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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc=-0.00359 (180deg=-0.682) 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 -176:sc= 1.3 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.944 9.902 -4.395 1.00 0.00 N ATOM 2 CA ASP A 1 13.870 8.959 -4.829 1.00 0.00 C ATOM 3 C ASP A 1 12.695 8.999 -3.842 1.00 0.00 C ATOM 4 O ASP A 1 12.874 8.852 -2.647 1.00 0.00 O ATOM 5 CB ASP A 1 14.527 7.574 -4.830 1.00 0.00 C ATOM 6 CG ASP A 1 14.553 7.020 -6.255 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.587 6.384 -6.642 1.00 0.00 O ATOM 8 OD2 ASP A 1 15.542 7.241 -6.937 1.00 0.00 O ATOM 0 H1 ASP A 1 15.733 9.865 -5.072 1.00 0.00 H new ATOM 0 H2 ASP A 1 14.563 10.869 -4.360 1.00 0.00 H new ATOM 0 H3 ASP A 1 15.285 9.629 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 1 13.469 9.218 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 1 15.541 7.641 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.976 6.898 -4.176 1.00 0.00 H new ATOM 15 N GLY A 2 11.498 9.198 -4.337 1.00 0.00 N ATOM 16 CA GLY A 2 10.305 9.252 -3.438 1.00 0.00 C ATOM 17 C GLY A 2 9.967 7.845 -2.939 1.00 0.00 C ATOM 18 O GLY A 2 9.859 6.912 -3.713 1.00 0.00 O ATOM 0 H GLY A 2 11.296 9.326 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.505 9.909 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.454 9.672 -3.973 1.00 0.00 H new ATOM 22 N GLU A 3 9.794 7.686 -1.649 1.00 0.00 N ATOM 23 CA GLU A 3 9.459 6.339 -1.094 1.00 0.00 C ATOM 24 C GLU A 3 7.936 6.138 -1.054 1.00 0.00 C ATOM 25 O GLU A 3 7.366 5.814 -0.029 1.00 0.00 O ATOM 26 CB GLU A 3 10.064 6.317 0.319 1.00 0.00 C ATOM 27 CG GLU A 3 9.422 7.405 1.193 1.00 0.00 C ATOM 28 CD GLU A 3 10.517 8.264 1.830 1.00 0.00 C ATOM 29 OE1 GLU A 3 10.958 9.202 1.185 1.00 0.00 O ATOM 30 OE2 GLU A 3 10.897 7.971 2.952 1.00 0.00 O ATOM 0 H GLU A 3 9.871 8.432 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 3 9.858 5.531 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.909 5.338 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.141 6.475 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.762 8.028 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.808 6.947 1.968 1.00 0.00 H new ATOM 37 N CYS A 4 7.275 6.327 -2.170 1.00 0.00 N ATOM 38 CA CYS A 4 5.791 6.147 -2.211 1.00 0.00 C ATOM 39 C CYS A 4 5.404 5.239 -3.385 1.00 0.00 C ATOM 40 O CYS A 4 6.138 5.099 -4.345 1.00 0.00 O ATOM 41 CB CYS A 4 5.227 7.564 -2.391 1.00 0.00 C ATOM 42 SG CYS A 4 3.748 7.533 -3.441 1.00 0.00 S ATOM 0 H CYS A 4 7.701 6.599 -3.056 1.00 0.00 H new ATOM 0 HA CYS A 4 5.399 5.673 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.980 7.989 -1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.984 8.209 -2.838 1.00 0.00 H new ATOM 47 N GLY A 5 4.250 4.626 -3.309 1.00 0.00 N ATOM 48 CA GLY A 5 3.796 3.729 -4.408 1.00 0.00 C ATOM 49 C GLY A 5 2.712 4.440 -5.217 1.00 0.00 C ATOM 50 O GLY A 5 2.984 5.383 -5.935 1.00 0.00 O ATOM 0 H GLY A 5 3.601 4.711 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.636 3.468 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.408 2.797 -3.997 1.00 0.00 H new ATOM 54 N GLY A 6 1.487 3.996 -5.107 1.00 0.00 N ATOM 55 CA GLY A 6 0.380 4.646 -5.867 1.00 0.00 C ATOM 56 C GLY A 6 -0.951 4.438 -5.131 1.00 0.00 C ATOM 57 O GLY A 6 -0.978 4.167 -3.945 1.00 0.00 O ATOM 0 H GLY A 6 1.206 3.209 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.581 5.711 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.320 4.225 -6.871 1.00 0.00 H new ATOM 61 N PHE A 7 -2.053 4.567 -5.831 1.00 0.00 N ATOM 62 CA PHE A 7 -3.394 4.379 -5.182 1.00 0.00 C ATOM 63 C PHE A 7 -3.733 2.886 -5.064 1.00 0.00 C ATOM 64 O PHE A 7 -4.379 2.467 -4.124 1.00 0.00 O ATOM 65 CB PHE A 7 -4.384 5.095 -6.109 1.00 0.00 C ATOM 66 CG PHE A 7 -5.801 4.866 -5.631 1.00 0.00 C ATOM 67 CD1 PHE A 7 -6.363 5.709 -4.664 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.557 3.811 -6.160 1.00 0.00 C ATOM 69 CE1 PHE A 7 -7.676 5.498 -4.225 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.869 3.600 -5.722 1.00 0.00 C ATOM 71 CZ PHE A 7 -8.430 4.443 -4.756 1.00 0.00 C ATOM 0 H PHE A 7 -2.084 4.795 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.422 4.780 -4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.167 6.163 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.272 4.726 -7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.783 6.523 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.126 3.160 -6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -8.107 6.148 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.449 2.786 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.443 4.281 -4.420 1.00 0.00 H new ATOM 81 N TRP A 8 -3.303 2.084 -6.005 1.00 0.00 N ATOM 82 CA TRP A 8 -3.596 0.621 -5.938 1.00 0.00 C ATOM 83 C TRP A 8 -2.385 -0.178 -6.435 1.00 0.00 C ATOM 84 O TRP A 8 -2.350 -0.653 -7.555 1.00 0.00 O ATOM 85 CB TRP A 8 -4.817 0.413 -6.844 1.00 0.00 C ATOM 86 CG TRP A 8 -5.130 -1.049 -6.950 1.00 0.00 C ATOM 87 CD1 TRP A 8 -5.382 -1.867 -5.902 1.00 0.00 C ATOM 88 CD2 TRP A 8 -5.227 -1.875 -8.148 1.00 0.00 C ATOM 89 NE1 TRP A 8 -5.626 -3.142 -6.380 1.00 0.00 N ATOM 90 CE2 TRP A 8 -5.542 -3.197 -7.757 1.00 0.00 C ATOM 91 CE3 TRP A 8 -5.072 -1.609 -9.521 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -5.701 -4.219 -8.694 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -5.231 -2.635 -10.467 1.00 0.00 C ATOM 94 CH2 TRP A 8 -5.544 -3.938 -10.054 1.00 0.00 C ATOM 0 H TRP A 8 -2.761 2.380 -6.817 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.797 0.279 -4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.676 0.949 -6.440 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.621 0.825 -7.834 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.391 -1.573 -4.863 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.842 -3.944 -5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.829 -0.609 -9.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.944 -5.220 -8.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.112 -2.419 -11.518 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.664 -4.723 -10.786 1.00 0.00 H new ATOM 105 N TRP A 9 -1.387 -0.320 -5.599 1.00 0.00 N ATOM 106 CA TRP A 9 -0.160 -1.082 -5.997 1.00 0.00 C ATOM 107 C TRP A 9 -0.127 -2.419 -5.249 1.00 0.00 C ATOM 108 O TRP A 9 -0.731 -2.563 -4.209 1.00 0.00 O ATOM 109 CB TRP A 9 1.013 -0.184 -5.578 1.00 0.00 C ATOM 110 CG TRP A 9 1.197 0.922 -6.575 1.00 0.00 C ATOM 111 CD1 TRP A 9 0.206 1.504 -7.294 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.429 1.594 -6.967 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.751 2.484 -8.097 1.00 0.00 N ATOM 114 CE2 TRP A 9 2.114 2.581 -7.931 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.772 1.447 -6.584 1.00 0.00 C ATOM 116 CZ2 TRP A 9 3.097 3.393 -8.492 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.764 2.264 -7.150 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.426 3.236 -8.101 1.00 0.00 C ATOM 0 H TRP A 9 -1.368 0.061 -4.653 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.125 -1.311 -7.062 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.826 0.235 -4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.926 -0.775 -5.506 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.841 1.243 -7.246 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.210 3.066 -8.736 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.043 0.702 -5.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.831 4.140 -9.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.794 2.142 -6.850 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.194 3.863 -8.530 1.00 0.00 H new ATOM 129 N LYS A 10 0.558 -3.407 -5.769 1.00 0.00 N ATOM 130 CA LYS A 10 0.595 -4.730 -5.069 1.00 0.00 C ATOM 131 C LYS A 10 1.757 -4.795 -4.078 1.00 0.00 C ATOM 132 O LYS A 10 2.875 -4.429 -4.390 1.00 0.00 O ATOM 133 CB LYS A 10 0.789 -5.775 -6.167 1.00 0.00 C ATOM 134 CG LYS A 10 -0.571 -6.341 -6.581 1.00 0.00 C ATOM 135 CD LYS A 10 -0.772 -6.159 -8.089 1.00 0.00 C ATOM 136 CE LYS A 10 -0.674 -7.517 -8.790 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.041 -8.108 -8.692 1.00 0.00 N ATOM 0 H LYS A 10 1.088 -3.357 -6.639 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.319 -4.897 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.285 -5.326 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.435 -6.577 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.629 -7.398 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.367 -5.835 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.745 -5.707 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.019 -5.478 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.368 -7.402 -9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.067 -8.156 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.050 -9.041 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.303 -8.213 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.724 -7.483 -9.165 1.00 0.00 H new ATOM 151 N CYS A 11 1.498 -5.275 -2.888 1.00 0.00 N ATOM 152 CA CYS A 11 2.581 -5.386 -1.871 1.00 0.00 C ATOM 153 C CYS A 11 2.292 -6.549 -0.909 1.00 0.00 C ATOM 154 O CYS A 11 1.196 -7.079 -0.874 1.00 0.00 O ATOM 155 CB CYS A 11 2.577 -4.047 -1.125 1.00 0.00 C ATOM 156 SG CYS A 11 1.078 -3.890 -0.129 1.00 0.00 S ATOM 0 H CYS A 11 0.580 -5.595 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 11 3.551 -5.588 -2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.456 -3.977 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.636 -3.225 -1.838 1.00 0.00 H new ATOM 161 N GLY A 12 3.267 -6.946 -0.128 1.00 0.00 N ATOM 162 CA GLY A 12 3.051 -8.067 0.834 1.00 0.00 C ATOM 163 C GLY A 12 2.511 -7.506 2.149 1.00 0.00 C ATOM 164 O GLY A 12 1.402 -7.006 2.212 1.00 0.00 O ATOM 0 H GLY A 12 4.203 -6.541 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.349 -8.789 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.987 -8.597 1.009 1.00 0.00 H new ATOM 168 N ARG A 13 3.294 -7.567 3.197 1.00 0.00 N ATOM 169 CA ARG A 13 2.839 -7.019 4.512 1.00 0.00 C ATOM 170 C ARG A 13 3.256 -5.543 4.636 1.00 0.00 C ATOM 171 O ARG A 13 3.480 -5.042 5.723 1.00 0.00 O ATOM 172 CB ARG A 13 3.553 -7.875 5.566 1.00 0.00 C ATOM 173 CG ARG A 13 2.531 -8.740 6.309 1.00 0.00 C ATOM 174 CD ARG A 13 2.333 -10.064 5.561 1.00 0.00 C ATOM 175 NE ARG A 13 3.519 -10.894 5.916 1.00 0.00 N ATOM 176 CZ ARG A 13 4.347 -11.285 4.982 1.00 0.00 C ATOM 177 NH1 ARG A 13 3.955 -12.145 4.079 1.00 0.00 N ATOM 178 NH2 ARG A 13 5.567 -10.817 4.956 1.00 0.00 N ATOM 0 H ARG A 13 4.230 -7.973 3.199 1.00 0.00 H new ATOM 0 HA ARG A 13 1.756 -7.055 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.301 -8.508 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.082 -7.234 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.874 -8.933 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.582 -8.211 6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.406 -10.552 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.273 -9.903 4.485 1.00 0.00 H new ATOM 0 HE ARG A 13 3.685 -11.157 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.003 -12.511 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.601 -12.450 3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.872 -10.148 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.214 -11.121 4.229 1.00 0.00 H new ATOM 192 N GLY A 14 3.360 -4.845 3.527 1.00 0.00 N ATOM 193 CA GLY A 14 3.764 -3.411 3.566 1.00 0.00 C ATOM 194 C GLY A 14 5.249 -3.283 3.216 1.00 0.00 C ATOM 195 O GLY A 14 5.945 -2.439 3.752 1.00 0.00 O ATOM 0 H GLY A 14 3.180 -5.215 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.164 -2.835 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.577 -2.997 4.557 1.00 0.00 H new ATOM 199 N LYS A 15 5.744 -4.109 2.321 1.00 0.00 N ATOM 200 CA LYS A 15 7.191 -4.026 1.942 1.00 0.00 C ATOM 201 C LYS A 15 7.492 -2.675 1.272 1.00 0.00 C ATOM 202 O LYS A 15 8.283 -1.903 1.780 1.00 0.00 O ATOM 203 CB LYS A 15 7.434 -5.193 0.977 1.00 0.00 C ATOM 204 CG LYS A 15 8.331 -6.235 1.650 1.00 0.00 C ATOM 205 CD LYS A 15 7.470 -7.208 2.459 1.00 0.00 C ATOM 206 CE LYS A 15 7.349 -6.711 3.903 1.00 0.00 C ATOM 207 NZ LYS A 15 6.899 -7.898 4.686 1.00 0.00 N ATOM 0 H LYS A 15 5.210 -4.833 1.840 1.00 0.00 H new ATOM 0 HA LYS A 15 7.846 -4.093 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.485 -5.646 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.903 -4.831 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.902 -6.778 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.052 -5.742 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.481 -7.294 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.915 -8.203 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.303 -6.334 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.632 -5.893 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.429 -7.581 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.232 -8.457 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.722 -8.485 4.931 1.00 0.00 H new ATOM 221 N PRO A 16 6.842 -2.423 0.160 1.00 0.00 N ATOM 222 CA PRO A 16 7.041 -1.143 -0.563 1.00 0.00 C ATOM 223 C PRO A 16 6.326 -0.009 0.185 1.00 0.00 C ATOM 224 O PRO A 16 5.160 -0.133 0.515 1.00 0.00 O ATOM 225 CB PRO A 16 6.393 -1.390 -1.921 1.00 0.00 C ATOM 226 CG PRO A 16 5.381 -2.466 -1.679 1.00 0.00 C ATOM 227 CD PRO A 16 5.877 -3.293 -0.520 1.00 0.00 C ATOM 0 HA PRO A 16 8.088 -0.851 -0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.922 -0.485 -2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.131 -1.702 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.406 -2.033 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.257 -3.085 -2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.061 -3.577 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.346 -4.216 -0.862 1.00 0.00 H new ATOM 235 N PRO A 17 7.043 1.059 0.436 1.00 0.00 N ATOM 236 CA PRO A 17 6.452 2.212 1.160 1.00 0.00 C ATOM 237 C PRO A 17 5.450 2.943 0.261 1.00 0.00 C ATOM 238 O PRO A 17 5.813 3.511 -0.752 1.00 0.00 O ATOM 239 CB PRO A 17 7.657 3.095 1.480 1.00 0.00 C ATOM 240 CG PRO A 17 8.679 2.742 0.449 1.00 0.00 C ATOM 241 CD PRO A 17 8.449 1.299 0.076 1.00 0.00 C ATOM 0 HA PRO A 17 5.901 1.924 2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.396 4.152 1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.030 2.905 2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.583 3.386 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.686 2.883 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.624 1.128 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.120 0.634 0.620 1.00 0.00 H new ATOM 249 N CYS A 18 4.191 2.929 0.625 1.00 0.00 N ATOM 250 CA CYS A 18 3.159 3.622 -0.206 1.00 0.00 C ATOM 251 C CYS A 18 3.139 5.119 0.118 1.00 0.00 C ATOM 252 O CYS A 18 3.779 5.569 1.051 1.00 0.00 O ATOM 253 CB CYS A 18 1.826 2.974 0.177 1.00 0.00 C ATOM 254 SG CYS A 18 1.866 1.211 -0.233 1.00 0.00 S ATOM 0 H CYS A 18 3.834 2.468 1.462 1.00 0.00 H new ATOM 0 HA CYS A 18 3.362 3.527 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.639 3.105 1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.008 3.462 -0.352 1.00 0.00 H new ATOM 259 N CYS A 19 2.406 5.895 -0.642 1.00 0.00 N ATOM 260 CA CYS A 19 2.342 7.366 -0.369 1.00 0.00 C ATOM 261 C CYS A 19 1.701 7.614 1.001 1.00 0.00 C ATOM 262 O CYS A 19 0.863 6.852 1.447 1.00 0.00 O ATOM 263 CB CYS A 19 1.478 7.953 -1.487 1.00 0.00 C ATOM 264 SG CYS A 19 2.520 8.909 -2.617 1.00 0.00 S ATOM 0 H CYS A 19 1.851 5.576 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 19 3.330 7.825 -0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.974 7.153 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.701 8.590 -1.064 1.00 0.00 H new ATOM 269 N LYS A 20 2.101 8.664 1.675 1.00 0.00 N ATOM 270 CA LYS A 20 1.531 8.964 3.026 1.00 0.00 C ATOM 271 C LYS A 20 -0.005 8.939 2.993 1.00 0.00 C ATOM 272 O LYS A 20 -0.630 9.493 2.107 1.00 0.00 O ATOM 273 CB LYS A 20 2.050 10.361 3.391 1.00 0.00 C ATOM 274 CG LYS A 20 1.565 11.392 2.365 1.00 0.00 C ATOM 275 CD LYS A 20 2.770 12.100 1.741 1.00 0.00 C ATOM 276 CE LYS A 20 2.355 12.739 0.413 1.00 0.00 C ATOM 277 NZ LYS A 20 3.316 13.860 0.204 1.00 0.00 N ATOM 0 H LYS A 20 2.801 9.329 1.346 1.00 0.00 H new ATOM 0 HA LYS A 20 1.832 8.219 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.703 10.637 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.139 10.355 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.978 10.900 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.912 12.120 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.149 12.863 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.579 11.388 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.406 12.019 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.328 13.103 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.094 14.346 -0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.241 14.533 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.285 13.484 0.161 1.00 0.00 H new ATOM 291 N GLY A 21 -0.611 8.280 3.949 1.00 0.00 N ATOM 292 CA GLY A 21 -2.102 8.193 3.985 1.00 0.00 C ATOM 293 C GLY A 21 -2.550 6.821 3.468 1.00 0.00 C ATOM 294 O GLY A 21 -3.593 6.321 3.845 1.00 0.00 O ATOM 0 H GLY A 21 -0.134 7.796 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.461 8.344 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.537 8.983 3.373 1.00 0.00 H new ATOM 298 N TYR A 22 -1.769 6.209 2.609 1.00 0.00 N ATOM 299 CA TYR A 22 -2.147 4.867 2.065 1.00 0.00 C ATOM 300 C TYR A 22 -1.568 3.756 2.951 1.00 0.00 C ATOM 301 O TYR A 22 -0.565 3.940 3.615 1.00 0.00 O ATOM 302 CB TYR A 22 -1.524 4.791 0.662 1.00 0.00 C ATOM 303 CG TYR A 22 -2.006 5.927 -0.225 1.00 0.00 C ATOM 304 CD1 TYR A 22 -3.107 6.715 0.142 1.00 0.00 C ATOM 305 CD2 TYR A 22 -1.337 6.185 -1.429 1.00 0.00 C ATOM 306 CE1 TYR A 22 -3.534 7.755 -0.693 1.00 0.00 C ATOM 307 CE2 TYR A 22 -1.767 7.223 -2.262 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.864 8.009 -1.895 1.00 0.00 C ATOM 309 OH TYR A 22 -3.287 9.032 -2.719 1.00 0.00 O ATOM 0 H TYR A 22 -0.886 6.582 2.261 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.229 4.738 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.438 4.827 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.778 3.836 0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.626 6.520 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.488 5.581 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.381 8.362 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.251 7.418 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.712 9.073 -3.511 1.00 0.00 H new ATOM 319 N ALA A 23 -2.188 2.603 2.952 1.00 0.00 N ATOM 320 CA ALA A 23 -1.678 1.467 3.779 1.00 0.00 C ATOM 321 C ALA A 23 -1.720 0.170 2.966 1.00 0.00 C ATOM 322 O ALA A 23 -2.539 0.010 2.081 1.00 0.00 O ATOM 323 CB ALA A 23 -2.627 1.381 4.977 1.00 0.00 C ATOM 0 H ALA A 23 -3.030 2.399 2.413 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.645 1.617 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.315 0.567 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.602 2.320 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.642 1.195 4.625 1.00 0.00 H new ATOM 329 N CYS A 24 -0.845 -0.760 3.260 1.00 0.00 N ATOM 330 CA CYS A 24 -0.839 -2.051 2.504 1.00 0.00 C ATOM 331 C CYS A 24 -1.758 -3.064 3.189 1.00 0.00 C ATOM 332 O CYS A 24 -2.124 -2.906 4.340 1.00 0.00 O ATOM 333 CB CYS A 24 0.612 -2.541 2.535 1.00 0.00 C ATOM 334 SG CYS A 24 1.395 -2.207 0.942 1.00 0.00 S ATOM 0 H CYS A 24 -0.136 -0.681 3.989 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.198 -1.926 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.159 -2.040 3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.642 -3.609 2.750 1.00 0.00 H new ATOM 339 N SER A 25 -2.132 -4.103 2.490 1.00 0.00 N ATOM 340 CA SER A 25 -3.026 -5.130 3.096 1.00 0.00 C ATOM 341 C SER A 25 -2.473 -6.534 2.847 1.00 0.00 C ATOM 342 O SER A 25 -2.623 -7.087 1.776 1.00 0.00 O ATOM 343 CB SER A 25 -4.379 -4.948 2.403 1.00 0.00 C ATOM 344 OG SER A 25 -5.304 -4.382 3.324 1.00 0.00 O ATOM 0 H SER A 25 -1.856 -4.284 1.525 1.00 0.00 H new ATOM 0 HA SER A 25 -3.108 -5.014 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.271 -4.300 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.748 -5.908 2.042 1.00 0.00 H new ATOM 0 HG SER A 25 -6.187 -4.317 2.903 1.00 0.00 H new ATOM 350 N LYS A 26 -1.840 -7.113 3.835 1.00 0.00 N ATOM 351 CA LYS A 26 -1.283 -8.492 3.668 1.00 0.00 C ATOM 352 C LYS A 26 -2.411 -9.484 3.347 1.00 0.00 C ATOM 353 O LYS A 26 -2.222 -10.436 2.613 1.00 0.00 O ATOM 354 CB LYS A 26 -0.629 -8.830 5.013 1.00 0.00 C ATOM 355 CG LYS A 26 -1.695 -8.918 6.113 1.00 0.00 C ATOM 356 CD LYS A 26 -1.013 -9.054 7.475 1.00 0.00 C ATOM 357 CE LYS A 26 -1.828 -10.002 8.365 1.00 0.00 C ATOM 358 NZ LYS A 26 -2.901 -9.154 8.961 1.00 0.00 N ATOM 0 H LYS A 26 -1.684 -6.692 4.751 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.568 -8.550 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.094 -9.777 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.107 -8.068 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.324 -8.028 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.348 -9.773 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.000 -9.437 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.927 -8.077 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.251 -10.821 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.204 -10.449 9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.498 -9.736 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.470 -8.387 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.484 -8.747 8.202 1.00 0.00 H new ATOM 372 N THR A 27 -3.582 -9.258 3.892 1.00 0.00 N ATOM 373 CA THR A 27 -4.737 -10.174 3.628 1.00 0.00 C ATOM 374 C THR A 27 -5.220 -10.015 2.182 1.00 0.00 C ATOM 375 O THR A 27 -5.560 -10.980 1.523 1.00 0.00 O ATOM 376 CB THR A 27 -5.835 -9.736 4.606 1.00 0.00 C ATOM 377 OG1 THR A 27 -5.292 -9.652 5.920 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.978 -10.756 4.590 1.00 0.00 C ATOM 0 H THR A 27 -3.789 -8.474 4.512 1.00 0.00 H new ATOM 0 HA THR A 27 -4.466 -11.221 3.764 1.00 0.00 H new ATOM 0 HB THR A 27 -6.218 -8.761 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.992 -9.371 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.756 -10.442 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.394 -10.820 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.598 -11.733 4.888 1.00 0.00 H new ATOM 386 N TRP A 28 -5.252 -8.804 1.690 1.00 0.00 N ATOM 387 CA TRP A 28 -5.714 -8.568 0.286 1.00 0.00 C ATOM 388 C TRP A 28 -4.560 -8.822 -0.690 1.00 0.00 C ATOM 389 O TRP A 28 -4.689 -9.582 -1.632 1.00 0.00 O ATOM 390 CB TRP A 28 -6.146 -7.098 0.236 1.00 0.00 C ATOM 391 CG TRP A 28 -7.253 -6.842 1.215 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.917 -7.792 1.919 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.837 -5.565 1.606 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.860 -7.177 2.720 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.854 -5.807 2.558 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.583 -4.234 1.229 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -9.595 -4.764 3.115 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -8.326 -3.182 1.789 1.00 0.00 C ATOM 399 CH2 TRP A 28 -9.332 -3.448 2.729 1.00 0.00 C ATOM 0 H TRP A 28 -4.978 -7.964 2.200 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.530 -9.233 0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.296 -6.455 0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.477 -6.844 -0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.738 -8.856 1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.485 -7.675 3.354 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.812 -4.020 0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.367 -4.973 3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.122 -2.163 1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.903 -2.636 3.154 1.00 0.00 H new ATOM 410 N GLY A 29 -3.432 -8.199 -0.459 1.00 0.00 N ATOM 411 CA GLY A 29 -2.254 -8.403 -1.353 1.00 0.00 C ATOM 412 C GLY A 29 -1.898 -7.108 -2.100 1.00 0.00 C ATOM 413 O GLY A 29 -1.200 -7.147 -3.097 1.00 0.00 O ATOM 0 H GLY A 29 -3.277 -7.554 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.399 -8.734 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.471 -9.193 -2.071 1.00 0.00 H new ATOM 417 N TRP A 30 -2.352 -5.960 -1.640 1.00 0.00 N ATOM 418 CA TRP A 30 -2.004 -4.692 -2.356 1.00 0.00 C ATOM 419 C TRP A 30 -1.968 -3.495 -1.394 1.00 0.00 C ATOM 420 O TRP A 30 -2.026 -3.648 -0.191 1.00 0.00 O ATOM 421 CB TRP A 30 -3.078 -4.512 -3.441 1.00 0.00 C ATOM 422 CG TRP A 30 -4.422 -4.244 -2.832 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.778 -3.105 -2.194 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.596 -5.106 -2.814 1.00 0.00 C ATOM 425 NE1 TRP A 30 -6.091 -3.216 -1.780 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.640 -4.432 -2.140 1.00 0.00 C ATOM 427 CE3 TRP A 30 -5.853 -6.396 -3.312 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.895 -5.015 -1.964 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.114 -6.986 -3.138 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.133 -6.297 -2.465 1.00 0.00 C ATOM 0 H TRP A 30 -2.939 -5.850 -0.813 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.007 -4.746 -2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.802 -3.687 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.128 -5.408 -4.060 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.139 -2.249 -2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.594 -2.489 -1.271 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.075 -6.936 -3.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.676 -4.480 -1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.301 -7.977 -3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.101 -6.757 -2.334 1.00 0.00 H new ATOM 441 N CYS A 31 -1.862 -2.303 -1.931 1.00 0.00 N ATOM 442 CA CYS A 31 -1.807 -1.078 -1.082 1.00 0.00 C ATOM 443 C CYS A 31 -2.765 -0.012 -1.620 1.00 0.00 C ATOM 444 O CYS A 31 -2.763 0.303 -2.797 1.00 0.00 O ATOM 445 CB CYS A 31 -0.362 -0.588 -1.192 1.00 0.00 C ATOM 446 SG CYS A 31 -0.013 0.575 0.149 1.00 0.00 S ATOM 0 H CYS A 31 -1.811 -2.128 -2.935 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.100 -1.281 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.324 -1.433 -1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.203 -0.105 -2.156 1.00 0.00 H new ATOM 451 N ALA A 32 -3.572 0.552 -0.760 1.00 0.00 N ATOM 452 CA ALA A 32 -4.529 1.611 -1.200 1.00 0.00 C ATOM 453 C ALA A 32 -4.779 2.599 -0.053 1.00 0.00 C ATOM 454 O ALA A 32 -4.175 2.500 0.998 1.00 0.00 O ATOM 455 CB ALA A 32 -5.812 0.859 -1.568 1.00 0.00 C ATOM 0 H ALA A 32 -3.610 0.324 0.233 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.152 2.194 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.567 1.570 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.601 0.150 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.182 0.321 -0.695 1.00 0.00 H new ATOM 461 N VAL A 33 -5.661 3.550 -0.243 1.00 0.00 N ATOM 462 CA VAL A 33 -5.940 4.540 0.849 1.00 0.00 C ATOM 463 C VAL A 33 -6.744 3.860 1.965 1.00 0.00 C ATOM 464 O VAL A 33 -7.960 3.812 1.931 1.00 0.00 O ATOM 465 CB VAL A 33 -6.756 5.671 0.198 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.842 6.857 1.165 1.00 0.00 C ATOM 467 CG2 VAL A 33 -6.077 6.130 -1.099 1.00 0.00 C ATOM 0 H VAL A 33 -6.197 3.685 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.025 4.928 1.296 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.756 5.302 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.420 7.659 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.330 6.540 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.838 7.216 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.662 6.930 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.075 6.495 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.012 5.291 -1.792 1.00 0.00 H new ATOM 477 N GLU A 34 -6.066 3.321 2.947 1.00 0.00 N ATOM 478 CA GLU A 34 -6.777 2.628 4.065 1.00 0.00 C ATOM 479 C GLU A 34 -6.715 3.462 5.353 1.00 0.00 C ATOM 480 O GLU A 34 -7.617 3.417 6.170 1.00 0.00 O ATOM 481 CB GLU A 34 -6.034 1.300 4.244 1.00 0.00 C ATOM 482 CG GLU A 34 -6.231 0.427 2.999 1.00 0.00 C ATOM 483 CD GLU A 34 -5.862 -1.023 3.326 1.00 0.00 C ATOM 484 OE1 GLU A 34 -6.606 -1.656 4.056 1.00 0.00 O ATOM 485 OE2 GLU A 34 -4.838 -1.476 2.840 1.00 0.00 O ATOM 0 H GLU A 34 -5.049 3.331 3.023 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.834 2.480 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.972 1.485 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.405 0.780 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.267 0.483 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.611 0.796 2.182 1.00 0.00 H new ATOM 492 N ALA A 35 -5.661 4.220 5.543 1.00 0.00 N ATOM 493 CA ALA A 35 -5.545 5.056 6.780 1.00 0.00 C ATOM 494 C ALA A 35 -6.230 6.415 6.575 1.00 0.00 C ATOM 495 O ALA A 35 -6.365 6.877 5.457 1.00 0.00 O ATOM 496 CB ALA A 35 -4.042 5.245 7.001 1.00 0.00 C ATOM 0 H ALA A 35 -4.877 4.296 4.895 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.026 4.583 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.879 5.850 7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.568 4.272 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.608 5.748 6.137 1.00 0.00 H new ATOM 502 N PRO A 36 -6.641 7.013 7.669 1.00 0.00 N ATOM 503 CA PRO A 36 -7.321 8.334 7.610 1.00 0.00 C ATOM 504 C PRO A 36 -6.324 9.439 7.232 1.00 0.00 C ATOM 505 O PRO A 36 -5.273 9.508 7.852 1.00 0.00 O ATOM 506 CB PRO A 36 -7.850 8.532 9.030 1.00 0.00 C ATOM 507 CG PRO A 36 -6.969 7.690 9.892 1.00 0.00 C ATOM 508 CD PRO A 36 -6.515 6.524 9.050 1.00 0.00 C ATOM 0 HA PRO A 36 -8.111 8.375 6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.805 9.580 9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.892 8.223 9.110 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.114 8.265 10.248 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.509 7.343 10.773 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.488 6.241 9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.135 5.644 9.220 1.00 0.00 H new TER 516 PRO A 36