 0 HA CYS A 18 4.180 2.847 -1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.176 2.706 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.159 3.181 -0.077 1.00 0.00 H new ATOM 259 N CYS A 19 3.547 5.347 -0.981 1.00 0.00 N ATOM 260 CA CYS A 19 3.669 6.834 -0.864 1.00 0.00 C ATOM 261 C CYS A 19 2.995 7.315 0.429 1.00 0.00 C ATOM 262 O CYS A 19 2.256 6.582 1.063 1.00 0.00 O ATOM 263 CB CYS A 19 2.961 7.411 -2.100 1.00 0.00 C ATOM 264 SG CYS A 19 3.310 6.387 -3.556 1.00 0.00 S ATOM 0 H CYS A 19 2.743 5.018 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 19 4.709 7.157 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.886 7.454 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.296 8.433 -2.276 1.00 0.00 H new ATOM 269 N LYS A 20 3.259 8.536 0.833 1.00 0.00 N ATOM 270 CA LYS A 20 2.652 9.072 2.091 1.00 0.00 C ATOM 271 C LYS A 20 1.120 8.987 2.044 1.00 0.00 C ATOM 272 O LYS A 20 0.492 9.462 1.116 1.00 0.00 O ATOM 273 CB LYS A 20 3.108 10.534 2.164 1.00 0.00 C ATOM 274 CG LYS A 20 2.551 11.186 3.434 1.00 0.00 C ATOM 275 CD LYS A 20 3.694 11.462 4.416 1.00 0.00 C ATOM 276 CE LYS A 20 3.182 11.312 5.851 1.00 0.00 C ATOM 277 NZ LYS A 20 4.354 11.632 6.716 1.00 0.00 N ATOM 0 H LYS A 20 3.872 9.186 0.342 1.00 0.00 H new ATOM 0 HA LYS A 20 2.965 8.500 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.197 10.586 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.763 11.077 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.041 12.116 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.812 10.532 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.516 10.769 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.086 12.467 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.351 11.990 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.819 10.301 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.080 11.550 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.127 10.966 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.673 12.603 6.523 1.00 0.00 H new ATOM 291 N GLY A 21 0.517 8.384 3.042 1.00 0.00 N ATOM 292 CA GLY A 21 -0.972 8.264 3.070 1.00 0.00 C ATOM 293 C GLY A 21 -1.399 6.873 2.589 1.00 0.00 C ATOM 294 O GLY A 21 -2.469 6.398 2.922 1.00 0.00 O ATOM 0 H GLY A 21 0.997 7.969 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.339 8.436 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.418 9.029 2.435 1.00 0.00 H new ATOM 298 N TYR A 22 -0.575 6.215 1.809 1.00 0.00 N ATOM 299 CA TYR A 22 -0.935 4.856 1.305 1.00 0.00 C ATOM 300 C TYR A 22 -0.319 3.777 2.203 1.00 0.00 C ATOM 301 O TYR A 22 0.866 3.790 2.482 1.00 0.00 O ATOM 302 CB TYR A 22 -0.342 4.768 -0.106 1.00 0.00 C ATOM 303 CG TYR A 22 -0.884 5.883 -0.976 1.00 0.00 C ATOM 304 CD1 TYR A 22 -0.242 7.127 -1.001 1.00 0.00 C ATOM 305 CD2 TYR A 22 -2.023 5.670 -1.761 1.00 0.00 C ATOM 306 CE1 TYR A 22 -0.736 8.156 -1.810 1.00 0.00 C ATOM 307 CE2 TYR A 22 -2.518 6.700 -2.570 1.00 0.00 C ATOM 308 CZ TYR A 22 -1.875 7.942 -2.594 1.00 0.00 C ATOM 309 OH TYR A 22 -2.363 8.957 -3.393 1.00 0.00 O ATOM 0 H TYR A 22 0.333 6.563 1.500 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.014 4.700 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.745 4.833 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.583 3.802 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.636 7.293 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.520 4.711 -1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.239 9.115 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.397 6.535 -3.176 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.158 8.642 -3.872 1.00 0.00 H new ATOM 319 N ALA A 23 -1.118 2.842 2.647 1.00 0.00 N ATOM 320 CA ALA A 23 -0.596 1.749 3.523 1.00 0.00 C ATOM 321 C ALA A 23 -0.791 0.393 2.836 1.00 0.00 C ATOM 322 O ALA A 23 -1.708 0.213 2.056 1.00 0.00 O ATOM 323 CB ALA A 23 -1.432 1.827 4.801 1.00 0.00 C ATOM 0 H ALA A 23 -2.115 2.788 2.440 1.00 0.00 H new ATOM 0 HA ALA A 23 0.469 1.856 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.107 1.053 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.302 2.806 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.484 1.677 4.557 1.00 0.00 H new ATOM 329 N CYS A 24 0.064 -0.561 3.116 1.00 0.00 N ATOM 330 CA CYS A 24 -0.075 -1.904 2.469 1.00 0.00 C ATOM 331 C CYS A 24 -0.975 -2.814 3.308 1.00 0.00 C ATOM 332 O CYS A 24 -1.168 -2.600 4.491 1.00 0.00 O ATOM 333 CB CYS A 24 1.343 -2.475 2.404 1.00 0.00 C ATOM 334 SG CYS A 24 1.994 -2.286 0.730 1.00 0.00 S ATOM 0 H CYS A 24 0.848 -0.469 3.761 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.530 -1.829 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.987 -1.959 3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.335 -3.528 2.686 1.00 0.00 H new ATOM 339 N SER A 25 -1.533 -3.829 2.697 1.00 0.00 N ATOM 340 CA SER A 25 -2.428 -4.760 3.441 1.00 0.00 C ATOM 341 C SER A 25 -2.089 -6.217 3.112 1.00 0.00 C ATOM 342 O SER A 25 -2.276 -6.666 1.998 1.00 0.00 O ATOM 343 CB SER A 25 -3.839 -4.418 2.957 1.00 0.00 C ATOM 344 OG SER A 25 -4.436 -3.501 3.865 1.00 0.00 O ATOM 0 H SER A 25 -1.405 -4.052 1.710 1.00 0.00 H new ATOM 0 HA SER A 25 -2.323 -4.652 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.798 -3.984 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.442 -5.323 2.887 1.00 0.00 H new ATOM 0 HG SER A 25 -5.343 -3.285 3.563 1.00 0.00 H new ATOM 350 N LYS A 26 -1.606 -6.960 4.076 1.00 0.00 N ATOM 351 CA LYS A 26 -1.276 -8.396 3.822 1.00 0.00 C ATOM 352 C LYS A 26 -2.568 -9.200 3.638 1.00 0.00 C ATOM 353 O LYS A 26 -2.634 -10.109 2.831 1.00 0.00 O ATOM 354 CB LYS A 26 -0.517 -8.865 5.067 1.00 0.00 C ATOM 355 CG LYS A 26 -0.114 -10.333 4.896 1.00 0.00 C ATOM 356 CD LYS A 26 1.199 -10.595 5.639 1.00 0.00 C ATOM 357 CE LYS A 26 1.104 -11.924 6.395 1.00 0.00 C ATOM 358 NZ LYS A 26 2.517 -12.347 6.615 1.00 0.00 N ATOM 0 H LYS A 26 -1.426 -6.635 5.026 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.681 -8.532 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.369 -8.249 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.142 -8.749 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.899 -10.983 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.002 -10.568 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.029 -10.625 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.403 -9.782 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.577 -11.803 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.555 -12.668 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.533 -13.251 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.992 -12.462 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.013 -11.623 7.173 1.00 0.00 H new ATOM 372 N THR A 27 -3.598 -8.862 4.377 1.00 0.00 N ATOM 373 CA THR A 27 -4.903 -9.589 4.252 1.00 0.00 C ATOM 374 C THR A 27 -5.456 -9.427 2.834 1.00 0.00 C ATOM 375 O THR A 27 -5.953 -10.364 2.239 1.00 0.00 O ATOM 376 CB THR A 27 -5.845 -8.920 5.267 1.00 0.00 C ATOM 377 OG1 THR A 27 -5.171 -8.745 6.508 1.00 0.00 O ATOM 378 CG2 THR A 27 -7.082 -9.793 5.481 1.00 0.00 C ATOM 0 H THR A 27 -3.591 -8.109 5.066 1.00 0.00 H new ATOM 0 HA THR A 27 -4.796 -10.657 4.443 1.00 0.00 H new ATOM 0 HB THR A 27 -6.150 -7.948 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.775 -8.317 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.745 -9.314 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.606 -9.920 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.778 -10.768 5.861 1.00 0.00 H new ATOM 386 N TRP A 28 -5.362 -8.241 2.293 1.00 0.00 N ATOM 387 CA TRP A 28 -5.873 -7.994 0.910 1.00 0.00 C ATOM 388 C TRP A 28 -4.788 -8.360 -0.110 1.00 0.00 C ATOM 389 O TRP A 28 -4.993 -9.189 -0.975 1.00 0.00 O ATOM 390 CB TRP A 28 -6.191 -6.495 0.856 1.00 0.00 C ATOM 391 CG TRP A 28 -7.179 -6.129 1.927 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.953 -7.003 2.614 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.509 -4.805 2.441 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.726 -6.302 3.520 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.493 -4.945 3.448 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.055 -3.509 2.134 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -9.007 -3.840 4.128 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.571 -2.396 2.815 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.544 -2.562 3.810 1.00 0.00 C ATOM 0 H TRP A 28 -4.951 -7.428 2.751 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.753 -8.593 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.275 -5.918 0.985 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.595 -6.238 -0.123 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.964 -8.074 2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.388 -6.736 4.163 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.305 -3.370 1.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.757 -3.972 4.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.216 -1.406 2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.936 -1.701 4.331 1.00 0.00 H new ATOM 410 N GLY A 29 -3.629 -7.755 0.003 1.00 0.00 N ATOM 411 CA GLY A 29 -2.515 -8.071 -0.940 1.00 0.00 C ATOM 412 C GLY A 29 -2.105 -6.831 -1.751 1.00 0.00 C ATOM 413 O GLY A 29 -1.500 -6.959 -2.799 1.00 0.00 O ATOM 0 H GLY A 29 -3.409 -7.054 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.657 -8.444 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.824 -8.867 -1.618 1.00 0.00 H new ATOM 417 N TRP A 30 -2.412 -5.637 -1.292 1.00 0.00 N ATOM 418 CA TRP A 30 -2.008 -4.424 -2.071 1.00 0.00 C ATOM 419 C TRP A 30 -1.783 -3.213 -1.152 1.00 0.00 C ATOM 420 O TRP A 30 -1.834 -3.320 0.057 1.00 0.00 O ATOM 421 CB TRP A 30 -3.152 -4.172 -3.069 1.00 0.00 C ATOM 422 CG TRP A 30 -4.387 -3.703 -2.363 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.531 -2.500 -1.760 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.656 -4.396 -2.196 1.00 0.00 C ATOM 425 NE1 TRP A 30 -5.800 -2.416 -1.228 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.534 -3.559 -1.470 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.123 -5.661 -2.598 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.831 -3.959 -1.155 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.429 -6.067 -2.282 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.281 -5.217 -1.562 1.00 0.00 C ATOM 0 H TRP A 30 -2.917 -5.454 -0.425 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.059 -4.579 -2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.843 -3.427 -3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.369 -5.088 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.775 -1.731 -1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.154 -1.607 -0.717 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.474 -6.323 -3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.484 -3.301 -0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.780 -7.039 -2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.285 -5.535 -1.322 1.00 0.00 H new ATOM 441 N CYS A 31 -1.530 -2.064 -1.732 1.00 0.00 N ATOM 442 CA CYS A 31 -1.292 -0.834 -0.923 1.00 0.00 C ATOM 443 C CYS A 31 -2.198 0.302 -1.405 1.00 0.00 C ATOM 444 O CYS A 31 -2.232 0.624 -2.580 1.00 0.00 O ATOM 445 CB CYS A 31 0.173 -0.469 -1.160 1.00 0.00 C ATOM 446 SG CYS A 31 0.742 0.614 0.171 1.00 0.00 S ATOM 0 H CYS A 31 -1.478 -1.928 -2.742 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.508 -0.997 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.783 -1.371 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.284 0.030 -2.123 1.00 0.00 H new ATOM 451 N ALA A 32 -2.927 0.906 -0.503 1.00 0.00 N ATOM 452 CA ALA A 32 -3.832 2.030 -0.894 1.00 0.00 C ATOM 453 C ALA A 32 -3.994 3.011 0.273 1.00 0.00 C ATOM 454 O ALA A 32 -3.515 2.771 1.365 1.00 0.00 O ATOM 455 CB ALA A 32 -5.169 1.366 -1.229 1.00 0.00 C ATOM 0 H ALA A 32 -2.935 0.670 0.489 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.440 2.602 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.889 2.128 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.029 0.660 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.542 0.837 -0.352 1.00 0.00 H new ATOM 461 N VAL A 33 -4.667 4.116 0.050 1.00 0.00 N ATOM 462 CA VAL A 33 -4.864 5.116 1.148 1.00 0.00 C ATOM 463 C VAL A 33 -5.549 4.451 2.352 1.00 0.00 C ATOM 464 O VAL A 33 -6.287 3.495 2.206 1.00 0.00 O ATOM 465 CB VAL A 33 -5.766 6.210 0.559 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.033 7.282 1.619 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.077 6.858 -0.646 1.00 0.00 C ATOM 0 H VAL A 33 -5.088 4.368 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.916 5.524 1.498 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.708 5.762 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.673 8.058 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.528 6.829 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.088 7.724 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.721 7.633 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.133 7.301 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.886 6.101 -1.406 1.00 0.00 H new ATOM 477 N GLU A 34 -5.308 4.952 3.539 1.00 0.00 N ATOM 478 CA GLU A 34 -5.943 4.348 4.750 1.00 0.00 C ATOM 479 C GLU A 34 -7.390 4.840 4.892 1.00 0.00 C ATOM 480 O GLU A 34 -7.647 5.893 5.446 1.00 0.00 O ATOM 481 CB GLU A 34 -5.085 4.821 5.931 1.00 0.00 C ATOM 482 CG GLU A 34 -4.652 3.611 6.761 1.00 0.00 C ATOM 483 CD GLU A 34 -5.826 3.134 7.622 1.00 0.00 C ATOM 484 OE1 GLU A 34 -6.028 3.703 8.682 1.00 0.00 O ATOM 485 OE2 GLU A 34 -6.504 2.208 7.204 1.00 0.00 O ATOM 0 H GLU A 34 -4.701 5.751 3.721 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.986 3.260 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.209 5.358 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.651 5.517 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.319 2.807 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.806 3.876 7.395 1.00 0.00 H new ATOM 492 N ALA A 35 -8.334 4.082 4.389 1.00 0.00 N ATOM 493 CA ALA A 35 -9.769 4.498 4.486 1.00 0.00 C ATOM 494 C ALA A 35 -10.692 3.271 4.434 1.00 0.00 C ATOM 495 O ALA A 35 -10.372 2.283 3.797 1.00 0.00 O ATOM 496 CB ALA A 35 -10.006 5.394 3.269 1.00 0.00 C ATOM 0 H ALA A 35 -8.173 3.193 3.915 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.981 5.012 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.039 5.741 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.335 6.252 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.813 4.828 2.358 1.00 0.00 H new ATOM 502 N PRO A 36 -11.815 3.379 5.105 1.00 0.00 N ATOM 503 CA PRO A 36 -12.801 2.265 5.130 1.00 0.00 C ATOM 504 C PRO A 36 -13.506 2.131 3.773 1.00 0.00 C ATOM 505 O PRO A 36 -13.669 1.010 3.323 1.00 0.00 O ATOM 506 CB PRO A 36 -13.786 2.683 6.220 1.00 0.00 C ATOM 507 CG PRO A 36 -13.679 4.173 6.290 1.00 0.00 C ATOM 508 CD PRO A 36 -12.271 4.532 5.893 1.00 0.00 C ATOM 0 HA PRO A 36 -12.343 1.295 5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.801 2.372 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.534 2.224 7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.400 4.643 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.899 4.529 7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.244 5.451 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.639 4.693 6.767 1.00 0.00 H new TER 516 PRO A 36