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= 0.575 K(o=1.2,f=-5.9!) USER MOD Set 1.2: A 198 THR OG1 : rot 118:sc= 0.648 USER MOD Set 2.1: A 182 THR OG1 : rot 180:sc= -0.016 USER MOD Set 2.2: A 184 SER OG : rot 180:sc= 0.00165 USER MOD Single : A 179 MET CE :methyl 179:sc= -7.2! (180deg=-7.44!) USER MOD Single : A 181 LYS NZ :NH3+ -118:sc= 0.163 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 186 GLN : amide:sc= -0.667! C(o=-0.67!,f=-1.5!) USER MOD Single : A 188 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 192 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-5.2!) USER MOD Single : A 195 GLN : amide:sc=-0.00678 K(o=-0.0068,f=-0.96) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00295 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.482 3.188 5.137 1.00 15.00 N ATOM 46 CA LEU A 173 8.254 3.319 4.373 1.00 15.00 C ATOM 47 C LEU A 173 8.473 4.304 3.228 1.00 15.00 C ATOM 48 O LEU A 173 8.650 5.497 3.466 1.00 15.00 O ATOM 49 CB LEU A 173 7.108 3.806 5.268 1.00 15.00 C ATOM 50 CG LEU A 173 6.710 2.875 6.422 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.693 3.562 7.319 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.138 1.568 5.891 1.00 15.00 C ATOM 0 HA LEU A 173 7.984 2.343 3.971 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.387 4.772 5.688 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.231 3.972 4.643 1.00 15.00 H new ATOM 0 HG LEU A 173 7.604 2.648 7.003 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.417 2.894 8.135 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.127 4.474 7.729 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.805 3.811 6.738 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.863 0.925 6.727 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.254 1.776 5.288 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.886 1.066 5.278 1.00 15.00 H new ATOM 64 N PRO A 174 8.492 3.810 1.977 1.00 15.00 N ATOM 65 CA PRO A 174 8.741 4.644 0.794 1.00 15.00 C ATOM 66 C PRO A 174 7.814 5.860 0.723 1.00 15.00 C ATOM 67 O PRO A 174 6.660 5.809 1.159 1.00 15.00 O ATOM 68 CB PRO A 174 8.473 3.695 -0.379 1.00 15.00 C ATOM 69 CG PRO A 174 8.627 2.319 0.172 1.00 15.00 C ATOM 70 CD PRO A 174 8.264 2.399 1.623 1.00 15.00 C ATOM 0 HA PRO A 174 9.748 5.060 0.801 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.472 3.845 -0.783 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.175 3.871 -1.194 1.00 15.00 H new ATOM 0 HG2 PRO A 174 7.979 1.617 -0.352 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.650 1.963 0.047 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.227 2.109 1.790 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.882 1.733 2.225 1.00 15.00 H new ATOM 78 N ALA A 175 8.315 6.941 0.142 1.00 15.00 N ATOM 79 CA ALA A 175 7.565 8.183 0.055 1.00 15.00 C ATOM 80 C ALA A 175 6.739 8.218 -1.222 1.00 15.00 C ATOM 81 O ALA A 175 7.182 7.751 -2.273 1.00 15.00 O ATOM 82 CB ALA A 175 8.510 9.372 0.111 1.00 15.00 C ATOM 0 H ALA A 175 9.244 6.981 -0.278 1.00 15.00 H new ATOM 0 HA ALA A 175 6.885 8.239 0.905 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.936 10.296 0.045 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.062 9.354 1.051 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.211 9.320 -0.722 1.00 15.00 H new ATOM 88 N GLY A 176 5.541 8.772 -1.124 1.00 15.00 N ATOM 89 CA GLY A 176 4.606 8.729 -2.231 1.00 15.00 C ATOM 90 C GLY A 176 3.854 7.415 -2.260 1.00 15.00 C ATOM 91 O GLY A 176 3.201 7.071 -3.250 1.00 15.00 O ATOM 0 H GLY A 176 5.197 9.254 -0.293 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.899 9.554 -2.146 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.143 8.865 -3.170 1.00 15.00 H new ATOM 95 N TRP A 177 3.933 6.694 -1.150 1.00 15.00 N ATOM 96 CA TRP A 177 3.287 5.400 -1.013 1.00 15.00 C ATOM 97 C TRP A 177 2.340 5.410 0.178 1.00 15.00 C ATOM 98 O TRP A 177 2.616 6.039 1.200 1.00 15.00 O ATOM 99 CB TRP A 177 4.332 4.294 -0.828 1.00 15.00 C ATOM 100 CG TRP A 177 5.159 4.016 -2.049 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.195 4.764 -2.526 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.031 2.898 -2.934 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.709 4.187 -3.663 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.011 3.039 -3.934 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.179 1.791 -2.981 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.162 2.116 -4.967 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.332 0.876 -4.005 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.314 1.043 -4.985 1.00 15.00 C ATOM 0 H TRP A 177 4.447 6.991 -0.321 1.00 15.00 H new ATOM 0 HA TRP A 177 2.720 5.202 -1.923 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.996 4.571 -0.009 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.824 3.376 -0.531 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.558 5.676 -2.076 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.484 4.554 -4.215 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.415 1.653 -2.230 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 6.920 2.243 -5.725 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.681 0.016 -4.049 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.405 0.310 -5.773 1.00 15.00 H new ATOM 119 N GLU A 178 1.229 4.707 0.041 1.00 15.00 N ATOM 120 CA GLU A 178 0.279 4.554 1.132 1.00 15.00 C ATOM 121 C GLU A 178 0.612 3.284 1.901 1.00 15.00 C ATOM 122 O GLU A 178 0.503 2.181 1.365 1.00 15.00 O ATOM 123 CB GLU A 178 -1.149 4.491 0.589 1.00 15.00 C ATOM 124 CG GLU A 178 -2.225 4.520 1.659 1.00 15.00 C ATOM 125 CD GLU A 178 -2.208 5.806 2.455 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.570 6.861 1.892 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.827 5.769 3.640 1.00 15.00 O1- ATOM 0 H GLU A 178 0.961 4.230 -0.820 1.00 15.00 H new ATOM 0 HA GLU A 178 0.348 5.413 1.800 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.305 5.330 -0.089 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.262 3.580 0.001 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.202 4.397 1.192 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.086 3.676 2.334 1.00 15.00 H new ATOM 134 N MET A 179 1.033 3.445 3.144 1.00 15.00 N ATOM 135 CA MET A 179 1.526 2.324 3.926 1.00 15.00 C ATOM 136 C MET A 179 0.491 1.889 4.950 1.00 15.00 C ATOM 137 O MET A 179 0.278 2.579 5.948 1.00 15.00 O ATOM 138 CB MET A 179 2.828 2.704 4.647 1.00 15.00 C ATOM 139 CG MET A 179 3.739 3.624 3.844 1.00 15.00 C ATOM 140 SD MET A 179 4.185 2.952 2.232 1.00 15.00 S ATOM 141 CE MET A 179 5.234 1.587 2.707 1.00 15.00 C ATOM 0 H MET A 179 1.043 4.340 3.633 1.00 15.00 H new ATOM 0 HA MET A 179 1.721 1.497 3.243 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.580 3.190 5.591 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.374 1.793 4.892 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.243 4.585 3.705 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.648 3.814 4.415 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.574 1.062 1.814 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.096 1.965 3.256 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.673 0.900 3.340 1.00 15.00 H new ATOM 151 N ALA A 180 -0.172 0.765 4.706 1.00 15.00 N ATOM 152 CA ALA A 180 -1.117 0.248 5.683 1.00 15.00 C ATOM 153 C ALA A 180 -1.060 -1.268 5.745 1.00 15.00 C ATOM 154 O ALA A 180 -1.191 -1.954 4.728 1.00 15.00 O ATOM 155 CB ALA A 180 -2.530 0.718 5.385 1.00 15.00 C ATOM 0 H ALA A 180 -0.075 0.206 3.859 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.830 0.641 6.658 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.213 0.315 6.133 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.564 1.807 5.412 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.828 0.370 4.396 1.00 15.00 H new ATOM 161 N LYS A 181 -0.836 -1.779 6.937 1.00 15.00 N ATOM 162 CA LYS A 181 -0.760 -3.209 7.156 1.00 15.00 C ATOM 163 C LYS A 181 -1.889 -3.636 8.082 1.00 15.00 C ATOM 164 O LYS A 181 -1.853 -3.367 9.284 1.00 15.00 O ATOM 165 CB LYS A 181 0.607 -3.561 7.750 1.00 15.00 C ATOM 166 CG LYS A 181 1.767 -3.084 6.886 1.00 15.00 C ATOM 167 CD LYS A 181 3.027 -2.847 7.702 1.00 15.00 C ATOM 168 CE LYS A 181 4.139 -2.239 6.855 1.00 15.00 C ATOM 169 NZ LYS A 181 4.721 -3.222 5.901 1.00 15.00 N1+ ATOM 0 H LYS A 181 -0.702 -1.218 7.778 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.870 -3.742 6.211 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.692 -3.117 8.742 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.675 -4.641 7.878 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.971 -3.824 6.112 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.485 -2.161 6.379 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.801 -2.184 8.537 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.368 -3.791 8.128 1.00 15.00 H new ATOM 0 HE2 LYS A 181 3.746 -1.386 6.301 1.00 15.00 H new ATOM 0 HE3 LYS A 181 4.925 -1.860 7.508 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.728 -3.363 6.119 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.218 -4.128 5.986 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 4.624 -2.863 4.930 1.00 15.00 H new ATOM 183 N THR A 182 -2.905 -4.273 7.520 1.00 15.00 N ATOM 184 CA THR A 182 -4.095 -4.605 8.288 1.00 15.00 C ATOM 185 C THR A 182 -3.964 -5.975 8.943 1.00 15.00 C ATOM 186 O THR A 182 -3.292 -6.872 8.420 1.00 15.00 O ATOM 187 CB THR A 182 -5.384 -4.532 7.429 1.00 15.00 C ATOM 188 OG1 THR A 182 -6.503 -5.050 8.157 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.235 -5.287 6.118 1.00 15.00 C ATOM 0 H THR A 182 -2.930 -4.568 6.544 1.00 15.00 H new ATOM 0 HA THR A 182 -4.183 -3.854 9.073 1.00 15.00 H new ATOM 0 HB THR A 182 -5.556 -3.481 7.197 1.00 15.00 H new ATOM 0 HG1 THR A 182 -7.308 -4.995 7.601 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.160 -5.211 5.547 1.00 15.00 H new ATOM 0 HG22 THR A 182 -4.416 -4.857 5.541 1.00 15.00 H new ATOM 0 HG23 THR A 182 -5.022 -6.336 6.324 1.00 15.00 H new ATOM 197 N SER A 183 -4.625 -6.117 10.091 1.00 15.00 N ATOM 198 CA SER A 183 -4.521 -7.301 10.936 1.00 15.00 C ATOM 199 C SER A 183 -4.994 -8.565 10.216 1.00 15.00 C ATOM 200 O SER A 183 -4.749 -9.678 10.675 1.00 15.00 O ATOM 201 CB SER A 183 -5.328 -7.079 12.214 1.00 15.00 C ATOM 202 OG SER A 183 -5.000 -5.827 12.803 1.00 15.00 O ATOM 0 H SER A 183 -5.254 -5.405 10.462 1.00 15.00 H new ATOM 0 HA SER A 183 -3.470 -7.452 11.183 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.394 -7.112 11.988 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.127 -7.883 12.922 1.00 15.00 H new ATOM 0 HG SER A 183 -5.528 -5.701 13.619 1.00 15.00 H new ATOM 208 N SER A 184 -5.689 -8.380 9.099 1.00 15.00 N ATOM 209 CA SER A 184 -6.104 -9.489 8.249 1.00 15.00 C ATOM 210 C SER A 184 -4.885 -10.218 7.676 1.00 15.00 C ATOM 211 O SER A 184 -4.997 -11.328 7.154 1.00 15.00 O ATOM 212 CB SER A 184 -6.981 -8.966 7.113 1.00 15.00 C ATOM 213 OG SER A 184 -7.964 -8.071 7.608 1.00 15.00 O ATOM 0 H SER A 184 -5.979 -7.463 8.759 1.00 15.00 H new ATOM 0 HA SER A 184 -6.675 -10.196 8.851 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.362 -8.460 6.373 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.465 -9.801 6.607 1.00 15.00 H new ATOM 0 HG SER A 184 -8.514 -7.746 6.865 1.00 15.00 H new ATOM 219 N GLY A 185 -3.723 -9.579 7.776 1.00 15.00 N ATOM 220 CA GLY A 185 -2.516 -10.113 7.184 1.00 15.00 C ATOM 221 C GLY A 185 -2.333 -9.621 5.770 1.00 15.00 C ATOM 222 O GLY A 185 -1.668 -10.259 4.952 1.00 15.00 O ATOM 0 H GLY A 185 -3.599 -8.691 8.263 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.655 -9.824 7.786 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.557 -11.202 7.190 1.00 15.00 H new ATOM 226 N GLN A 186 -2.926 -8.469 5.488 1.00 15.00 N ATOM 227 CA GLN A 186 -2.817 -7.856 4.176 1.00 15.00 C ATOM 228 C GLN A 186 -1.885 -6.659 4.240 1.00 15.00 C ATOM 229 O GLN A 186 -2.237 -5.605 4.776 1.00 15.00 O ATOM 230 CB GLN A 186 -4.187 -7.423 3.646 1.00 15.00 C ATOM 231 CG GLN A 186 -5.158 -8.572 3.446 1.00 15.00 C ATOM 232 CD GLN A 186 -6.545 -8.097 3.053 1.00 15.00 C ATOM 233 OE1 GLN A 186 -7.381 -7.814 3.910 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.803 -8.014 1.756 1.00 15.00 N ATOM 0 H GLN A 186 -3.489 -7.940 6.154 1.00 15.00 H new ATOM 0 HA GLN A 186 -2.410 -8.599 3.490 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.625 -6.706 4.341 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -4.052 -6.905 2.697 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.773 -9.239 2.674 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -5.223 -9.153 4.366 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.083 -8.258 1.076 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.722 -7.706 1.437 1.00 15.00 H new ATOM 243 N ARG A 187 -0.682 -6.845 3.731 1.00 15.00 N ATOM 244 CA ARG A 187 0.298 -5.778 3.673 1.00 15.00 C ATOM 245 C ARG A 187 0.276 -5.135 2.292 1.00 15.00 C ATOM 246 O ARG A 187 0.897 -5.629 1.359 1.00 15.00 O ATOM 247 CB ARG A 187 1.695 -6.316 4.014 1.00 15.00 C ATOM 248 CG ARG A 187 2.040 -7.611 3.290 1.00 15.00 C ATOM 249 CD ARG A 187 3.275 -8.280 3.872 1.00 15.00 C ATOM 250 NE ARG A 187 4.502 -7.523 3.628 1.00 15.00 N ATOM 251 CZ ARG A 187 5.725 -8.025 3.812 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.872 -9.268 4.259 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.796 -7.283 3.564 1.00 15.00 N ATOM 0 H ARG A 187 -0.358 -7.733 3.349 1.00 15.00 H new ATOM 0 HA ARG A 187 0.046 -5.017 4.411 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.438 -5.559 3.763 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.759 -6.482 5.089 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.194 -8.296 3.351 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.206 -7.402 2.233 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.141 -8.407 4.946 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.378 -9.277 3.443 1.00 15.00 H new ATOM 0 HE ARG A 187 4.419 -6.561 3.300 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.050 -9.838 4.461 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.806 -9.652 4.400 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.687 -6.325 3.231 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.729 -7.670 3.706 1.00 15.00 H new ATOM 267 N TYR A 188 -0.485 -4.060 2.152 1.00 15.00 N ATOM 268 CA TYR A 188 -0.646 -3.419 0.857 1.00 15.00 C ATOM 269 C TYR A 188 -0.047 -2.020 0.868 1.00 15.00 C ATOM 270 O TYR A 188 -0.006 -1.337 1.912 1.00 15.00 O ATOM 271 CB TYR A 188 -2.128 -3.376 0.451 1.00 15.00 C ATOM 272 CG TYR A 188 -3.014 -2.644 1.430 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.951 -1.264 1.560 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.912 -3.336 2.229 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.743 -0.597 2.463 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.717 -2.670 3.135 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.624 -1.305 3.251 1.00 15.00 C ATOM 278 OH TYR A 188 -5.413 -0.647 4.167 1.00 15.00 O ATOM 0 H TYR A 188 -0.997 -3.616 2.914 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.109 -4.011 0.116 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.212 -2.899 -0.526 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.493 -4.397 0.340 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.267 -0.704 0.940 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.984 -4.410 2.142 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.675 0.477 2.555 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.415 -3.221 3.748 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.977 -1.295 4.638 1.00 15.00 H new ATOM 288 N PHE A 189 0.419 -1.604 -0.295 1.00 15.00 N ATOM 289 CA PHE A 189 1.021 -0.299 -0.462 1.00 15.00 C ATOM 290 C PHE A 189 0.460 0.371 -1.709 1.00 15.00 C ATOM 291 O PHE A 189 0.472 -0.208 -2.794 1.00 15.00 O ATOM 292 CB PHE A 189 2.539 -0.442 -0.576 1.00 15.00 C ATOM 293 CG PHE A 189 3.138 -1.305 0.497 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.330 -0.810 1.773 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.495 -2.616 0.232 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.871 -1.601 2.769 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.034 -3.412 1.220 1.00 15.00 C ATOM 298 CZ PHE A 189 4.222 -2.905 2.491 1.00 15.00 C ATOM 0 H PHE A 189 0.390 -2.162 -1.148 1.00 15.00 H new ATOM 0 HA PHE A 189 0.789 0.320 0.405 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.785 -0.864 -1.551 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.994 0.547 -0.533 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.053 0.210 1.995 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.350 -3.019 -0.759 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.018 -1.199 3.761 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.309 -4.433 1.000 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.643 -3.529 3.266 1.00 15.00 H new ATOM 308 N LEU A 190 -0.044 1.580 -1.556 1.00 15.00 N ATOM 309 CA LEU A 190 -0.552 2.335 -2.693 1.00 15.00 C ATOM 310 C LEU A 190 0.556 3.169 -3.311 1.00 15.00 C ATOM 311 O LEU A 190 1.357 3.754 -2.589 1.00 15.00 O ATOM 312 CB LEU A 190 -1.639 3.317 -2.267 1.00 15.00 C ATOM 313 CG LEU A 190 -3.080 2.828 -2.235 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.991 3.989 -2.599 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.297 1.651 -3.175 1.00 15.00 C ATOM 0 H LEU A 190 -0.114 2.062 -0.660 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.948 1.605 -3.399 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.388 3.679 -1.270 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.594 4.175 -2.938 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.314 2.472 -1.232 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.029 3.657 -2.581 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.856 4.797 -1.880 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.742 4.348 -3.598 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.338 1.331 -3.123 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.060 1.952 -4.196 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.649 0.826 -2.880 1.00 15.00 H new ATOM 327 N ASN A 191 0.576 3.276 -4.628 1.00 15.00 N ATOM 328 CA ASN A 191 1.381 4.297 -5.259 1.00 15.00 C ATOM 329 C ASN A 191 0.516 5.530 -5.397 1.00 15.00 C ATOM 330 O ASN A 191 -0.296 5.610 -6.322 1.00 15.00 O ATOM 331 CB ASN A 191 1.893 3.898 -6.652 1.00 15.00 C ATOM 332 CG ASN A 191 2.666 2.597 -6.685 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.323 1.632 -6.005 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.718 2.562 -7.489 1.00 15.00 N ATOM 0 H ASN A 191 0.053 2.679 -5.268 1.00 15.00 H new ATOM 0 HA ASN A 191 2.261 4.464 -4.638 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.043 3.819 -7.329 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.531 4.695 -7.033 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.277 1.712 -7.561 1.00 15.00 H new ATOM 0 HD22 ASN A 191 3.969 3.385 -8.037 1.00 15.00 H new ATOM 341 N HIS A 192 0.653 6.468 -4.457 1.00 15.00 N ATOM 342 CA HIS A 192 -0.151 7.691 -4.472 1.00 15.00 C ATOM 343 C HIS A 192 0.258 8.577 -5.643 1.00 15.00 C ATOM 344 O HIS A 192 -0.375 9.590 -5.927 1.00 15.00 O ATOM 345 CB HIS A 192 -0.010 8.467 -3.158 1.00 15.00 C ATOM 346 CG HIS A 192 -1.160 8.275 -2.207 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.310 9.035 -2.251 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.331 7.412 -1.178 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.133 8.643 -1.296 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.567 7.664 -0.627 1.00 15.00 N ATOM 0 H HIS A 192 1.310 6.404 -3.679 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.196 7.402 -4.586 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.912 8.160 -2.664 1.00 15.00 H new ATOM 0 HB3 HIS A 192 0.088 9.529 -3.384 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.626 6.663 -0.849 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.110 9.058 -1.097 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.975 7.173 0.168 1.00 15.00 H new ATOM 359 N ILE A 193 1.345 8.194 -6.294 1.00 15.00 N ATOM 360 CA ILE A 193 1.828 8.887 -7.476 1.00 15.00 C ATOM 361 C ILE A 193 1.319 8.193 -8.738 1.00 15.00 C ATOM 362 O ILE A 193 0.722 8.823 -9.613 1.00 15.00 O ATOM 363 CB ILE A 193 3.370 8.914 -7.501 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.912 9.449 -6.173 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.870 9.760 -8.666 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.410 9.289 -6.021 1.00 15.00 C ATOM 0 H ILE A 193 1.916 7.395 -6.018 1.00 15.00 H new ATOM 0 HA ILE A 193 1.454 9.910 -7.444 1.00 15.00 H new ATOM 0 HB ILE A 193 3.735 7.896 -7.638 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.657 10.505 -6.085 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.415 8.932 -5.352 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.960 9.768 -8.668 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.508 9.338 -9.604 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.500 10.780 -8.560 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.723 9.690 -5.057 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.670 8.232 -6.076 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.917 9.830 -6.820 1.00 15.00 H new ATOM 378 N ASP A 194 1.526 6.879 -8.803 1.00 15.00 N ATOM 379 CA ASP A 194 1.200 6.100 -10.000 1.00 15.00 C ATOM 380 C ASP A 194 -0.286 5.788 -10.104 1.00 15.00 C ATOM 381 O ASP A 194 -0.753 5.369 -11.164 1.00 15.00 O ATOM 382 CB ASP A 194 1.974 4.781 -10.019 1.00 15.00 C ATOM 383 CG ASP A 194 3.466 4.968 -10.146 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.948 5.138 -11.286 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.164 4.932 -9.111 1.00 15.00 O1- ATOM 0 H ASP A 194 1.919 6.329 -8.039 1.00 15.00 H new ATOM 0 HA ASP A 194 1.486 6.719 -10.851 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.760 4.229 -9.104 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.619 4.171 -10.850 1.00 15.00 H new ATOM 390 N GLN A 195 -1.015 5.963 -9.000 1.00 15.00 N ATOM 391 CA GLN A 195 -2.440 5.625 -8.948 1.00 15.00 C ATOM 392 C GLN A 195 -2.613 4.115 -9.105 1.00 15.00 C ATOM 393 O GLN A 195 -3.540 3.632 -9.759 1.00 15.00 O ATOM 394 CB GLN A 195 -3.213 6.404 -10.032 1.00 15.00 C ATOM 395 CG GLN A 195 -4.726 6.221 -9.985 1.00 15.00 C ATOM 396 CD GLN A 195 -5.465 7.146 -10.930 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.010 8.256 -11.216 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.616 6.703 -11.410 1.00 15.00 N ATOM 0 H GLN A 195 -0.642 6.338 -8.128 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.852 5.915 -7.981 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.985 7.465 -9.931 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.852 6.092 -11.012 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.969 5.188 -10.233 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.076 6.395 -8.968 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.956 5.778 -11.147 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.163 7.287 -12.043 1.00 15.00 H new ATOM 407 N THR A 196 -1.728 3.365 -8.464 1.00 15.00 N ATOM 408 CA THR A 196 -1.751 1.912 -8.568 1.00 15.00 C ATOM 409 C THR A 196 -1.720 1.255 -7.194 1.00 15.00 C ATOM 410 O THR A 196 -1.171 1.808 -6.240 1.00 15.00 O ATOM 411 CB THR A 196 -0.564 1.389 -9.403 1.00 15.00 C ATOM 412 OG1 THR A 196 0.660 1.928 -8.898 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.712 1.758 -10.871 1.00 15.00 C ATOM 0 H THR A 196 -0.988 3.736 -7.869 1.00 15.00 H new ATOM 0 HA THR A 196 -2.683 1.649 -9.068 1.00 15.00 H new ATOM 0 HB THR A 196 -0.552 0.302 -9.323 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.410 1.591 -9.431 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.141 1.374 -11.430 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.630 1.322 -11.265 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.753 2.843 -10.971 1.00 15.00 H new ATOM 421 N THR A 197 -2.329 0.083 -7.102 1.00 15.00 N ATOM 422 CA THR A 197 -2.334 -0.687 -5.872 1.00 15.00 C ATOM 423 C THR A 197 -1.261 -1.779 -5.922 1.00 15.00 C ATOM 424 O THR A 197 -1.165 -2.519 -6.906 1.00 15.00 O ATOM 425 CB THR A 197 -3.707 -1.339 -5.646 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.755 -0.412 -5.977 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.864 -1.779 -4.198 1.00 15.00 C ATOM 0 H THR A 197 -2.830 -0.357 -7.874 1.00 15.00 H new ATOM 0 HA THR A 197 -2.121 -0.006 -5.048 1.00 15.00 H new ATOM 0 HB THR A 197 -3.776 -2.215 -6.291 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.626 -0.837 -5.831 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.843 -2.238 -4.061 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.087 -2.502 -3.951 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.775 -0.913 -3.543 1.00 15.00 H new ATOM 435 N THR A 198 -0.465 -1.876 -4.866 1.00 15.00 N ATOM 436 CA THR A 198 0.634 -2.830 -4.814 1.00 15.00 C ATOM 437 C THR A 198 0.482 -3.797 -3.624 1.00 15.00 C ATOM 438 O THR A 198 0.350 -3.358 -2.481 1.00 15.00 O ATOM 439 CB THR A 198 1.973 -2.071 -4.702 1.00 15.00 C ATOM 440 OG1 THR A 198 2.105 -1.160 -5.801 1.00 15.00 O ATOM 441 CG2 THR A 198 3.162 -3.021 -4.688 1.00 15.00 C ATOM 0 H THR A 198 -0.561 -1.302 -4.029 1.00 15.00 H new ATOM 0 HA THR A 198 0.618 -3.419 -5.731 1.00 15.00 H new ATOM 0 HB THR A 198 1.967 -1.525 -3.759 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.151 -0.242 -5.461 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.085 -2.447 -4.608 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.079 -3.695 -3.836 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.174 -3.602 -5.610 1.00 15.00 H new ATOM 449 N TRP A 199 0.469 -5.110 -3.898 1.00 15.00 N ATOM 450 CA TRP A 199 0.427 -6.123 -2.835 1.00 15.00 C ATOM 451 C TRP A 199 1.818 -6.386 -2.254 1.00 15.00 C ATOM 452 O TRP A 199 1.960 -6.720 -1.081 1.00 15.00 O ATOM 453 CB TRP A 199 -0.099 -7.468 -3.352 1.00 15.00 C ATOM 454 CG TRP A 199 -1.588 -7.673 -3.346 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.332 -8.136 -4.391 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.515 -7.448 -2.272 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.640 -8.280 -4.021 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.778 -7.862 -2.735 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.417 -6.960 -0.962 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.909 -7.812 -1.951 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.571 -6.888 -0.197 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.800 -7.331 -0.710 1.00 15.00 C ATOM 0 H TRP A 199 0.487 -5.493 -4.843 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.239 -5.721 -2.072 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.256 -7.599 -4.374 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.353 -8.259 -2.754 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.942 -8.358 -5.373 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.389 -8.641 -4.612 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.465 -6.648 -0.558 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.861 -8.153 -2.330 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.524 -6.487 0.805 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.680 -7.282 -0.085 1.00 15.00 H new ATOM 473 N GLN A 200 2.833 -6.300 -3.100 1.00 15.00 N ATOM 474 CA GLN A 200 4.182 -6.706 -2.722 1.00 15.00 C ATOM 475 C GLN A 200 4.969 -5.538 -2.151 1.00 15.00 C ATOM 476 O GLN A 200 4.758 -4.396 -2.539 1.00 15.00 O ATOM 477 CB GLN A 200 4.897 -7.301 -3.930 1.00 15.00 C ATOM 478 CG GLN A 200 4.212 -8.547 -4.464 1.00 15.00 C ATOM 479 CD GLN A 200 4.846 -9.073 -5.731 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.753 -9.906 -5.689 1.00 15.00 O ATOM 481 NE2 GLN A 200 4.370 -8.592 -6.867 1.00 15.00 N ATOM 0 H GLN A 200 2.750 -5.952 -4.055 1.00 15.00 H new ATOM 0 HA GLN A 200 4.110 -7.464 -1.942 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.948 -6.553 -4.721 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.923 -7.545 -3.655 1.00 15.00 H new ATOM 0 HG2 GLN A 200 4.239 -9.325 -3.701 1.00 15.00 H new ATOM 0 HG3 GLN A 200 3.162 -8.324 -4.655 1.00 15.00 H new ATOM 0 HE21 GLN A 200 3.618 -7.903 -6.854 1.00 15.00 H new ATOM 0 HE22 GLN A 200 4.755 -8.910 -7.756 1.00 15.00 H new ATOM 490 N ASP A 201 5.896 -5.840 -1.249 1.00 15.00 N ATOM 491 CA ASP A 201 6.620 -4.805 -0.516 1.00 15.00 C ATOM 492 C ASP A 201 7.764 -4.227 -1.363 1.00 15.00 C ATOM 493 O ASP A 201 8.787 -4.880 -1.575 1.00 15.00 O ATOM 494 CB ASP A 201 7.157 -5.379 0.798 1.00 15.00 C ATOM 495 CG ASP A 201 7.254 -4.338 1.894 1.00 15.00 C ATOM 496 OD1 ASP A 201 7.619 -3.190 1.599 1.00 15.00 O ATOM 497 OD2 ASP A 201 6.953 -4.671 3.068 1.00 15.00 O1- ATOM 0 H ASP A 201 6.165 -6.794 -1.007 1.00 15.00 H new ATOM 0 HA ASP A 201 5.930 -3.991 -0.292 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.507 -6.189 1.128 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.142 -5.811 0.625 1.00 15.00 H new ATOM 502 N PRO A 202 7.583 -2.992 -1.867 1.00 15.00 N ATOM 503 CA PRO A 202 8.518 -2.336 -2.807 1.00 15.00 C ATOM 504 C PRO A 202 9.903 -2.018 -2.234 1.00 15.00 C ATOM 505 O PRO A 202 10.863 -1.837 -2.986 1.00 15.00 O ATOM 506 CB PRO A 202 7.800 -1.027 -3.163 1.00 15.00 C ATOM 507 CG PRO A 202 6.869 -0.786 -2.024 1.00 15.00 C ATOM 508 CD PRO A 202 6.414 -2.139 -1.587 1.00 15.00 C ATOM 0 HA PRO A 202 8.729 -3.001 -3.645 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.507 -0.206 -3.277 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.259 -1.115 -4.105 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.371 -0.259 -1.212 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.025 -0.168 -2.331 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.149 -2.153 -0.530 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.534 -2.467 -2.141 1.00 15.00 H new ATOM 609 N PRO B 207 -9.372 -8.837 -3.751 1.00 15.00 N ATOM 610 CA PRO B 207 -9.174 -7.447 -4.186 1.00 15.00 C ATOM 611 C PRO B 207 -8.896 -6.505 -3.020 1.00 15.00 C ATOM 612 O PRO B 207 -9.612 -6.506 -2.016 1.00 15.00 O ATOM 613 CB PRO B 207 -10.506 -7.100 -4.849 1.00 15.00 C ATOM 614 CG PRO B 207 -11.026 -8.401 -5.347 1.00 15.00 C ATOM 615 CD PRO B 207 -10.582 -9.434 -4.348 1.00 15.00 C ATOM 0 HA PRO B 207 -8.310 -7.342 -4.843 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.195 -6.643 -4.139 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.370 -6.389 -5.664 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.113 -8.381 -5.431 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.634 -8.624 -6.339 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.349 -9.622 -3.597 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.364 -10.388 -4.827 1.00 15.00 H new ATOM 623 N PRO B 208 -7.855 -5.674 -3.161 1.00 15.00 N ATOM 624 CA PRO B 208 -7.282 -4.861 -2.105 1.00 15.00 C ATOM 625 C PRO B 208 -7.956 -3.484 -2.067 1.00 15.00 C ATOM 626 O PRO B 208 -8.862 -3.214 -2.860 1.00 15.00 O ATOM 627 CB PRO B 208 -5.789 -4.766 -2.556 1.00 15.00 C ATOM 628 CG PRO B 208 -5.751 -5.446 -3.895 1.00 15.00 C ATOM 629 CD PRO B 208 -7.147 -5.350 -4.377 1.00 15.00 C ATOM 0 HA PRO B 208 -7.405 -5.265 -1.100 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.463 -3.729 -2.629 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.128 -5.258 -1.843 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.058 -4.952 -4.575 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.428 -6.483 -3.808 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.392 -4.355 -4.749 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.359 -6.053 -5.183 1.00 15.00 H new ATOM 637 N PRO B 209 -7.533 -2.605 -1.148 1.00 15.00 N ATOM 638 CA PRO B 209 -8.098 -1.255 -0.985 1.00 15.00 C ATOM 639 C PRO B 209 -8.222 -0.468 -2.286 1.00 15.00 C ATOM 640 O PRO B 209 -7.325 -0.494 -3.135 1.00 15.00 O ATOM 641 CB PRO B 209 -7.058 -0.542 -0.114 1.00 15.00 C ATOM 642 CG PRO B 209 -5.906 -1.478 -0.010 1.00 15.00 C ATOM 643 CD PRO B 209 -6.480 -2.844 -0.164 1.00 15.00 C ATOM 0 HA PRO B 209 -9.107 -1.321 -0.579 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.754 0.404 -0.563 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.465 -0.311 0.871 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.166 -1.275 -0.784 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.401 -1.372 0.950 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.741 -3.562 -0.519 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.875 -3.232 0.775 1.00 15.00 H new ATOM 651 N PRO B 210 -9.339 0.259 -2.437 1.00 15.00 N ATOM 652 CA PRO B 210 -9.512 1.229 -3.515 1.00 15.00 C ATOM 653 C PRO B 210 -8.488 2.353 -3.399 1.00 15.00 C ATOM 654 O PRO B 210 -8.159 2.798 -2.298 1.00 15.00 O ATOM 655 CB PRO B 210 -10.932 1.769 -3.299 1.00 15.00 C ATOM 656 CG PRO B 210 -11.604 0.756 -2.440 1.00 15.00 C ATOM 657 CD PRO B 210 -10.526 0.182 -1.572 1.00 15.00 C ATOM 0 HA PRO B 210 -9.372 0.790 -4.503 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.913 2.746 -2.816 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.456 1.892 -4.247 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.390 1.212 -1.838 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.075 -0.020 -3.044 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.396 0.756 -0.655 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.747 -0.844 -1.278 1.00 15.00 H new ATOM 665 N TYR B 211 -8.021 2.829 -4.538 1.00 15.00 N ATOM 666 CA TYR B 211 -6.943 3.804 -4.587 1.00 15.00 C ATOM 667 C TYR B 211 -7.386 5.206 -4.142 1.00 15.00 C ATOM 668 O TYR B 211 -6.541 6.069 -3.895 1.00 15.00 O ATOM 669 CB TYR B 211 -6.323 3.858 -5.999 1.00 15.00 C ATOM 670 CG TYR B 211 -5.390 5.033 -6.192 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.077 4.971 -5.758 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.837 6.220 -6.767 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.234 6.051 -5.886 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.994 7.305 -6.906 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.695 7.215 -6.460 1.00 15.00 C ATOM 676 OH TYR B 211 -2.851 8.291 -6.592 1.00 15.00 O ATOM 0 H TYR B 211 -8.376 2.553 -5.454 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.188 3.471 -3.875 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.777 2.933 -6.185 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.122 3.911 -6.739 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.708 4.060 -5.311 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.859 6.293 -7.109 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.214 5.986 -5.537 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.351 8.217 -7.361 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.330 9.032 -7.017 1.00 15.00 H new ATOM 686 N SER B 212 -8.687 5.418 -3.957 1.00 15.00 N ATOM 687 CA SER B 212 -9.247 6.764 -4.047 1.00 15.00 C ATOM 688 C SER B 212 -8.612 7.724 -3.034 1.00 15.00 C ATOM 689 O SER B 212 -7.856 8.612 -3.443 1.00 15.00 O ATOM 690 CB SER B 212 -10.758 6.688 -3.817 1.00 15.00 C ATOM 691 OG SER B 212 -11.335 5.637 -4.577 1.00 15.00 O ATOM 0 H SER B 212 -9.365 4.686 -3.747 1.00 15.00 H new ATOM 0 HA SER B 212 -9.031 7.157 -5.040 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.961 6.530 -2.758 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.220 7.636 -4.092 1.00 15.00 H new ATOM 0 HG SER B 212 -12.301 5.607 -4.413 1.00 15.00 H new ATOM 697 N ARG B 213 -8.868 7.588 -1.741 1.00 15.00 N ATOM 698 CA ARG B 213 -8.064 8.348 -0.796 1.00 15.00 C ATOM 699 C ARG B 213 -7.324 7.459 0.193 1.00 15.00 C ATOM 700 O ARG B 213 -6.104 7.303 0.111 1.00 15.00 O ATOM 701 CB ARG B 213 -8.931 9.368 -0.049 1.00 15.00 C ATOM 702 CG ARG B 213 -8.931 10.751 -0.677 1.00 15.00 C ATOM 703 CD ARG B 213 -7.514 11.286 -0.829 1.00 15.00 C ATOM 704 NE ARG B 213 -6.887 10.816 -2.067 1.00 15.00 N ATOM 705 CZ ARG B 213 -5.682 11.187 -2.489 1.00 15.00 C ATOM 706 NH1 ARG B 213 -4.931 11.997 -1.755 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -5.222 10.728 -3.645 1.00 15.00 N ATOM 0 H ARG B 213 -9.589 6.990 -1.336 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.309 8.875 -1.379 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.956 8.998 -0.007 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.578 9.446 0.979 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.414 10.710 -1.653 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.516 11.433 -0.060 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.534 12.376 -0.822 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -6.913 10.973 0.025 1.00 15.00 H new ATOM 0 HE ARG B 213 -7.411 10.159 -2.645 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -5.277 12.340 -0.859 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -4.008 12.276 -2.087 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -5.792 10.094 -4.205 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.298 11.009 -3.974 1.00 15.00 H new ATOM 721 N TYR B 214 -8.070 6.862 1.113 1.00 15.00 N ATOM 722 CA TYR B 214 -7.489 6.005 2.137 1.00 15.00 C ATOM 723 C TYR B 214 -8.065 4.597 2.073 1.00 15.00 C ATOM 724 O TYR B 214 -9.283 4.423 1.992 1.00 15.00 O ATOM 725 CB TYR B 214 -7.657 6.635 3.527 1.00 15.00 C ATOM 726 CG TYR B 214 -6.650 7.743 3.789 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.462 8.757 2.864 1.00 15.00 C ATOM 728 CD2 TYR B 214 -5.878 7.767 4.943 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.540 9.760 3.063 1.00 15.00 C ATOM 730 CE2 TYR B 214 -4.951 8.775 5.159 1.00 15.00 C ATOM 731 CZ TYR B 214 -4.785 9.767 4.214 1.00 15.00 C ATOM 732 OH TYR B 214 -3.855 10.765 4.416 1.00 15.00 O ATOM 0 H TYR B 214 -9.084 6.957 1.171 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.420 5.916 1.944 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.666 7.036 3.621 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.549 5.862 4.288 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.055 8.761 1.962 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.001 6.990 5.683 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.410 10.535 2.322 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.361 8.784 6.063 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.408 10.626 5.277 1.00 15.00 H new ATOM 742 N PRO B 215 -7.195 3.582 2.116 1.00 15.00 N ATOM 743 CA PRO B 215 -7.605 2.173 2.066 1.00 15.00 C ATOM 744 C PRO B 215 -8.518 1.748 3.211 1.00 15.00 C ATOM 745 O PRO B 215 -9.709 1.509 3.013 1.00 15.00 O ATOM 746 CB PRO B 215 -6.277 1.420 2.170 1.00 15.00 C ATOM 747 CG PRO B 215 -5.258 2.386 1.701 1.00 15.00 C ATOM 748 CD PRO B 215 -5.733 3.725 2.173 1.00 15.00 C ATOM 0 HA PRO B 215 -8.185 1.973 1.165 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.081 1.104 3.194 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.283 0.521 1.554 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.276 2.151 2.111 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.165 2.363 0.615 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.386 3.946 3.182 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.379 4.531 1.530 1.00 15.00 H new