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= 0.364 K(o=0.95,f=-5.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 122:sc= 0.586 USER MOD Set 2.1: A 182 THR OG1 : rot -61:sc= -1.59! USER MOD Set 2.2: A 186 GLN : amide:sc= -1.79! K(o=-3.4!,f=-1.7) USER MOD Single : A 179 MET CE :methyl 174:sc= -5.94! (180deg=-6.2!) USER MOD Single : A 181 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.263) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 188 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 192 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-5.7!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=-0.37) 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 : amide:sc= -0.904 K(o=-0.9,f=0) USER MOD Single : B 211 TYR OH : rot -5:sc= 0.301 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.158 3.381 5.855 1.00 15.00 N ATOM 46 CA LEU A 173 8.027 3.670 4.985 1.00 15.00 C ATOM 47 C LEU A 173 8.458 4.624 3.872 1.00 15.00 C ATOM 48 O LEU A 173 8.799 5.777 4.140 1.00 15.00 O ATOM 49 CB LEU A 173 6.869 4.293 5.779 1.00 15.00 C ATOM 50 CG LEU A 173 6.277 3.430 6.899 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.245 4.222 7.686 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.649 2.162 6.337 1.00 15.00 C ATOM 0 HA LEU A 173 7.683 2.732 4.549 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.217 5.229 6.215 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.070 4.544 5.081 1.00 15.00 H new ATOM 0 HG LEU A 173 7.087 3.141 7.568 1.00 15.00 H new ATOM 0 HD11 LEU A 173 4.833 3.597 8.478 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.718 5.100 8.126 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.443 4.538 7.019 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.237 1.568 7.153 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.852 2.428 5.643 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.408 1.581 5.813 1.00 15.00 H new ATOM 64 N PRO A 174 8.500 4.133 2.624 1.00 15.00 N ATOM 65 CA PRO A 174 8.830 4.953 1.446 1.00 15.00 C ATOM 66 C PRO A 174 7.893 6.150 1.277 1.00 15.00 C ATOM 67 O PRO A 174 6.712 6.089 1.625 1.00 15.00 O ATOM 68 CB PRO A 174 8.659 3.979 0.276 1.00 15.00 C ATOM 69 CG PRO A 174 8.826 2.630 0.877 1.00 15.00 C ATOM 70 CD PRO A 174 8.257 2.729 2.262 1.00 15.00 C ATOM 0 HA PRO A 174 9.828 5.384 1.524 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.679 4.087 -0.188 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.401 4.160 -0.501 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.303 1.873 0.292 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.877 2.341 0.905 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.194 2.487 2.279 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.752 2.044 2.951 1.00 15.00 H new ATOM 78 N ALA A 175 8.420 7.225 0.707 1.00 15.00 N ATOM 79 CA ALA A 175 7.660 8.456 0.537 1.00 15.00 C ATOM 80 C ALA A 175 6.919 8.469 -0.797 1.00 15.00 C ATOM 81 O ALA A 175 7.448 8.026 -1.821 1.00 15.00 O ATOM 82 CB ALA A 175 8.581 9.660 0.645 1.00 15.00 C ATOM 0 H ALA A 175 9.376 7.269 0.353 1.00 15.00 H new ATOM 0 HA ALA A 175 6.916 8.507 1.332 1.00 15.00 H new ATOM 0 HB1 ALA A 175 8.001 10.574 0.516 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.057 9.667 1.626 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.346 9.603 -0.129 1.00 15.00 H new ATOM 88 N GLY A 176 5.699 9.000 -0.776 1.00 15.00 N ATOM 89 CA GLY A 176 4.854 9.004 -1.958 1.00 15.00 C ATOM 90 C GLY A 176 3.996 7.761 -2.028 1.00 15.00 C ATOM 91 O GLY A 176 3.395 7.454 -3.062 1.00 15.00 O ATOM 0 H GLY A 176 5.278 9.431 0.047 1.00 15.00 H new ATOM 0 HA2 GLY A 176 4.216 9.888 -1.948 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.476 9.070 -2.851 1.00 15.00 H new ATOM 95 N TRP A 177 3.917 7.060 -0.908 1.00 15.00 N ATOM 96 CA TRP A 177 3.175 5.816 -0.828 1.00 15.00 C ATOM 97 C TRP A 177 2.079 5.914 0.226 1.00 15.00 C ATOM 98 O TRP A 177 2.009 6.887 0.982 1.00 15.00 O ATOM 99 CB TRP A 177 4.115 4.653 -0.492 1.00 15.00 C ATOM 100 CG TRP A 177 5.131 4.361 -1.555 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.236 5.098 -1.856 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.144 3.241 -2.447 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.925 4.519 -2.890 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.276 3.376 -3.270 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.304 2.141 -2.632 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.590 2.452 -4.262 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.616 1.224 -3.615 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.750 1.385 -4.421 1.00 15.00 C ATOM 0 H TRP A 177 4.364 7.337 -0.034 1.00 15.00 H new ATOM 0 HA TRP A 177 2.715 5.631 -1.799 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.634 4.877 0.440 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.519 3.757 -0.318 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.528 6.008 -1.352 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.782 4.881 -3.308 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.426 2.010 -2.017 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.465 2.573 -4.883 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.975 0.368 -3.765 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.965 0.651 -5.184 1.00 15.00 H new ATOM 119 N GLU A 178 1.216 4.913 0.250 1.00 15.00 N ATOM 120 CA GLU A 178 0.184 4.806 1.265 1.00 15.00 C ATOM 121 C GLU A 178 0.399 3.519 2.042 1.00 15.00 C ATOM 122 O GLU A 178 0.292 2.428 1.483 1.00 15.00 O ATOM 123 CB GLU A 178 -1.203 4.820 0.626 1.00 15.00 C ATOM 124 CG GLU A 178 -2.331 4.948 1.630 1.00 15.00 C ATOM 125 CD GLU A 178 -2.215 6.217 2.446 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.761 7.253 2.015 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.551 6.191 3.503 1.00 15.00 O1- ATOM 0 H GLU A 178 1.211 4.154 -0.432 1.00 15.00 H new ATOM 0 HA GLU A 178 0.246 5.659 1.941 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.260 5.648 -0.080 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.340 3.903 0.053 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.287 4.939 1.106 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.324 4.085 2.296 1.00 15.00 H new ATOM 134 N MET A 179 0.712 3.649 3.320 1.00 15.00 N ATOM 135 CA MET A 179 1.179 2.516 4.099 1.00 15.00 C ATOM 136 C MET A 179 0.126 2.063 5.098 1.00 15.00 C ATOM 137 O MET A 179 -0.218 2.806 6.020 1.00 15.00 O ATOM 138 CB MET A 179 2.460 2.894 4.856 1.00 15.00 C ATOM 139 CG MET A 179 3.322 3.932 4.147 1.00 15.00 C ATOM 140 SD MET A 179 3.893 3.399 2.521 1.00 15.00 S ATOM 141 CE MET A 179 5.053 2.117 2.969 1.00 15.00 C ATOM 0 H MET A 179 0.651 4.525 3.839 1.00 15.00 H new ATOM 0 HA MET A 179 1.381 1.697 3.409 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.188 3.275 5.840 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.053 1.994 5.016 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.752 4.855 4.039 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.186 4.162 4.770 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.410 1.619 2.068 1.00 15.00 H new ATOM 0 HE2 MET A 179 5.897 2.559 3.498 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.560 1.390 3.615 1.00 15.00 H new ATOM 151 N ALA A 180 -0.396 0.854 4.917 1.00 15.00 N ATOM 152 CA ALA A 180 -1.288 0.266 5.913 1.00 15.00 C ATOM 153 C ALA A 180 -1.176 -1.252 5.917 1.00 15.00 C ATOM 154 O ALA A 180 -1.147 -1.889 4.862 1.00 15.00 O ATOM 155 CB ALA A 180 -2.728 0.703 5.698 1.00 15.00 C ATOM 0 H ALA A 180 -0.221 0.268 4.101 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.975 0.632 6.891 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.364 0.247 6.457 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.794 1.788 5.774 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -3.060 0.388 4.709 1.00 15.00 H new ATOM 161 N LYS A 181 -1.101 -1.825 7.106 1.00 15.00 N ATOM 162 CA LYS A 181 -0.925 -3.259 7.252 1.00 15.00 C ATOM 163 C LYS A 181 -2.127 -3.862 7.976 1.00 15.00 C ATOM 164 O LYS A 181 -2.430 -3.484 9.105 1.00 15.00 O ATOM 165 CB LYS A 181 0.359 -3.544 8.033 1.00 15.00 C ATOM 166 CG LYS A 181 1.519 -2.633 7.653 1.00 15.00 C ATOM 167 CD LYS A 181 2.779 -2.971 8.431 1.00 15.00 C ATOM 168 CE LYS A 181 3.834 -1.878 8.312 1.00 15.00 C ATOM 169 NZ LYS A 181 3.416 -0.618 8.986 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.160 -1.316 7.988 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.848 -3.713 6.264 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.157 -3.436 9.099 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.653 -4.581 7.867 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.716 -2.722 6.585 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.243 -1.595 7.841 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.528 -3.119 9.481 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.189 -3.912 8.065 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.769 -2.229 8.749 1.00 15.00 H new ATOM 0 HE3 LYS A 181 4.030 -1.677 7.259 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.250 -0.019 9.150 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 2.738 -0.110 8.383 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 2.967 -0.844 9.897 1.00 15.00 H new ATOM 183 N THR A 182 -2.814 -4.788 7.323 1.00 15.00 N ATOM 184 CA THR A 182 -3.998 -5.404 7.910 1.00 15.00 C ATOM 185 C THR A 182 -3.629 -6.666 8.689 1.00 15.00 C ATOM 186 O THR A 182 -2.806 -7.467 8.226 1.00 15.00 O ATOM 187 CB THR A 182 -5.039 -5.774 6.832 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.471 -6.706 5.912 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.511 -4.550 6.068 1.00 15.00 C ATOM 0 H THR A 182 -2.575 -5.129 6.392 1.00 15.00 H new ATOM 0 HA THR A 182 -4.432 -4.668 8.587 1.00 15.00 H new ATOM 0 HB THR A 182 -5.897 -6.217 7.338 1.00 15.00 H new ATOM 0 HG1 THR A 182 -3.698 -6.298 5.468 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.243 -4.849 5.318 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.969 -3.843 6.760 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.660 -4.077 5.577 1.00 15.00 H new ATOM 197 N SER A 183 -4.254 -6.847 9.857 1.00 15.00 N ATOM 198 CA SER A 183 -4.034 -8.026 10.697 1.00 15.00 C ATOM 199 C SER A 183 -4.462 -9.305 9.971 1.00 15.00 C ATOM 200 O SER A 183 -4.137 -10.414 10.389 1.00 15.00 O ATOM 201 CB SER A 183 -4.812 -7.877 12.004 1.00 15.00 C ATOM 202 OG SER A 183 -4.640 -6.576 12.542 1.00 15.00 O ATOM 0 H SER A 183 -4.924 -6.182 10.244 1.00 15.00 H new ATOM 0 HA SER A 183 -2.969 -8.103 10.915 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.871 -8.066 11.827 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.471 -8.622 12.723 1.00 15.00 H new ATOM 0 HG SER A 183 -5.146 -6.498 13.377 1.00 15.00 H new ATOM 208 N SER A 184 -5.217 -9.121 8.896 1.00 15.00 N ATOM 209 CA SER A 184 -5.609 -10.197 7.994 1.00 15.00 C ATOM 210 C SER A 184 -4.382 -10.830 7.333 1.00 15.00 C ATOM 211 O SER A 184 -4.467 -11.894 6.717 1.00 15.00 O ATOM 212 CB SER A 184 -6.567 -9.647 6.944 1.00 15.00 C ATOM 213 OG SER A 184 -7.536 -8.810 7.556 1.00 15.00 O ATOM 0 H SER A 184 -5.580 -8.208 8.622 1.00 15.00 H new ATOM 0 HA SER A 184 -6.112 -10.977 8.565 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.012 -9.084 6.193 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.061 -10.469 6.426 1.00 15.00 H new ATOM 0 HG SER A 184 -8.145 -8.461 6.872 1.00 15.00 H new ATOM 219 N GLY A 185 -3.251 -10.140 7.435 1.00 15.00 N ATOM 220 CA GLY A 185 -2.033 -10.581 6.794 1.00 15.00 C ATOM 221 C GLY A 185 -1.892 -10.017 5.401 1.00 15.00 C ATOM 222 O GLY A 185 -1.242 -10.605 4.540 1.00 15.00 O ATOM 0 H GLY A 185 -3.160 -9.270 7.960 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.176 -10.279 7.396 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.021 -11.670 6.747 1.00 15.00 H new ATOM 226 N GLN A 186 -2.490 -8.854 5.189 1.00 15.00 N ATOM 227 CA GLN A 186 -2.368 -8.158 3.917 1.00 15.00 C ATOM 228 C GLN A 186 -1.598 -6.866 4.103 1.00 15.00 C ATOM 229 O GLN A 186 -2.083 -5.925 4.738 1.00 15.00 O ATOM 230 CB GLN A 186 -3.735 -7.863 3.299 1.00 15.00 C ATOM 231 CG GLN A 186 -4.408 -9.089 2.715 1.00 15.00 C ATOM 232 CD GLN A 186 -5.876 -8.868 2.404 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.429 -9.483 1.493 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.521 -7.997 3.165 1.00 15.00 N ATOM 0 H GLN A 186 -3.064 -8.373 5.881 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.826 -8.812 3.234 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.384 -7.429 4.060 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.618 -7.114 2.516 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.889 -9.381 1.802 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.312 -9.918 3.416 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.027 -7.507 3.911 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.512 -7.816 3.005 1.00 15.00 H new ATOM 243 N ARG A 187 -0.387 -6.845 3.585 1.00 15.00 N ATOM 244 CA ARG A 187 0.433 -5.653 3.608 1.00 15.00 C ATOM 245 C ARG A 187 0.332 -4.959 2.252 1.00 15.00 C ATOM 246 O ARG A 187 0.804 -5.479 1.246 1.00 15.00 O ATOM 247 CB ARG A 187 1.890 -6.016 3.939 1.00 15.00 C ATOM 248 CG ARG A 187 2.504 -7.040 2.995 1.00 15.00 C ATOM 249 CD ARG A 187 3.827 -7.574 3.521 1.00 15.00 C ATOM 250 NE ARG A 187 4.831 -6.524 3.693 1.00 15.00 N ATOM 251 CZ ARG A 187 5.728 -6.519 4.679 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.683 -7.450 5.623 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.661 -5.581 4.731 1.00 15.00 N ATOM 0 H ARG A 187 0.054 -7.649 3.139 1.00 15.00 H new ATOM 0 HA ARG A 187 0.079 -4.973 4.382 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.494 -5.109 3.916 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.935 -6.403 4.957 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.808 -7.867 2.855 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.659 -6.585 2.017 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.659 -8.071 4.477 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.210 -8.328 2.833 1.00 15.00 H new ATOM 0 HE ARG A 187 4.845 -5.755 3.023 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.962 -8.171 5.595 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.370 -7.445 6.377 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.696 -4.856 4.014 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.344 -5.583 5.488 1.00 15.00 H new ATOM 267 N TYR A 188 -0.325 -3.813 2.202 1.00 15.00 N ATOM 268 CA TYR A 188 -0.509 -3.140 0.936 1.00 15.00 C ATOM 269 C TYR A 188 0.055 -1.738 0.984 1.00 15.00 C ATOM 270 O TYR A 188 0.076 -1.081 2.039 1.00 15.00 O ATOM 271 CB TYR A 188 -1.987 -3.124 0.521 1.00 15.00 C ATOM 272 CG TYR A 188 -2.917 -2.435 1.495 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.840 -1.067 1.717 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.883 -3.156 2.182 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.689 -0.439 2.599 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.742 -2.530 3.066 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.638 -1.176 3.274 1.00 15.00 C ATOM 278 OH TYR A 188 -5.488 -0.557 4.161 1.00 15.00 O ATOM 0 H TYR A 188 -0.732 -3.339 3.009 1.00 15.00 H new ATOM 0 HA TYR A 188 0.040 -3.701 0.179 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.071 -2.633 -0.448 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.322 -4.152 0.387 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.100 -0.485 1.188 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.965 -4.221 2.024 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.612 0.626 2.762 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.492 -3.103 3.591 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.096 -1.221 4.549 1.00 15.00 H new ATOM 288 N PHE A 189 0.504 -1.288 -0.169 1.00 15.00 N ATOM 289 CA PHE A 189 1.072 0.028 -0.306 1.00 15.00 C ATOM 290 C PHE A 189 0.545 0.673 -1.581 1.00 15.00 C ATOM 291 O PHE A 189 0.632 0.096 -2.663 1.00 15.00 O ATOM 292 CB PHE A 189 2.603 -0.070 -0.337 1.00 15.00 C ATOM 293 CG PHE A 189 3.169 -0.920 0.773 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.288 -0.422 2.060 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.563 -2.227 0.531 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.791 -1.205 3.083 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.063 -3.017 1.549 1.00 15.00 C ATOM 298 CZ PHE A 189 4.179 -2.505 2.827 1.00 15.00 C ATOM 0 H PHE A 189 0.484 -1.827 -1.035 1.00 15.00 H new ATOM 0 HA PHE A 189 0.785 0.646 0.544 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.914 -0.483 -1.296 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.026 0.932 -0.269 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.983 0.593 2.268 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.478 -2.633 -0.466 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.880 -0.800 4.080 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.363 -4.034 1.345 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.572 -3.120 3.623 1.00 15.00 H new ATOM 308 N LEU A 190 -0.013 1.862 -1.452 1.00 15.00 N ATOM 309 CA LEU A 190 -0.493 2.597 -2.614 1.00 15.00 C ATOM 310 C LEU A 190 0.611 3.466 -3.174 1.00 15.00 C ATOM 311 O LEU A 190 1.355 4.080 -2.417 1.00 15.00 O ATOM 312 CB LEU A 190 -1.637 3.550 -2.260 1.00 15.00 C ATOM 313 CG LEU A 190 -3.068 3.035 -2.346 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.996 4.231 -2.492 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.249 2.088 -3.523 1.00 15.00 C ATOM 0 H LEU A 190 -0.146 2.340 -0.561 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.831 1.846 -3.328 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.472 3.901 -1.241 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.558 4.419 -2.913 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.302 2.476 -1.440 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.028 3.885 -2.556 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.885 4.885 -1.627 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.741 4.781 -3.398 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.281 1.740 -3.554 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.014 2.611 -4.450 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.581 1.234 -3.409 1.00 15.00 H new ATOM 327 N ASN A 191 0.699 3.569 -4.483 1.00 15.00 N ATOM 328 CA ASN A 191 1.484 4.625 -5.067 1.00 15.00 C ATOM 329 C ASN A 191 0.561 5.806 -5.251 1.00 15.00 C ATOM 330 O ASN A 191 -0.266 5.806 -6.171 1.00 15.00 O ATOM 331 CB ASN A 191 2.099 4.243 -6.417 1.00 15.00 C ATOM 332 CG ASN A 191 2.972 3.004 -6.371 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.674 2.040 -5.670 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.064 3.030 -7.116 1.00 15.00 N ATOM 0 H ASN A 191 0.244 2.945 -5.149 1.00 15.00 H new ATOM 0 HA ASN A 191 2.321 4.848 -4.405 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.297 4.083 -7.137 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.694 5.080 -6.783 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.696 2.229 -7.123 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.275 3.851 -7.684 1.00 15.00 H new ATOM 341 N HIS A 192 0.652 6.776 -4.337 1.00 15.00 N ATOM 342 CA HIS A 192 -0.208 7.956 -4.386 1.00 15.00 C ATOM 343 C HIS A 192 0.109 8.781 -5.622 1.00 15.00 C ATOM 344 O HIS A 192 -0.676 9.626 -6.035 1.00 15.00 O ATOM 345 CB HIS A 192 -0.072 8.820 -3.125 1.00 15.00 C ATOM 346 CG HIS A 192 -1.181 8.619 -2.132 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.347 9.354 -2.141 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.297 7.762 -1.094 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.127 8.957 -1.154 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.516 7.993 -0.500 1.00 15.00 N ATOM 0 H HIS A 192 1.311 6.766 -3.558 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.240 7.609 -4.435 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.880 8.596 -2.643 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.043 9.870 -3.416 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.566 7.029 -0.787 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.103 9.356 -0.922 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.885 7.499 0.313 1.00 15.00 H new ATOM 359 N ILE A 193 1.273 8.526 -6.195 1.00 15.00 N ATOM 360 CA ILE A 193 1.701 9.198 -7.406 1.00 15.00 C ATOM 361 C ILE A 193 1.243 8.416 -8.635 1.00 15.00 C ATOM 362 O ILE A 193 0.604 8.967 -9.531 1.00 15.00 O ATOM 363 CB ILE A 193 3.238 9.348 -7.434 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.729 9.988 -6.130 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.671 10.180 -8.633 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.237 10.042 -6.001 1.00 15.00 C ATOM 0 H ILE A 193 1.945 7.849 -5.834 1.00 15.00 H new ATOM 0 HA ILE A 193 1.249 10.190 -7.420 1.00 15.00 H new ATOM 0 HB ILE A 193 3.684 8.358 -7.526 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.332 11.001 -6.062 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.322 9.429 -5.287 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.757 10.275 -8.637 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.347 9.691 -9.551 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.220 11.170 -8.571 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.505 10.508 -5.053 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.642 9.030 -6.035 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.652 10.626 -6.822 1.00 15.00 H new ATOM 378 N ASP A 194 1.545 7.119 -8.646 1.00 15.00 N ATOM 379 CA ASP A 194 1.267 6.260 -9.799 1.00 15.00 C ATOM 380 C ASP A 194 -0.207 5.890 -9.908 1.00 15.00 C ATOM 381 O ASP A 194 -0.635 5.370 -10.937 1.00 15.00 O ATOM 382 CB ASP A 194 2.089 4.971 -9.729 1.00 15.00 C ATOM 383 CG ASP A 194 3.581 5.215 -9.693 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.123 5.417 -8.587 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.216 5.182 -10.767 1.00 15.00 O ATOM 0 H ASP A 194 1.986 6.636 -7.863 1.00 15.00 H new ATOM 0 HA ASP A 194 1.545 6.837 -10.681 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.798 4.410 -8.841 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.850 4.349 -10.591 1.00 15.00 H new ATOM 390 N GLN A 195 -0.965 6.108 -8.827 1.00 15.00 N ATOM 391 CA GLN A 195 -2.395 5.775 -8.800 1.00 15.00 C ATOM 392 C GLN A 195 -2.570 4.251 -8.848 1.00 15.00 C ATOM 393 O GLN A 195 -3.597 3.732 -9.281 1.00 15.00 O ATOM 394 CB GLN A 195 -3.112 6.471 -9.980 1.00 15.00 C ATOM 395 CG GLN A 195 -4.616 6.250 -10.035 1.00 15.00 C ATOM 396 CD GLN A 195 -5.297 7.074 -11.106 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.699 7.405 -12.133 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.560 7.406 -10.880 1.00 15.00 N ATOM 0 H GLN A 195 -0.613 6.513 -7.960 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.846 6.135 -7.875 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.919 7.542 -9.923 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.673 6.117 -10.913 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.816 5.194 -10.215 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.049 6.495 -9.065 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -7.018 7.112 -10.017 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.074 7.955 -11.569 1.00 15.00 H new ATOM 407 N THR A 196 -1.588 3.532 -8.321 1.00 15.00 N ATOM 408 CA THR A 196 -1.593 2.079 -8.445 1.00 15.00 C ATOM 409 C THR A 196 -1.508 1.396 -7.080 1.00 15.00 C ATOM 410 O THR A 196 -0.949 1.947 -6.125 1.00 15.00 O ATOM 411 CB THR A 196 -0.454 1.581 -9.371 1.00 15.00 C ATOM 412 OG1 THR A 196 -0.820 0.329 -9.962 1.00 15.00 O ATOM 413 CG2 THR A 196 0.858 1.411 -8.622 1.00 15.00 C ATOM 0 H THR A 196 -0.793 3.920 -7.813 1.00 15.00 H new ATOM 0 HA THR A 196 -2.544 1.805 -8.901 1.00 15.00 H new ATOM 0 HB THR A 196 -0.309 2.338 -10.142 1.00 15.00 H new ATOM 0 HG1 THR A 196 -0.097 0.020 -10.547 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.627 1.061 -9.310 1.00 15.00 H new ATOM 0 HG22 THR A 196 1.161 2.368 -8.196 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.728 0.683 -7.822 1.00 15.00 H new ATOM 421 N THR A 197 -2.097 0.209 -6.994 1.00 15.00 N ATOM 422 CA THR A 197 -2.100 -0.566 -5.766 1.00 15.00 C ATOM 423 C THR A 197 -0.978 -1.606 -5.788 1.00 15.00 C ATOM 424 O THR A 197 -0.855 -2.385 -6.734 1.00 15.00 O ATOM 425 CB THR A 197 -3.460 -1.269 -5.561 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.526 -0.337 -5.795 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.578 -1.824 -4.148 1.00 15.00 C ATOM 0 H THR A 197 -2.583 -0.239 -7.771 1.00 15.00 H new ATOM 0 HA THR A 197 -1.934 0.120 -4.936 1.00 15.00 H new ATOM 0 HB THR A 197 -3.527 -2.096 -6.268 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.387 -0.786 -5.666 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.544 -2.314 -4.029 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.781 -2.546 -3.973 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.493 -1.009 -3.429 1.00 15.00 H new ATOM 435 N THR A 198 -0.160 -1.607 -4.749 1.00 15.00 N ATOM 436 CA THR A 198 0.974 -2.512 -4.667 1.00 15.00 C ATOM 437 C THR A 198 0.779 -3.544 -3.539 1.00 15.00 C ATOM 438 O THR A 198 0.525 -3.168 -2.391 1.00 15.00 O ATOM 439 CB THR A 198 2.269 -1.708 -4.425 1.00 15.00 C ATOM 440 OG1 THR A 198 2.441 -0.738 -5.470 1.00 15.00 O ATOM 441 CG2 THR A 198 3.488 -2.611 -4.373 1.00 15.00 C ATOM 0 H THR A 198 -0.261 -0.987 -3.946 1.00 15.00 H new ATOM 0 HA THR A 198 1.051 -3.050 -5.612 1.00 15.00 H new ATOM 0 HB THR A 198 2.174 -1.209 -3.461 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.488 0.159 -5.079 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.380 -2.009 -4.201 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.374 -3.330 -3.562 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.587 -3.144 -5.319 1.00 15.00 H new ATOM 449 N TRP A 199 0.872 -4.841 -3.872 1.00 15.00 N ATOM 450 CA TRP A 199 0.777 -5.904 -2.866 1.00 15.00 C ATOM 451 C TRP A 199 2.138 -6.201 -2.235 1.00 15.00 C ATOM 452 O TRP A 199 2.228 -6.517 -1.053 1.00 15.00 O ATOM 453 CB TRP A 199 0.246 -7.212 -3.469 1.00 15.00 C ATOM 454 CG TRP A 199 -1.235 -7.437 -3.374 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.027 -7.957 -4.357 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.109 -7.167 -2.266 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.315 -8.079 -3.917 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.390 -7.600 -2.647 1.00 15.00 C ATOM 459 CE3 TRP A 199 -1.948 -6.619 -0.985 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.480 -7.516 -1.812 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.067 -6.514 -0.169 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.314 -6.979 -0.602 1.00 15.00 C ATOM 0 H TRP A 199 1.012 -5.175 -4.825 1.00 15.00 H new ATOM 0 HA TRP A 199 0.084 -5.538 -2.108 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.530 -7.243 -4.521 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.750 -8.044 -2.978 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.684 -8.233 -5.343 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.092 -8.466 -4.453 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -0.979 -6.287 -0.642 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.448 -7.876 -2.129 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -2.974 -6.069 0.810 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.164 -6.901 0.060 1.00 15.00 H new ATOM 473 N GLN A 200 3.192 -6.140 -3.038 1.00 15.00 N ATOM 474 CA GLN A 200 4.516 -6.535 -2.575 1.00 15.00 C ATOM 475 C GLN A 200 5.296 -5.328 -2.078 1.00 15.00 C ATOM 476 O GLN A 200 5.356 -4.304 -2.754 1.00 15.00 O ATOM 477 CB GLN A 200 5.291 -7.235 -3.694 1.00 15.00 C ATOM 478 CG GLN A 200 6.613 -7.832 -3.229 1.00 15.00 C ATOM 479 CD GLN A 200 7.377 -8.541 -4.334 1.00 15.00 C ATOM 480 OE1 GLN A 200 8.609 -8.578 -4.323 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.663 -9.122 -5.287 1.00 15.00 N ATOM 0 H GLN A 200 3.157 -5.823 -4.007 1.00 15.00 H new ATOM 0 HA GLN A 200 4.389 -7.232 -1.747 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.671 -8.026 -4.116 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.484 -6.521 -4.494 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.237 -7.038 -2.818 1.00 15.00 H new ATOM 0 HG3 GLN A 200 6.420 -8.537 -2.421 1.00 15.00 H new ATOM 0 HE21 GLN A 200 5.645 -9.071 -5.264 1.00 15.00 H new ATOM 0 HE22 GLN A 200 7.132 -9.620 -6.044 1.00 15.00 H new ATOM 490 N ASP A 201 5.903 -5.471 -0.905 1.00 15.00 N ATOM 491 CA ASP A 201 6.668 -4.391 -0.284 1.00 15.00 C ATOM 492 C ASP A 201 7.713 -3.836 -1.254 1.00 15.00 C ATOM 493 O ASP A 201 8.625 -4.552 -1.673 1.00 15.00 O ATOM 494 CB ASP A 201 7.359 -4.894 0.987 1.00 15.00 C ATOM 495 CG ASP A 201 7.856 -3.766 1.871 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.680 -2.951 1.408 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.427 -3.701 3.044 1.00 15.00 O1- ATOM 0 H ASP A 201 5.880 -6.332 -0.359 1.00 15.00 H new ATOM 0 HA ASP A 201 5.974 -3.591 -0.024 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.663 -5.513 1.553 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.200 -5.530 0.711 1.00 15.00 H new ATOM 502 N PRO A 202 7.581 -2.548 -1.620 1.00 15.00 N ATOM 503 CA PRO A 202 8.480 -1.877 -2.574 1.00 15.00 C ATOM 504 C PRO A 202 9.946 -1.878 -2.149 1.00 15.00 C ATOM 505 O PRO A 202 10.831 -1.563 -2.946 1.00 15.00 O ATOM 506 CB PRO A 202 7.955 -0.439 -2.626 1.00 15.00 C ATOM 507 CG PRO A 202 7.096 -0.287 -1.417 1.00 15.00 C ATOM 508 CD PRO A 202 6.518 -1.644 -1.156 1.00 15.00 C ATOM 0 HA PRO A 202 8.472 -2.395 -3.533 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.775 0.279 -2.618 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.385 -0.262 -3.538 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.679 0.061 -0.564 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.309 0.448 -1.586 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.295 -1.792 -0.099 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.588 -1.799 -1.703 1.00 15.00 H new ATOM 609 N PRO B 207 -8.825 -8.979 -3.138 1.00 15.00 N ATOM 610 CA PRO B 207 -8.779 -7.626 -3.721 1.00 15.00 C ATOM 611 C PRO B 207 -8.485 -6.558 -2.668 1.00 15.00 C ATOM 612 O PRO B 207 -9.092 -6.544 -1.593 1.00 15.00 O ATOM 613 CB PRO B 207 -10.192 -7.430 -4.303 1.00 15.00 C ATOM 614 CG PRO B 207 -10.997 -8.598 -3.831 1.00 15.00 C ATOM 615 CD PRO B 207 -10.019 -9.706 -3.576 1.00 15.00 C ATOM 0 HA PRO B 207 -7.986 -7.530 -4.462 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.628 -6.492 -3.961 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.164 -7.390 -5.392 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.548 -8.349 -2.924 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.732 -8.892 -4.580 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.377 -10.396 -2.812 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.829 -10.295 -4.474 1.00 15.00 H new ATOM 623 N PRO B 208 -7.547 -5.640 -2.970 1.00 15.00 N ATOM 624 CA PRO B 208 -6.950 -4.714 -2.023 1.00 15.00 C ATOM 625 C PRO B 208 -7.706 -3.375 -2.003 1.00 15.00 C ATOM 626 O PRO B 208 -8.693 -3.203 -2.726 1.00 15.00 O ATOM 627 CB PRO B 208 -5.513 -4.551 -2.612 1.00 15.00 C ATOM 628 CG PRO B 208 -5.539 -5.322 -3.901 1.00 15.00 C ATOM 629 CD PRO B 208 -6.975 -5.321 -4.264 1.00 15.00 C ATOM 0 HA PRO B 208 -6.968 -5.058 -0.989 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.272 -3.502 -2.783 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.759 -4.944 -1.930 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.929 -4.845 -4.668 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.156 -6.335 -3.773 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.311 -4.356 -4.644 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.216 -6.065 -5.024 1.00 15.00 H new ATOM 637 N PRO B 209 -7.255 -2.422 -1.172 1.00 15.00 N ATOM 638 CA PRO B 209 -7.872 -1.093 -1.018 1.00 15.00 C ATOM 639 C PRO B 209 -8.156 -0.369 -2.330 1.00 15.00 C ATOM 640 O PRO B 209 -7.369 -0.437 -3.278 1.00 15.00 O ATOM 641 CB PRO B 209 -6.797 -0.294 -0.272 1.00 15.00 C ATOM 642 CG PRO B 209 -5.581 -1.148 -0.283 1.00 15.00 C ATOM 643 CD PRO B 209 -6.093 -2.547 -0.298 1.00 15.00 C ATOM 0 HA PRO B 209 -8.838 -1.190 -0.523 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.609 0.661 -0.762 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.111 -0.073 0.748 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.963 -0.944 -1.158 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -4.961 -0.964 0.595 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.358 -3.249 -0.691 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.365 -2.895 0.699 1.00 15.00 H new ATOM 651 N PRO B 210 -9.279 0.360 -2.377 1.00 15.00 N ATOM 652 CA PRO B 210 -9.568 1.297 -3.457 1.00 15.00 C ATOM 653 C PRO B 210 -8.621 2.493 -3.391 1.00 15.00 C ATOM 654 O PRO B 210 -8.414 3.074 -2.325 1.00 15.00 O ATOM 655 CB PRO B 210 -11.014 1.742 -3.190 1.00 15.00 C ATOM 656 CG PRO B 210 -11.548 0.784 -2.179 1.00 15.00 C ATOM 657 CD PRO B 210 -10.363 0.320 -1.385 1.00 15.00 C ATOM 0 HA PRO B 210 -9.441 0.853 -4.444 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.047 2.765 -2.816 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.607 1.718 -4.104 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.285 1.265 -1.536 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.047 -0.056 -2.662 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.161 0.975 -0.537 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.510 -0.683 -0.985 1.00 15.00 H new ATOM 665 N TYR B 211 -8.070 2.865 -4.533 1.00 15.00 N ATOM 666 CA TYR B 211 -7.060 3.914 -4.606 1.00 15.00 C ATOM 667 C TYR B 211 -7.606 5.311 -4.263 1.00 15.00 C ATOM 668 O TYR B 211 -6.824 6.242 -4.055 1.00 15.00 O ATOM 669 CB TYR B 211 -6.383 3.926 -5.989 1.00 15.00 C ATOM 670 CG TYR B 211 -5.522 5.147 -6.207 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.250 5.225 -5.662 1.00 15.00 C ATOM 672 CD2 TYR B 211 -6.005 6.245 -6.909 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.485 6.361 -5.803 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.240 7.381 -7.064 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.985 7.439 -6.508 1.00 15.00 C ATOM 676 OH TYR B 211 -3.236 8.585 -6.651 1.00 15.00 O ATOM 0 H TYR B 211 -8.307 2.452 -5.435 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.319 3.675 -3.844 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.770 3.031 -6.097 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.148 3.883 -6.764 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.852 4.381 -5.118 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.995 6.208 -7.340 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.499 6.409 -5.365 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.626 8.222 -7.620 1.00 15.00 H new ATOM 0 HH TYR B 211 -2.412 8.505 -6.127 1.00 15.00 H new ATOM 686 N SER B 212 -8.919 5.455 -4.126 1.00 15.00 N ATOM 687 CA SER B 212 -9.556 6.763 -4.266 1.00 15.00 C ATOM 688 C SER B 212 -8.996 7.769 -3.257 1.00 15.00 C ATOM 689 O SER B 212 -8.307 8.711 -3.664 1.00 15.00 O ATOM 690 CB SER B 212 -11.066 6.610 -4.089 1.00 15.00 C ATOM 691 OG SER B 212 -11.566 5.576 -4.921 1.00 15.00 O ATOM 0 H SER B 212 -9.561 4.690 -3.920 1.00 15.00 H new ATOM 0 HA SER B 212 -9.342 7.150 -5.262 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.294 6.387 -3.047 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.563 7.550 -4.330 1.00 15.00 H new ATOM 0 HG SER B 212 -12.534 5.492 -4.792 1.00 15.00 H new ATOM 697 N ARG B 213 -9.258 7.620 -1.966 1.00 15.00 N ATOM 698 CA ARG B 213 -8.508 8.424 -1.016 1.00 15.00 C ATOM 699 C ARG B 213 -7.722 7.575 -0.029 1.00 15.00 C ATOM 700 O ARG B 213 -6.496 7.503 -0.109 1.00 15.00 O ATOM 701 CB ARG B 213 -9.426 9.402 -0.277 1.00 15.00 C ATOM 702 CG ARG B 213 -9.474 10.783 -0.910 1.00 15.00 C ATOM 703 CD ARG B 213 -8.075 11.383 -1.020 1.00 15.00 C ATOM 704 NE ARG B 213 -7.364 10.906 -2.210 1.00 15.00 N ATOM 705 CZ ARG B 213 -6.102 11.214 -2.502 1.00 15.00 C ATOM 706 NH1 ARG B 213 -5.387 11.964 -1.673 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -5.550 10.752 -3.619 1.00 15.00 N ATOM 0 H ARG B 213 -9.948 6.983 -1.568 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.783 8.997 -1.594 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.434 8.989 -0.247 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.089 9.495 0.755 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.924 10.718 -1.900 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.109 11.438 -0.314 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.148 12.470 -1.053 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.501 11.129 -0.129 1.00 15.00 H new ATOM 0 HE ARG B 213 -7.869 10.299 -2.856 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -5.804 12.307 -0.808 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -4.421 12.197 -1.901 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -6.093 10.163 -4.250 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.583 10.986 -3.845 1.00 15.00 H new ATOM 721 N TYR B 214 -8.423 6.920 0.885 1.00 15.00 N ATOM 722 CA TYR B 214 -7.769 6.088 1.886 1.00 15.00 C ATOM 723 C TYR B 214 -8.244 4.645 1.803 1.00 15.00 C ATOM 724 O TYR B 214 -9.433 4.390 1.619 1.00 15.00 O ATOM 725 CB TYR B 214 -7.946 6.689 3.289 1.00 15.00 C ATOM 726 CG TYR B 214 -6.981 7.835 3.539 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.907 8.900 2.654 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.126 7.838 4.633 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.017 9.935 2.837 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.231 8.875 4.835 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.179 9.921 3.932 1.00 15.00 C ATOM 732 OH TYR B 214 -4.276 10.946 4.117 1.00 15.00 O ATOM 0 H TYR B 214 -9.440 6.948 0.955 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.699 6.071 1.677 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.970 7.044 3.405 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.791 5.913 4.039 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.565 8.918 1.798 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.160 7.019 5.337 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.976 10.750 2.130 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.576 8.867 5.694 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.762 10.785 4.936 1.00 15.00 H new ATOM 742 N PRO B 215 -7.317 3.692 1.970 1.00 15.00 N ATOM 743 CA PRO B 215 -7.599 2.258 1.821 1.00 15.00 C ATOM 744 C PRO B 215 -8.659 1.735 2.778 1.00 15.00 C ATOM 745 O PRO B 215 -9.482 0.896 2.407 1.00 15.00 O ATOM 746 CB PRO B 215 -6.257 1.592 2.132 1.00 15.00 C ATOM 747 CG PRO B 215 -5.240 2.651 1.913 1.00 15.00 C ATOM 748 CD PRO B 215 -5.904 3.939 2.300 1.00 15.00 C ATOM 0 HA PRO B 215 -7.995 2.048 0.827 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.228 1.224 3.157 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.081 0.736 1.481 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.351 2.471 2.518 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.917 2.674 0.872 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.769 4.161 3.359 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.501 4.785 1.743 1.00 15.00 H new