USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 297 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 Set 1.1: A 191 ASN : amide:sc= -0.503 K(o=-0.34,f=-5.5!) USER MOD Set 1.2: A 198 THR OG1 : rot 132:sc= 0.16 USER MOD Set 2.1: A 182 THR OG1 : rot 167:sc= -2.75! USER MOD Set 2.2: A 186 GLN : amide:sc= -0.0234 K(o=-2.8,f=-4.7) USER MOD Single : A 179 MET CE :methyl 172:sc= -5.84! (180deg=-6.28!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot -30:sc= 0.119 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.763 USER MOD Single : A 192 HIS : no HD1:sc= -1.96! C(o=-2!,f=-4.8!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= -0.0641 F(o=-0.99,f=-0.064) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00103 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.266 3.304 5.665 1.00 15.00 N ATOM 46 CA LEU A 173 8.077 3.684 4.918 1.00 15.00 C ATOM 47 C LEU A 173 8.442 4.701 3.842 1.00 15.00 C ATOM 48 O LEU A 173 8.685 5.868 4.148 1.00 15.00 O ATOM 49 CB LEU A 173 7.003 4.274 5.842 1.00 15.00 C ATOM 50 CG LEU A 173 6.450 3.334 6.919 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.407 4.053 7.759 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.849 2.087 6.291 1.00 15.00 C ATOM 0 HA LEU A 173 7.671 2.786 4.452 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.419 5.153 6.334 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.172 4.617 5.226 1.00 15.00 H new ATOM 0 HG LEU A 173 7.275 3.030 7.563 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.022 3.374 8.520 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.862 4.919 8.241 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.588 4.382 7.119 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.463 1.435 7.075 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.036 2.372 5.623 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.616 1.559 5.725 1.00 15.00 H new ATOM 64 N PRO A 174 8.549 4.248 2.581 1.00 15.00 N ATOM 65 CA PRO A 174 8.852 5.120 1.439 1.00 15.00 C ATOM 66 C PRO A 174 7.860 6.275 1.303 1.00 15.00 C ATOM 67 O PRO A 174 6.675 6.133 1.601 1.00 15.00 O ATOM 68 CB PRO A 174 8.744 4.180 0.233 1.00 15.00 C ATOM 69 CG PRO A 174 8.968 2.817 0.785 1.00 15.00 C ATOM 70 CD PRO A 174 8.404 2.841 2.176 1.00 15.00 C ATOM 0 HA PRO A 174 9.827 5.596 1.542 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.766 4.258 -0.241 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.487 4.425 -0.526 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.472 2.062 0.175 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.030 2.570 0.798 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.361 2.524 2.192 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.950 2.173 2.842 1.00 15.00 H new ATOM 78 N ALA A 175 8.347 7.406 0.811 1.00 15.00 N ATOM 79 CA ALA A 175 7.528 8.603 0.691 1.00 15.00 C ATOM 80 C ALA A 175 6.824 8.646 -0.659 1.00 15.00 C ATOM 81 O ALA A 175 7.406 8.291 -1.688 1.00 15.00 O ATOM 82 CB ALA A 175 8.383 9.844 0.890 1.00 15.00 C ATOM 0 H ALA A 175 9.308 7.519 0.488 1.00 15.00 H new ATOM 0 HA ALA A 175 6.763 8.577 1.467 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.760 10.734 0.798 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.836 9.819 1.881 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.167 9.871 0.134 1.00 15.00 H new ATOM 88 N GLY A 176 5.574 9.094 -0.648 1.00 15.00 N ATOM 89 CA GLY A 176 4.749 9.069 -1.843 1.00 15.00 C ATOM 90 C GLY A 176 3.979 7.770 -1.950 1.00 15.00 C ATOM 91 O GLY A 176 3.406 7.448 -2.995 1.00 15.00 O ATOM 0 H GLY A 176 5.112 9.478 0.176 1.00 15.00 H new ATOM 0 HA2 GLY A 176 4.052 9.907 -1.825 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.377 9.196 -2.725 1.00 15.00 H new ATOM 95 N TRP A 177 3.937 7.046 -0.842 1.00 15.00 N ATOM 96 CA TRP A 177 3.280 5.752 -0.784 1.00 15.00 C ATOM 97 C TRP A 177 2.236 5.739 0.327 1.00 15.00 C ATOM 98 O TRP A 177 2.325 6.502 1.290 1.00 15.00 O ATOM 99 CB TRP A 177 4.310 4.645 -0.532 1.00 15.00 C ATOM 100 CG TRP A 177 5.278 4.432 -1.656 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.348 5.213 -1.976 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.275 3.353 -2.598 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.004 4.696 -3.066 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.365 3.554 -3.466 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.454 2.239 -2.794 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.654 2.684 -4.513 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.744 1.374 -3.832 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.835 1.603 -4.681 1.00 15.00 C ATOM 0 H TRP A 177 4.357 7.339 0.040 1.00 15.00 H new ATOM 0 HA TRP A 177 2.788 5.572 -1.740 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.869 4.885 0.372 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.782 3.711 -0.342 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.638 6.109 -1.448 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.832 5.098 -3.506 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.609 2.058 -2.146 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.495 2.857 -5.169 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.120 0.507 -3.991 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.033 0.910 -5.486 1.00 15.00 H new ATOM 119 N GLU A 178 1.253 4.867 0.186 1.00 15.00 N ATOM 120 CA GLU A 178 0.241 4.677 1.212 1.00 15.00 C ATOM 121 C GLU A 178 0.552 3.403 1.985 1.00 15.00 C ATOM 122 O GLU A 178 0.526 2.309 1.419 1.00 15.00 O ATOM 123 CB GLU A 178 -1.147 4.597 0.577 1.00 15.00 C ATOM 124 CG GLU A 178 -2.284 4.617 1.580 1.00 15.00 C ATOM 125 CD GLU A 178 -2.292 5.889 2.400 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.739 6.929 1.878 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.824 5.856 3.555 1.00 15.00 O ATOM 0 H GLU A 178 1.133 4.275 -0.636 1.00 15.00 H new ATOM 0 HA GLU A 178 0.249 5.524 1.897 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.269 5.432 -0.112 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.213 3.684 -0.014 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.234 4.518 1.054 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.197 3.757 2.245 1.00 15.00 H new ATOM 134 N MET A 179 0.847 3.545 3.268 1.00 15.00 N ATOM 135 CA MET A 179 1.380 2.436 4.050 1.00 15.00 C ATOM 136 C MET A 179 0.342 1.899 5.023 1.00 15.00 C ATOM 137 O MET A 179 -0.016 2.582 5.983 1.00 15.00 O ATOM 138 CB MET A 179 2.612 2.878 4.854 1.00 15.00 C ATOM 139 CG MET A 179 3.410 4.009 4.221 1.00 15.00 C ATOM 140 SD MET A 179 4.002 3.620 2.565 1.00 15.00 S ATOM 141 CE MET A 179 5.149 2.297 2.909 1.00 15.00 C ATOM 0 H MET A 179 0.728 4.413 3.790 1.00 15.00 H new ATOM 0 HA MET A 179 1.657 1.653 3.344 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.288 3.191 5.847 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.269 2.019 4.989 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.788 4.903 4.177 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.262 4.245 4.858 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.489 1.857 1.971 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.005 2.691 3.456 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.654 1.534 3.510 1.00 15.00 H new ATOM 151 N ALA A 180 -0.157 0.694 4.774 1.00 15.00 N ATOM 152 CA ALA A 180 -1.017 0.035 5.747 1.00 15.00 C ATOM 153 C ALA A 180 -0.883 -1.480 5.664 1.00 15.00 C ATOM 154 O ALA A 180 -0.699 -2.047 4.586 1.00 15.00 O ATOM 155 CB ALA A 180 -2.463 0.463 5.580 1.00 15.00 C ATOM 0 H ALA A 180 0.015 0.161 3.921 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.690 0.345 6.739 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.081 -0.046 6.320 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.542 1.541 5.720 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.807 0.201 4.579 1.00 15.00 H new ATOM 161 N LYS A 181 -0.963 -2.126 6.816 1.00 15.00 N ATOM 162 CA LYS A 181 -0.797 -3.568 6.910 1.00 15.00 C ATOM 163 C LYS A 181 -1.930 -4.164 7.742 1.00 15.00 C ATOM 164 O LYS A 181 -2.118 -3.791 8.901 1.00 15.00 O ATOM 165 CB LYS A 181 0.557 -3.883 7.553 1.00 15.00 C ATOM 166 CG LYS A 181 1.732 -3.210 6.855 1.00 15.00 C ATOM 167 CD LYS A 181 2.926 -3.075 7.783 1.00 15.00 C ATOM 168 CE LYS A 181 4.098 -2.404 7.088 1.00 15.00 C ATOM 169 NZ LYS A 181 5.104 -1.895 8.058 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.144 -1.668 7.709 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.828 -4.006 5.912 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.536 -3.569 8.597 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.711 -4.962 7.547 1.00 15.00 H new ATOM 0 HG2 LYS A 181 2.016 -3.790 5.977 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.431 -2.224 6.502 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.642 -2.495 8.661 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.227 -4.061 8.136 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.574 -3.114 6.412 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.733 -1.578 6.477 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.887 -1.445 7.542 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.658 -1.198 8.687 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.472 -2.686 8.624 1.00 15.00 H new ATOM 183 N THR A 182 -2.684 -5.081 7.154 1.00 15.00 N ATOM 184 CA THR A 182 -3.828 -5.666 7.837 1.00 15.00 C ATOM 185 C THR A 182 -3.425 -6.925 8.599 1.00 15.00 C ATOM 186 O THR A 182 -2.511 -7.647 8.182 1.00 15.00 O ATOM 187 CB THR A 182 -4.962 -6.016 6.850 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.508 -6.994 5.908 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.438 -4.781 6.102 1.00 15.00 C ATOM 0 H THR A 182 -2.526 -5.435 6.210 1.00 15.00 H new ATOM 0 HA THR A 182 -4.192 -4.917 8.540 1.00 15.00 H new ATOM 0 HB THR A 182 -5.796 -6.418 7.426 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.276 -7.363 5.424 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.237 -5.058 5.414 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.811 -4.045 6.815 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.608 -4.353 5.540 1.00 15.00 H new ATOM 197 N SER A 183 -4.129 -7.194 9.697 1.00 15.00 N ATOM 198 CA SER A 183 -3.875 -8.374 10.522 1.00 15.00 C ATOM 199 C SER A 183 -4.167 -9.651 9.739 1.00 15.00 C ATOM 200 O SER A 183 -3.793 -10.747 10.154 1.00 15.00 O ATOM 201 CB SER A 183 -4.725 -8.325 11.797 1.00 15.00 C ATOM 202 OG SER A 183 -4.395 -9.382 12.684 1.00 15.00 O ATOM 0 H SER A 183 -4.888 -6.604 10.039 1.00 15.00 H new ATOM 0 HA SER A 183 -2.822 -8.377 10.803 1.00 15.00 H new ATOM 0 HB2 SER A 183 -4.576 -7.369 12.298 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.781 -8.386 11.534 1.00 15.00 H new ATOM 0 HG SER A 183 -4.082 -10.155 12.169 1.00 15.00 H new ATOM 208 N SER A 184 -4.865 -9.499 8.619 1.00 15.00 N ATOM 209 CA SER A 184 -5.131 -10.600 7.708 1.00 15.00 C ATOM 210 C SER A 184 -3.834 -11.110 7.080 1.00 15.00 C ATOM 211 O SER A 184 -3.797 -12.190 6.489 1.00 15.00 O ATOM 212 CB SER A 184 -6.107 -10.151 6.621 1.00 15.00 C ATOM 213 OG SER A 184 -7.289 -9.623 7.200 1.00 15.00 O ATOM 0 H SER A 184 -5.261 -8.608 8.319 1.00 15.00 H new ATOM 0 HA SER A 184 -5.579 -11.418 8.273 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.636 -9.397 5.990 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.356 -10.994 5.977 1.00 15.00 H new ATOM 0 HG SER A 184 -7.902 -9.339 6.490 1.00 15.00 H new ATOM 219 N GLY A 185 -2.775 -10.318 7.209 1.00 15.00 N ATOM 220 CA GLY A 185 -1.513 -10.644 6.582 1.00 15.00 C ATOM 221 C GLY A 185 -1.419 -10.057 5.194 1.00 15.00 C ATOM 222 O GLY A 185 -0.839 -10.654 4.288 1.00 15.00 O ATOM 0 H GLY A 185 -2.772 -9.449 7.742 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.693 -10.268 7.194 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.400 -11.727 6.529 1.00 15.00 H new ATOM 226 N GLN A 186 -1.993 -8.872 5.036 1.00 15.00 N ATOM 227 CA GLN A 186 -1.958 -8.168 3.764 1.00 15.00 C ATOM 228 C GLN A 186 -1.171 -6.881 3.903 1.00 15.00 C ATOM 229 O GLN A 186 -1.564 -5.974 4.638 1.00 15.00 O ATOM 230 CB GLN A 186 -3.369 -7.853 3.265 1.00 15.00 C ATOM 231 CG GLN A 186 -4.180 -9.080 2.903 1.00 15.00 C ATOM 232 CD GLN A 186 -5.640 -8.757 2.663 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.189 -7.823 3.251 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.280 -9.524 1.800 1.00 15.00 N ATOM 0 H GLN A 186 -2.490 -8.378 5.777 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.472 -8.818 3.036 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -3.900 -7.293 4.035 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.299 -7.205 2.391 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.760 -9.538 2.008 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.100 -9.814 3.704 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.789 -10.287 1.334 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.265 -9.353 1.599 1.00 15.00 H new ATOM 243 N ARG A 187 -0.051 -6.813 3.212 1.00 15.00 N ATOM 244 CA ARG A 187 0.754 -5.610 3.201 1.00 15.00 C ATOM 245 C ARG A 187 0.543 -4.873 1.882 1.00 15.00 C ATOM 246 O ARG A 187 1.103 -5.246 0.855 1.00 15.00 O ATOM 247 CB ARG A 187 2.241 -5.945 3.430 1.00 15.00 C ATOM 248 CG ARG A 187 2.832 -6.924 2.422 1.00 15.00 C ATOM 249 CD ARG A 187 4.155 -7.502 2.899 1.00 15.00 C ATOM 250 NE ARG A 187 5.154 -6.472 3.195 1.00 15.00 N ATOM 251 CZ ARG A 187 5.938 -6.491 4.274 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.818 -7.466 5.167 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.845 -5.540 4.457 1.00 15.00 N ATOM 0 H ARG A 187 0.322 -7.578 2.650 1.00 15.00 H new ATOM 0 HA ARG A 187 0.442 -4.958 4.017 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.817 -5.020 3.400 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.357 -6.360 4.431 1.00 15.00 H new ATOM 0 HG2 ARG A 187 2.125 -7.734 2.246 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.980 -6.417 1.468 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.983 -8.101 3.793 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.548 -8.174 2.136 1.00 15.00 H new ATOM 0 HE ARG A 187 5.256 -5.697 2.539 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.126 -8.202 5.029 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.418 -7.479 5.992 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.944 -4.791 3.771 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.443 -5.558 5.283 1.00 15.00 H new ATOM 267 N TYR A 188 -0.319 -3.866 1.889 1.00 15.00 N ATOM 268 CA TYR A 188 -0.590 -3.130 0.674 1.00 15.00 C ATOM 269 C TYR A 188 0.032 -1.749 0.742 1.00 15.00 C ATOM 270 O TYR A 188 -0.014 -1.066 1.773 1.00 15.00 O ATOM 271 CB TYR A 188 -2.100 -3.050 0.373 1.00 15.00 C ATOM 272 CG TYR A 188 -2.944 -2.357 1.424 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.883 -0.981 1.608 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.822 -3.084 2.216 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.659 -0.352 2.556 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.606 -2.458 3.172 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.518 -1.095 3.338 1.00 15.00 C ATOM 278 OH TYR A 188 -5.301 -0.470 4.283 1.00 15.00 O ATOM 0 H TYR A 188 -0.833 -3.548 2.711 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.133 -3.674 -0.153 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.236 -2.531 -0.576 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.479 -4.063 0.239 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.214 -0.394 0.996 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.895 -4.154 2.085 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.595 0.718 2.686 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.282 -3.037 3.783 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.850 -1.137 4.746 1.00 15.00 H new ATOM 288 N PHE A 189 0.626 -1.358 -0.361 1.00 15.00 N ATOM 289 CA PHE A 189 1.238 -0.057 -0.477 1.00 15.00 C ATOM 290 C PHE A 189 0.720 0.623 -1.734 1.00 15.00 C ATOM 291 O PHE A 189 0.829 0.083 -2.834 1.00 15.00 O ATOM 292 CB PHE A 189 2.763 -0.193 -0.526 1.00 15.00 C ATOM 293 CG PHE A 189 3.339 -1.009 0.601 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.659 -0.423 1.815 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.569 -2.367 0.443 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.194 -1.174 2.847 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.103 -3.120 1.471 1.00 15.00 C ATOM 298 CZ PHE A 189 4.416 -2.522 2.672 1.00 15.00 C ATOM 0 H PHE A 189 0.698 -1.932 -1.201 1.00 15.00 H new ATOM 0 HA PHE A 189 0.981 0.549 0.392 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.047 -0.649 -1.474 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.208 0.802 -0.505 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.489 0.634 1.958 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.328 -2.843 -0.496 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.437 -0.704 3.788 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.275 -4.177 1.333 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.835 -3.110 3.475 1.00 15.00 H new ATOM 308 N LEU A 190 0.135 1.791 -1.574 1.00 15.00 N ATOM 309 CA LEU A 190 -0.365 2.541 -2.715 1.00 15.00 C ATOM 310 C LEU A 190 0.707 3.458 -3.263 1.00 15.00 C ATOM 311 O LEU A 190 1.414 4.105 -2.498 1.00 15.00 O ATOM 312 CB LEU A 190 -1.533 3.444 -2.326 1.00 15.00 C ATOM 313 CG LEU A 190 -2.943 2.879 -2.423 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.899 4.037 -2.651 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.066 1.860 -3.549 1.00 15.00 C ATOM 0 H LEU A 190 -0.007 2.243 -0.671 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.677 1.800 -3.451 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.375 3.769 -1.298 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.488 4.335 -2.952 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.186 2.358 -1.497 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.918 3.658 -2.724 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.830 4.735 -1.817 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.635 4.550 -3.576 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.087 1.480 -3.586 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.822 2.336 -4.499 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.378 1.034 -3.369 1.00 15.00 H new ATOM 327 N ASN A 191 0.806 3.563 -4.574 1.00 15.00 N ATOM 328 CA ASN A 191 1.537 4.666 -5.145 1.00 15.00 C ATOM 329 C ASN A 191 0.547 5.792 -5.349 1.00 15.00 C ATOM 330 O ASN A 191 -0.253 5.739 -6.287 1.00 15.00 O ATOM 331 CB ASN A 191 2.194 4.328 -6.488 1.00 15.00 C ATOM 332 CG ASN A 191 3.064 3.085 -6.463 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.729 2.082 -5.833 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.191 3.145 -7.153 1.00 15.00 N ATOM 0 H ASN A 191 0.399 2.913 -5.246 1.00 15.00 H new ATOM 0 HA ASN A 191 2.347 4.933 -4.466 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.414 4.196 -7.238 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.801 5.176 -6.806 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.818 2.341 -7.176 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.433 3.995 -7.662 1.00 15.00 H new ATOM 341 N HIS A 192 0.563 6.772 -4.440 1.00 15.00 N ATOM 342 CA HIS A 192 -0.353 7.915 -4.517 1.00 15.00 C ATOM 343 C HIS A 192 0.039 8.830 -5.675 1.00 15.00 C ATOM 344 O HIS A 192 -0.650 9.801 -5.982 1.00 15.00 O ATOM 345 CB HIS A 192 -0.349 8.725 -3.211 1.00 15.00 C ATOM 346 CG HIS A 192 -1.475 8.406 -2.264 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.663 9.108 -2.232 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.572 7.482 -1.281 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.434 8.629 -1.278 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.799 7.642 -0.679 1.00 15.00 N ATOM 0 H HIS A 192 1.199 6.797 -3.643 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.356 7.521 -4.680 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.597 8.555 -2.698 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.391 9.786 -3.458 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.822 6.751 -1.016 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.422 8.986 -1.028 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.157 7.089 0.100 1.00 15.00 H new ATOM 359 N ILE A 193 1.176 8.524 -6.288 1.00 15.00 N ATOM 360 CA ILE A 193 1.674 9.287 -7.421 1.00 15.00 C ATOM 361 C ILE A 193 1.416 8.539 -8.726 1.00 15.00 C ATOM 362 O ILE A 193 0.946 9.121 -9.705 1.00 15.00 O ATOM 363 CB ILE A 193 3.188 9.560 -7.284 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.492 10.220 -5.935 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.680 10.438 -8.429 1.00 15.00 C ATOM 366 CD1 ILE A 193 4.970 10.414 -5.670 1.00 15.00 C ATOM 0 H ILE A 193 1.774 7.744 -6.014 1.00 15.00 H new ATOM 0 HA ILE A 193 1.142 10.238 -7.436 1.00 15.00 H new ATOM 0 HB ILE A 193 3.715 8.607 -7.331 1.00 15.00 H new ATOM 0 HG12 ILE A 193 2.995 11.189 -5.895 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.066 9.610 -5.138 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.749 10.619 -8.315 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.496 9.935 -9.378 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.147 11.389 -8.413 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.106 10.886 -4.697 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.471 9.446 -5.677 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.398 11.050 -6.445 1.00 15.00 H new ATOM 378 N ASP A 194 1.718 7.244 -8.725 1.00 15.00 N ATOM 379 CA ASP A 194 1.570 6.412 -9.920 1.00 15.00 C ATOM 380 C ASP A 194 0.127 5.967 -10.109 1.00 15.00 C ATOM 381 O ASP A 194 -0.247 5.524 -11.192 1.00 15.00 O ATOM 382 CB ASP A 194 2.451 5.160 -9.836 1.00 15.00 C ATOM 383 CG ASP A 194 3.926 5.460 -9.671 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.361 5.705 -8.528 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.664 5.420 -10.678 1.00 15.00 O ATOM 0 H ASP A 194 2.068 6.744 -7.908 1.00 15.00 H new ATOM 0 HA ASP A 194 1.879 7.025 -10.767 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.118 4.549 -8.997 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.309 4.566 -10.739 1.00 15.00 H new ATOM 390 N GLN A 195 -0.667 6.064 -9.043 1.00 15.00 N ATOM 391 CA GLN A 195 -2.033 5.548 -9.039 1.00 15.00 C ATOM 392 C GLN A 195 -2.031 4.043 -9.292 1.00 15.00 C ATOM 393 O GLN A 195 -2.436 3.566 -10.354 1.00 15.00 O ATOM 394 CB GLN A 195 -2.908 6.287 -10.070 1.00 15.00 C ATOM 395 CG GLN A 195 -4.310 5.710 -10.226 1.00 15.00 C ATOM 396 CD GLN A 195 -5.211 6.571 -11.083 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.751 7.293 -11.967 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.508 6.487 -10.836 1.00 15.00 N ATOM 0 H GLN A 195 -0.383 6.499 -8.165 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.466 5.728 -8.055 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.988 7.334 -9.778 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.408 6.264 -11.038 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.241 4.715 -10.666 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.760 5.591 -9.240 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.847 5.876 -10.093 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.169 7.034 -11.388 1.00 15.00 H new ATOM 407 N THR A 196 -1.507 3.291 -8.340 1.00 15.00 N ATOM 408 CA THR A 196 -1.534 1.842 -8.461 1.00 15.00 C ATOM 409 C THR A 196 -1.590 1.171 -7.096 1.00 15.00 C ATOM 410 O THR A 196 -1.098 1.710 -6.100 1.00 15.00 O ATOM 411 CB THR A 196 -0.335 1.299 -9.282 1.00 15.00 C ATOM 412 OG1 THR A 196 -0.577 -0.058 -9.670 1.00 15.00 O ATOM 413 CG2 THR A 196 0.959 1.359 -8.491 1.00 15.00 C ATOM 0 H THR A 196 -1.067 3.648 -7.492 1.00 15.00 H new ATOM 0 HA THR A 196 -2.445 1.594 -9.005 1.00 15.00 H new ATOM 0 HB THR A 196 -0.234 1.931 -10.164 1.00 15.00 H new ATOM 0 HG1 THR A 196 0.185 -0.391 -10.189 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.776 0.970 -9.099 1.00 15.00 H new ATOM 0 HG22 THR A 196 1.171 2.393 -8.217 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.861 0.757 -7.587 1.00 15.00 H new ATOM 421 N THR A 197 -2.215 0.004 -7.065 1.00 15.00 N ATOM 422 CA THR A 197 -2.363 -0.767 -5.849 1.00 15.00 C ATOM 423 C THR A 197 -1.323 -1.886 -5.804 1.00 15.00 C ATOM 424 O THR A 197 -1.371 -2.829 -6.595 1.00 15.00 O ATOM 425 CB THR A 197 -3.773 -1.362 -5.775 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.740 -0.332 -6.029 1.00 15.00 O ATOM 427 CG2 THR A 197 -4.033 -1.984 -4.412 1.00 15.00 C ATOM 0 H THR A 197 -2.633 -0.433 -7.886 1.00 15.00 H new ATOM 0 HA THR A 197 -2.209 -0.108 -4.994 1.00 15.00 H new ATOM 0 HB THR A 197 -3.858 -2.145 -6.529 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.642 -0.712 -5.984 1.00 15.00 H new ATOM 0 HG21 THR A 197 -5.041 -2.398 -4.387 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.309 -2.779 -4.231 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.936 -1.221 -3.639 1.00 15.00 H new ATOM 435 N THR A 198 -0.387 -1.766 -4.881 1.00 15.00 N ATOM 436 CA THR A 198 0.751 -2.666 -4.812 1.00 15.00 C ATOM 437 C THR A 198 0.637 -3.634 -3.619 1.00 15.00 C ATOM 438 O THR A 198 0.637 -3.203 -2.466 1.00 15.00 O ATOM 439 CB THR A 198 2.043 -1.820 -4.709 1.00 15.00 C ATOM 440 OG1 THR A 198 2.152 -0.973 -5.864 1.00 15.00 O ATOM 441 CG2 THR A 198 3.293 -2.674 -4.588 1.00 15.00 C ATOM 0 H THR A 198 -0.393 -1.045 -4.160 1.00 15.00 H new ATOM 0 HA THR A 198 0.777 -3.277 -5.714 1.00 15.00 H new ATOM 0 HB THR A 198 1.969 -1.223 -3.800 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.352 -0.057 -5.580 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.169 -2.029 -4.519 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.226 -3.292 -3.693 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.382 -3.315 -5.465 1.00 15.00 H new ATOM 449 N TRP A 199 0.512 -4.942 -3.900 1.00 15.00 N ATOM 450 CA TRP A 199 0.546 -5.968 -2.849 1.00 15.00 C ATOM 451 C TRP A 199 1.991 -6.234 -2.423 1.00 15.00 C ATOM 452 O TRP A 199 2.249 -6.882 -1.410 1.00 15.00 O ATOM 453 CB TRP A 199 -0.034 -7.306 -3.331 1.00 15.00 C ATOM 454 CG TRP A 199 -1.530 -7.478 -3.281 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.311 -7.950 -4.297 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.428 -7.217 -2.186 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.609 -8.064 -3.891 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.708 -7.620 -2.611 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.291 -6.704 -0.889 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.820 -7.543 -1.803 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.431 -6.598 -0.099 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.676 -7.036 -0.573 1.00 15.00 C ATOM 0 H TRP A 199 0.387 -5.311 -4.843 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.053 -5.586 -2.022 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.287 -7.459 -4.361 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.415 -8.101 -2.735 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.951 -8.199 -5.285 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.378 -8.424 -4.456 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.326 -6.399 -0.513 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.784 -7.883 -2.153 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.356 -6.173 0.891 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.540 -6.962 0.071 1.00 15.00 H new ATOM 473 N GLN A 200 2.924 -5.762 -3.236 1.00 15.00 N ATOM 474 CA GLN A 200 4.342 -6.028 -3.027 1.00 15.00 C ATOM 475 C GLN A 200 4.961 -4.957 -2.154 1.00 15.00 C ATOM 476 O GLN A 200 4.528 -3.811 -2.172 1.00 15.00 O ATOM 477 CB GLN A 200 5.073 -6.071 -4.372 1.00 15.00 C ATOM 478 CG GLN A 200 4.586 -7.173 -5.294 1.00 15.00 C ATOM 479 CD GLN A 200 4.855 -8.561 -4.747 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.969 -8.731 -4.052 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 4.079 -9.486 -4.976 1.00 15.00 N flip ATOM 0 H GLN A 200 2.723 -5.187 -4.054 1.00 15.00 H new ATOM 0 HA GLN A 200 4.439 -6.993 -2.529 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.952 -5.110 -4.872 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.140 -6.204 -4.192 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.515 -7.054 -5.460 1.00 15.00 H new ATOM 0 HG3 GLN A 200 5.072 -7.070 -6.264 1.00 15.00 H new ATOM 0 HE21 GLN A 200 3.230 -9.318 -5.515 1.00 15.00 H new ATOM 0 HE22 GLN A 200 4.284 -10.422 -4.627 1.00 15.00 H new ATOM 490 N ASP A 201 5.978 -5.329 -1.400 1.00 15.00 N ATOM 491 CA ASP A 201 6.694 -4.371 -0.579 1.00 15.00 C ATOM 492 C ASP A 201 7.760 -3.665 -1.415 1.00 15.00 C ATOM 493 O ASP A 201 8.768 -4.265 -1.777 1.00 15.00 O ATOM 494 CB ASP A 201 7.328 -5.065 0.625 1.00 15.00 C ATOM 495 CG ASP A 201 7.983 -4.084 1.569 1.00 15.00 C ATOM 496 OD1 ASP A 201 9.089 -3.612 1.257 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.390 -3.786 2.627 1.00 15.00 O1- ATOM 0 H ASP A 201 6.326 -6.286 -1.339 1.00 15.00 H new ATOM 0 HA ASP A 201 5.988 -3.627 -0.209 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.564 -5.628 1.161 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.070 -5.784 0.279 1.00 15.00 H new ATOM 502 N PRO A 202 7.523 -2.385 -1.756 1.00 15.00 N ATOM 503 CA PRO A 202 8.391 -1.595 -2.650 1.00 15.00 C ATOM 504 C PRO A 202 9.858 -1.503 -2.225 1.00 15.00 C ATOM 505 O PRO A 202 10.719 -1.191 -3.048 1.00 15.00 O ATOM 506 CB PRO A 202 7.767 -0.195 -2.621 1.00 15.00 C ATOM 507 CG PRO A 202 6.848 -0.198 -1.447 1.00 15.00 C ATOM 508 CD PRO A 202 6.355 -1.606 -1.333 1.00 15.00 C ATOM 0 HA PRO A 202 8.431 -2.070 -3.630 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.532 0.575 -2.520 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.226 0.013 -3.544 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.368 0.111 -0.540 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.021 0.497 -1.593 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.052 -1.849 -0.315 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.492 -1.787 -1.974 1.00 15.00 H new ATOM 609 N PRO B 207 -9.127 -8.973 -3.296 1.00 15.00 N ATOM 610 CA PRO B 207 -8.996 -7.603 -3.826 1.00 15.00 C ATOM 611 C PRO B 207 -8.772 -6.566 -2.727 1.00 15.00 C ATOM 612 O PRO B 207 -9.442 -6.584 -1.690 1.00 15.00 O ATOM 613 CB PRO B 207 -10.343 -7.369 -4.509 1.00 15.00 C ATOM 614 CG PRO B 207 -10.796 -8.725 -4.920 1.00 15.00 C ATOM 615 CD PRO B 207 -10.296 -9.672 -3.863 1.00 15.00 C ATOM 0 HA PRO B 207 -8.135 -7.502 -4.487 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.056 -6.902 -3.830 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.242 -6.707 -5.369 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.883 -8.766 -4.997 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.397 -8.989 -5.899 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.055 -9.864 -3.105 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.019 -10.637 -4.288 1.00 15.00 H new ATOM 623 N PRO B 208 -7.840 -5.631 -2.964 1.00 15.00 N ATOM 624 CA PRO B 208 -7.270 -4.737 -1.970 1.00 15.00 C ATOM 625 C PRO B 208 -8.035 -3.403 -1.919 1.00 15.00 C ATOM 626 O PRO B 208 -9.006 -3.211 -2.654 1.00 15.00 O ATOM 627 CB PRO B 208 -5.821 -4.543 -2.522 1.00 15.00 C ATOM 628 CG PRO B 208 -5.825 -5.224 -3.864 1.00 15.00 C ATOM 629 CD PRO B 208 -7.263 -5.259 -4.237 1.00 15.00 C ATOM 0 HA PRO B 208 -7.308 -5.119 -0.950 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.572 -3.486 -2.616 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.081 -4.987 -1.856 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.235 -4.671 -4.595 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.402 -6.227 -3.805 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.625 -4.295 -4.594 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.474 -5.988 -5.020 1.00 15.00 H new ATOM 637 N PRO B 209 -7.609 -2.479 -1.044 1.00 15.00 N ATOM 638 CA PRO B 209 -8.221 -1.149 -0.907 1.00 15.00 C ATOM 639 C PRO B 209 -8.427 -0.408 -2.223 1.00 15.00 C ATOM 640 O PRO B 209 -7.648 -0.559 -3.168 1.00 15.00 O ATOM 641 CB PRO B 209 -7.173 -0.365 -0.136 1.00 15.00 C ATOM 642 CG PRO B 209 -6.344 -1.355 0.592 1.00 15.00 C ATOM 643 CD PRO B 209 -6.537 -2.693 -0.061 1.00 15.00 C ATOM 0 HA PRO B 209 -9.206 -1.248 -0.451 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.559 0.229 -0.813 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.644 0.330 0.559 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.293 -1.066 0.565 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.636 -1.398 1.641 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.621 -3.034 -0.543 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.815 -3.453 0.669 1.00 15.00 H new ATOM 651 N PRO B 210 -9.471 0.433 -2.276 1.00 15.00 N ATOM 652 CA PRO B 210 -9.650 1.398 -3.358 1.00 15.00 C ATOM 653 C PRO B 210 -8.555 2.459 -3.318 1.00 15.00 C ATOM 654 O PRO B 210 -8.223 2.982 -2.253 1.00 15.00 O ATOM 655 CB PRO B 210 -11.020 2.023 -3.068 1.00 15.00 C ATOM 656 CG PRO B 210 -11.248 1.797 -1.614 1.00 15.00 C ATOM 657 CD PRO B 210 -10.561 0.503 -1.286 1.00 15.00 C ATOM 0 HA PRO B 210 -9.595 0.941 -4.346 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.027 3.086 -3.308 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.802 1.556 -3.667 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.840 2.617 -1.023 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.313 1.742 -1.390 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.178 0.499 -0.266 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.239 -0.346 -1.375 1.00 15.00 H new ATOM 665 N TYR B 211 -8.004 2.779 -4.476 1.00 15.00 N ATOM 666 CA TYR B 211 -6.891 3.716 -4.572 1.00 15.00 C ATOM 667 C TYR B 211 -7.310 5.164 -4.282 1.00 15.00 C ATOM 668 O TYR B 211 -6.455 6.029 -4.091 1.00 15.00 O ATOM 669 CB TYR B 211 -6.226 3.623 -5.962 1.00 15.00 C ATOM 670 CG TYR B 211 -5.314 4.792 -6.266 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.031 4.848 -5.745 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.755 5.863 -7.035 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.213 5.931 -5.977 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.937 6.947 -7.278 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.671 6.978 -6.743 1.00 15.00 C ATOM 676 OH TYR B 211 -2.852 8.055 -6.986 1.00 15.00 O ATOM 0 H TYR B 211 -8.311 2.401 -5.372 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.171 3.430 -3.805 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.653 2.698 -6.022 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.002 3.567 -6.726 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.666 4.027 -5.146 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.753 5.846 -7.448 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.217 5.958 -5.560 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.290 7.767 -7.886 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.326 8.707 -7.544 1.00 15.00 H new ATOM 686 N SER B 212 -8.609 5.421 -4.183 1.00 15.00 N ATOM 687 CA SER B 212 -9.124 6.777 -4.351 1.00 15.00 C ATOM 688 C SER B 212 -8.526 7.755 -3.337 1.00 15.00 C ATOM 689 O SER B 212 -7.739 8.622 -3.724 1.00 15.00 O ATOM 690 CB SER B 212 -10.643 6.752 -4.223 1.00 15.00 C ATOM 691 OG SER B 212 -11.191 5.729 -5.035 1.00 15.00 O ATOM 0 H SER B 212 -9.320 4.716 -3.989 1.00 15.00 H new ATOM 0 HA SER B 212 -8.833 7.129 -5.341 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.924 6.589 -3.183 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.055 7.718 -4.516 1.00 15.00 H new ATOM 0 HG SER B 212 -12.166 5.724 -4.941 1.00 15.00 H new ATOM 697 N ARG B 213 -8.875 7.659 -2.062 1.00 15.00 N ATOM 698 CA ARG B 213 -8.167 8.463 -1.077 1.00 15.00 C ATOM 699 C ARG B 213 -7.494 7.597 -0.019 1.00 15.00 C ATOM 700 O ARG B 213 -6.269 7.467 0.007 1.00 15.00 O ATOM 701 CB ARG B 213 -9.126 9.454 -0.408 1.00 15.00 C ATOM 702 CG ARG B 213 -9.773 10.430 -1.375 1.00 15.00 C ATOM 703 CD ARG B 213 -8.741 11.330 -2.031 1.00 15.00 C ATOM 704 NE ARG B 213 -9.337 12.183 -3.060 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.637 12.961 -3.885 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.322 13.069 -3.747 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.254 13.650 -4.835 1.00 15.00 N ATOM 0 H ARG B 213 -9.613 7.058 -1.695 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.388 9.014 -1.604 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.908 8.897 0.108 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.581 10.016 0.351 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.316 9.878 -2.142 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.504 11.040 -0.844 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.268 11.953 -1.272 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.956 10.718 -2.476 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.353 12.182 -3.152 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.843 12.555 -3.007 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.790 13.666 -4.381 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.267 13.585 -4.936 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.716 14.245 -5.465 1.00 15.00 H new ATOM 721 N TYR B 214 -8.309 6.996 0.840 1.00 15.00 N ATOM 722 CA TYR B 214 -7.809 6.208 1.960 1.00 15.00 C ATOM 723 C TYR B 214 -8.305 4.766 1.893 1.00 15.00 C ATOM 724 O TYR B 214 -9.494 4.522 1.694 1.00 15.00 O ATOM 725 CB TYR B 214 -8.182 6.880 3.289 1.00 15.00 C ATOM 726 CG TYR B 214 -7.297 8.074 3.607 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.081 9.070 2.664 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.661 8.193 4.836 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.262 10.146 2.924 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.841 9.272 5.111 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.643 10.245 4.150 1.00 15.00 C ATOM 732 OH TYR B 214 -4.819 11.316 4.416 1.00 15.00 O ATOM 0 H TYR B 214 -9.326 7.040 0.781 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.722 6.168 1.896 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.222 7.203 3.249 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.106 6.150 4.095 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.568 8.999 1.702 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.809 7.432 5.588 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.106 10.906 2.173 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.357 9.354 6.073 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.462 11.236 5.325 1.00 15.00 H new ATOM 742 N PRO B 215 -7.402 3.792 2.087 1.00 15.00 N ATOM 743 CA PRO B 215 -7.736 2.365 2.010 1.00 15.00 C ATOM 744 C PRO B 215 -8.588 1.859 3.170 1.00 15.00 C ATOM 745 O PRO B 215 -9.202 0.798 3.072 1.00 15.00 O ATOM 746 CB PRO B 215 -6.373 1.669 2.053 1.00 15.00 C ATOM 747 CG PRO B 215 -5.375 2.734 1.796 1.00 15.00 C ATOM 748 CD PRO B 215 -5.974 3.992 2.355 1.00 15.00 C ATOM 0 HA PRO B 215 -8.330 2.167 1.117 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.203 1.198 3.021 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.310 0.883 1.301 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.424 2.505 2.278 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.176 2.835 0.729 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.770 4.103 3.420 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.587 4.883 1.861 1.00 15.00 H new