USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=11 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= 0.42 K(o=0.6,f=-5.2!) USER MOD Set 1.2: A 196 THR OG1 : rot 180:sc= -0.298 USER MOD Set 1.3: A 198 THR OG1 : rot 108:sc= 0.475 USER MOD Set 2.1: A 182 THR OG1 : rot 177:sc= -1.78! USER MOD Set 2.2: A 186 GLN : amide:sc= -0.139 K(o=-1.9,f=-4.5!) USER MOD Single : A 179 MET CE :methyl 175:sc= -5.72! (180deg=-6.4!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0.00422 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.796 USER MOD Single : A 192 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-5!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.753 K(o=-0.75,f=-7!) USER MOD Single : B 211 TYR OH : rot -5:sc= 0.282 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 9.343 3.317 5.648 1.00 15.00 N ATOM 46 CA LEU A 173 8.141 3.675 4.898 1.00 15.00 C ATOM 47 C LEU A 173 8.498 4.698 3.820 1.00 15.00 C ATOM 48 O LEU A 173 8.821 5.843 4.141 1.00 15.00 O ATOM 49 CB LEU A 173 7.062 4.270 5.820 1.00 15.00 C ATOM 50 CG LEU A 173 6.554 3.370 6.956 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.584 4.143 7.832 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.876 2.121 6.409 1.00 15.00 C ATOM 0 HA LEU A 173 7.744 2.768 4.443 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.458 5.185 6.261 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.209 4.556 5.205 1.00 15.00 H new ATOM 0 HG LEU A 173 7.412 3.057 7.551 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.227 3.499 8.636 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.090 5.009 8.258 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.738 4.476 7.231 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.527 1.504 7.237 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.027 2.410 5.789 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.588 1.554 5.809 1.00 15.00 H new ATOM 64 N PRO A 174 8.491 4.294 2.536 1.00 15.00 N ATOM 65 CA PRO A 174 8.813 5.193 1.414 1.00 15.00 C ATOM 66 C PRO A 174 7.869 6.399 1.320 1.00 15.00 C ATOM 67 O PRO A 174 6.733 6.358 1.801 1.00 15.00 O ATOM 68 CB PRO A 174 8.660 4.297 0.178 1.00 15.00 C ATOM 69 CG PRO A 174 8.770 2.905 0.688 1.00 15.00 C ATOM 70 CD PRO A 174 8.191 2.930 2.070 1.00 15.00 C ATOM 0 HA PRO A 174 9.806 5.627 1.526 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.700 4.462 -0.311 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.434 4.508 -0.560 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.226 2.210 0.048 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.809 2.576 0.705 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.119 2.734 2.061 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.647 2.176 2.711 1.00 15.00 H new ATOM 78 N ALA A 175 8.341 7.460 0.672 1.00 15.00 N ATOM 79 CA ALA A 175 7.567 8.688 0.531 1.00 15.00 C ATOM 80 C ALA A 175 6.718 8.648 -0.737 1.00 15.00 C ATOM 81 O ALA A 175 7.166 8.171 -1.779 1.00 15.00 O ATOM 82 CB ALA A 175 8.493 9.895 0.510 1.00 15.00 C ATOM 0 H ALA A 175 9.262 7.493 0.234 1.00 15.00 H new ATOM 0 HA ALA A 175 6.899 8.774 1.388 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.902 10.805 0.404 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.059 9.936 1.441 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.182 9.810 -0.330 1.00 15.00 H new ATOM 88 N GLY A 176 5.501 9.168 -0.642 1.00 15.00 N ATOM 89 CA GLY A 176 4.556 9.088 -1.740 1.00 15.00 C ATOM 90 C GLY A 176 3.832 7.756 -1.759 1.00 15.00 C ATOM 91 O GLY A 176 3.173 7.399 -2.742 1.00 15.00 O ATOM 0 H GLY A 176 5.148 9.649 0.186 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.830 9.896 -1.655 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.082 9.230 -2.684 1.00 15.00 H new ATOM 95 N TRP A 177 3.929 7.041 -0.649 1.00 15.00 N ATOM 96 CA TRP A 177 3.342 5.718 -0.529 1.00 15.00 C ATOM 97 C TRP A 177 2.362 5.670 0.637 1.00 15.00 C ATOM 98 O TRP A 177 2.617 6.229 1.706 1.00 15.00 O ATOM 99 CB TRP A 177 4.438 4.667 -0.332 1.00 15.00 C ATOM 100 CG TRP A 177 5.308 4.461 -1.534 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.332 5.255 -1.951 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.243 3.375 -2.460 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.903 4.740 -3.086 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.253 3.583 -3.418 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.427 2.250 -2.573 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.465 2.703 -4.473 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.641 1.379 -3.618 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.654 1.609 -4.555 1.00 15.00 C ATOM 0 H TRP A 177 4.414 7.360 0.189 1.00 15.00 H new ATOM 0 HA TRP A 177 2.801 5.499 -1.449 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.064 4.963 0.510 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.973 3.718 -0.066 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.650 6.162 -1.458 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.683 5.151 -3.598 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.642 2.065 -1.855 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.243 2.879 -5.201 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.016 0.504 -3.716 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.797 0.905 -5.361 1.00 15.00 H new ATOM 119 N GLU A 178 1.249 4.992 0.424 1.00 15.00 N ATOM 120 CA GLU A 178 0.251 4.808 1.462 1.00 15.00 C ATOM 121 C GLU A 178 0.560 3.530 2.227 1.00 15.00 C ATOM 122 O GLU A 178 0.491 2.436 1.666 1.00 15.00 O ATOM 123 CB GLU A 178 -1.150 4.736 0.850 1.00 15.00 C ATOM 124 CG GLU A 178 -2.265 4.783 1.876 1.00 15.00 C ATOM 125 CD GLU A 178 -2.223 6.053 2.698 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.719 7.092 2.213 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.677 6.020 3.819 1.00 15.00 O1- ATOM 0 H GLU A 178 1.012 4.556 -0.467 1.00 15.00 H new ATOM 0 HA GLU A 178 0.279 5.657 2.145 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.275 5.564 0.152 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.238 3.816 0.272 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.227 4.710 1.370 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.186 3.920 2.537 1.00 15.00 H new ATOM 134 N MET A 179 0.904 3.670 3.497 1.00 15.00 N ATOM 135 CA MET A 179 1.386 2.538 4.276 1.00 15.00 C ATOM 136 C MET A 179 0.330 2.073 5.264 1.00 15.00 C ATOM 137 O MET A 179 0.020 2.785 6.224 1.00 15.00 O ATOM 138 CB MET A 179 2.658 2.914 5.050 1.00 15.00 C ATOM 139 CG MET A 179 3.580 3.880 4.317 1.00 15.00 C ATOM 140 SD MET A 179 4.107 3.281 2.701 1.00 15.00 S ATOM 141 CE MET A 179 5.163 1.914 3.160 1.00 15.00 C ATOM 0 H MET A 179 0.859 4.551 4.009 1.00 15.00 H new ATOM 0 HA MET A 179 1.609 1.731 3.578 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.370 3.358 6.003 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.213 2.004 5.277 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.069 4.835 4.193 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.461 4.067 4.932 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.491 1.391 2.262 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.032 2.291 3.699 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.610 1.226 3.799 1.00 15.00 H new ATOM 151 N ALA A 180 -0.251 0.902 5.022 1.00 15.00 N ATOM 152 CA ALA A 180 -1.167 0.313 5.990 1.00 15.00 C ATOM 153 C ALA A 180 -1.143 -1.206 5.925 1.00 15.00 C ATOM 154 O ALA A 180 -1.029 -1.797 4.850 1.00 15.00 O ATOM 155 CB ALA A 180 -2.580 0.840 5.802 1.00 15.00 C ATOM 0 H ALA A 180 -0.106 0.350 4.177 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.826 0.609 6.982 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.240 0.382 6.539 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.585 1.922 5.933 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.930 0.594 4.799 1.00 15.00 H new ATOM 161 N LYS A 181 -1.228 -1.831 7.086 1.00 15.00 N ATOM 162 CA LYS A 181 -1.241 -3.280 7.185 1.00 15.00 C ATOM 163 C LYS A 181 -2.472 -3.725 7.963 1.00 15.00 C ATOM 164 O LYS A 181 -2.756 -3.194 9.037 1.00 15.00 O ATOM 165 CB LYS A 181 0.028 -3.762 7.892 1.00 15.00 C ATOM 166 CG LYS A 181 1.312 -3.252 7.259 1.00 15.00 C ATOM 167 CD LYS A 181 2.524 -3.628 8.091 1.00 15.00 C ATOM 168 CE LYS A 181 3.792 -2.990 7.554 1.00 15.00 C ATOM 169 NZ LYS A 181 4.969 -3.313 8.399 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.290 -1.351 7.984 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.274 -3.712 6.185 1.00 15.00 H new ATOM 0 HB2 LYS A 181 -0.004 -3.444 8.934 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.041 -4.852 7.892 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.415 -3.665 6.256 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.263 -2.168 7.154 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.368 -3.315 9.123 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.637 -4.712 8.100 1.00 15.00 H new ATOM 0 HE2 LYS A 181 3.970 -3.335 6.535 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.664 -1.909 7.507 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.817 -2.860 8.001 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.810 -2.962 9.365 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.106 -4.344 8.424 1.00 15.00 H new ATOM 183 N THR A 182 -3.191 -4.705 7.443 1.00 15.00 N ATOM 184 CA THR A 182 -4.409 -5.155 8.090 1.00 15.00 C ATOM 185 C THR A 182 -4.094 -6.266 9.079 1.00 15.00 C ATOM 186 O THR A 182 -3.163 -7.047 8.867 1.00 15.00 O ATOM 187 CB THR A 182 -5.444 -5.676 7.070 1.00 15.00 C ATOM 188 OG1 THR A 182 -5.009 -6.921 6.516 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.661 -4.679 5.941 1.00 15.00 C ATOM 0 H THR A 182 -2.955 -5.200 6.583 1.00 15.00 H new ATOM 0 HA THR A 182 -4.836 -4.296 8.607 1.00 15.00 H new ATOM 0 HB THR A 182 -6.386 -5.814 7.600 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.696 -7.266 5.908 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.395 -5.077 5.241 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.025 -3.737 6.352 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.719 -4.508 5.421 1.00 15.00 H new ATOM 197 N SER A 183 -4.868 -6.328 10.160 1.00 15.00 N ATOM 198 CA SER A 183 -4.722 -7.379 11.164 1.00 15.00 C ATOM 199 C SER A 183 -4.953 -8.766 10.558 1.00 15.00 C ATOM 200 O SER A 183 -4.645 -9.784 11.174 1.00 15.00 O ATOM 201 CB SER A 183 -5.684 -7.138 12.329 1.00 15.00 C ATOM 202 OG SER A 183 -5.422 -5.887 12.946 1.00 15.00 O ATOM 0 H SER A 183 -5.608 -5.657 10.364 1.00 15.00 H new ATOM 0 HA SER A 183 -3.699 -7.345 11.538 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.712 -7.163 11.969 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.583 -7.939 13.062 1.00 15.00 H new ATOM 0 HG SER A 183 -6.048 -5.750 13.687 1.00 15.00 H new ATOM 208 N SER A 184 -5.529 -8.789 9.363 1.00 15.00 N ATOM 209 CA SER A 184 -5.705 -10.015 8.600 1.00 15.00 C ATOM 210 C SER A 184 -4.349 -10.546 8.119 1.00 15.00 C ATOM 211 O SER A 184 -4.229 -11.694 7.687 1.00 15.00 O ATOM 212 CB SER A 184 -6.625 -9.746 7.409 1.00 15.00 C ATOM 213 OG SER A 184 -7.722 -8.937 7.800 1.00 15.00 O ATOM 0 H SER A 184 -5.887 -7.956 8.896 1.00 15.00 H new ATOM 0 HA SER A 184 -6.159 -10.772 9.240 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.066 -9.251 6.615 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.989 -10.690 7.003 1.00 15.00 H new ATOM 0 HG SER A 184 -8.300 -8.773 7.026 1.00 15.00 H new ATOM 219 N GLY A 185 -3.335 -9.688 8.198 1.00 15.00 N ATOM 220 CA GLY A 185 -2.019 -10.019 7.698 1.00 15.00 C ATOM 221 C GLY A 185 -1.844 -9.618 6.249 1.00 15.00 C ATOM 222 O GLY A 185 -1.184 -10.312 5.476 1.00 15.00 O ATOM 0 H GLY A 185 -3.408 -8.756 8.607 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.264 -9.520 8.306 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.852 -11.091 7.800 1.00 15.00 H new ATOM 226 N GLN A 186 -2.436 -8.485 5.885 1.00 15.00 N ATOM 227 CA GLN A 186 -2.298 -7.951 4.536 1.00 15.00 C ATOM 228 C GLN A 186 -1.479 -6.672 4.556 1.00 15.00 C ATOM 229 O GLN A 186 -1.908 -5.661 5.109 1.00 15.00 O ATOM 230 CB GLN A 186 -3.665 -7.662 3.911 1.00 15.00 C ATOM 231 CG GLN A 186 -4.495 -8.898 3.635 1.00 15.00 C ATOM 232 CD GLN A 186 -5.923 -8.556 3.257 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.790 -8.418 4.121 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.178 -8.420 1.965 1.00 15.00 N ATOM 0 H GLN A 186 -3.015 -7.920 6.505 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.789 -8.704 3.935 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.224 -7.004 4.576 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.518 -7.121 2.976 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.035 -9.470 2.829 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.498 -9.537 4.518 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.430 -8.543 1.282 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.122 -8.192 1.653 1.00 15.00 H new ATOM 243 N ARG A 187 -0.298 -6.727 3.971 1.00 15.00 N ATOM 244 CA ARG A 187 0.524 -5.542 3.817 1.00 15.00 C ATOM 245 C ARG A 187 0.278 -4.939 2.434 1.00 15.00 C ATOM 246 O ARG A 187 0.572 -5.571 1.424 1.00 15.00 O ATOM 247 CB ARG A 187 2.015 -5.881 4.016 1.00 15.00 C ATOM 248 CG ARG A 187 2.542 -6.963 3.081 1.00 15.00 C ATOM 249 CD ARG A 187 3.921 -7.458 3.493 1.00 15.00 C ATOM 250 NE ARG A 187 4.963 -6.436 3.371 1.00 15.00 N ATOM 251 CZ ARG A 187 6.224 -6.617 3.781 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.564 -7.743 4.398 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.135 -5.670 3.603 1.00 15.00 N ATOM 0 H ARG A 187 0.114 -7.581 3.594 1.00 15.00 H new ATOM 0 HA ARG A 187 0.252 -4.811 4.579 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.604 -4.975 3.873 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.168 -6.201 5.047 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.846 -7.801 3.069 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.587 -6.572 2.065 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.881 -7.805 4.525 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.190 -8.317 2.878 1.00 15.00 H new ATOM 0 HE ARG A 187 4.715 -5.540 2.952 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.865 -8.468 4.559 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.525 -7.883 4.711 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.877 -4.793 3.150 1.00 15.00 H new ATOM 0 HH22 ARG A 187 8.093 -5.818 3.919 1.00 15.00 H new ATOM 267 N TYR A 188 -0.310 -3.753 2.375 1.00 15.00 N ATOM 268 CA TYR A 188 -0.548 -3.112 1.096 1.00 15.00 C ATOM 269 C TYR A 188 0.046 -1.713 1.096 1.00 15.00 C ATOM 270 O TYR A 188 0.054 -1.018 2.124 1.00 15.00 O ATOM 271 CB TYR A 188 -2.052 -3.082 0.751 1.00 15.00 C ATOM 272 CG TYR A 188 -2.925 -2.294 1.710 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.812 -0.912 1.826 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.883 -2.937 2.484 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.614 -0.198 2.688 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.693 -2.224 3.351 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.552 -0.859 3.451 1.00 15.00 C ATOM 278 OH TYR A 188 -5.357 -0.154 4.314 1.00 15.00 O ATOM 0 H TYR A 188 -0.626 -3.223 3.187 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.054 -3.698 0.321 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.170 -2.663 -0.248 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.419 -4.108 0.712 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.081 -0.389 1.228 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.997 -4.008 2.408 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.508 0.874 2.766 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.433 -2.737 3.947 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.963 -0.771 4.774 1.00 15.00 H new ATOM 288 N PHE A 189 0.555 -1.310 -0.051 1.00 15.00 N ATOM 289 CA PHE A 189 1.140 0.003 -0.201 1.00 15.00 C ATOM 290 C PHE A 189 0.582 0.682 -1.444 1.00 15.00 C ATOM 291 O PHE A 189 0.651 0.135 -2.541 1.00 15.00 O ATOM 292 CB PHE A 189 2.661 -0.112 -0.304 1.00 15.00 C ATOM 293 CG PHE A 189 3.283 -0.963 0.769 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.352 -0.510 2.072 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.797 -2.216 0.473 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.923 -1.283 3.064 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.366 -2.993 1.460 1.00 15.00 C ATOM 298 CZ PHE A 189 4.431 -2.527 2.758 1.00 15.00 C ATOM 0 H PHE A 189 0.574 -1.879 -0.897 1.00 15.00 H new ATOM 0 HA PHE A 189 0.890 0.605 0.672 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.919 -0.527 -1.278 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.095 0.887 -0.259 1.00 15.00 H new ATOM 0 HD1 PHE A 189 2.954 0.463 2.319 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.751 -2.587 -0.540 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.971 -0.913 4.078 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.762 -3.968 1.217 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.878 -3.135 3.531 1.00 15.00 H new ATOM 308 N LEU A 190 0.036 1.873 -1.275 1.00 15.00 N ATOM 309 CA LEU A 190 -0.459 2.637 -2.413 1.00 15.00 C ATOM 310 C LEU A 190 0.634 3.515 -2.981 1.00 15.00 C ATOM 311 O LEU A 190 1.375 4.143 -2.232 1.00 15.00 O ATOM 312 CB LEU A 190 -1.599 3.580 -2.031 1.00 15.00 C ATOM 313 CG LEU A 190 -3.025 3.053 -2.127 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.960 4.236 -2.325 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.176 2.068 -3.275 1.00 15.00 C ATOM 0 H LEU A 190 -0.077 2.331 -0.371 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.807 1.897 -3.134 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.432 3.907 -1.005 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.527 4.465 -2.663 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.273 2.521 -1.208 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.988 3.880 -2.396 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.870 4.917 -1.478 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.694 4.761 -3.242 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.205 1.711 -3.315 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.926 2.562 -4.214 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.505 1.223 -3.120 1.00 15.00 H new ATOM 327 N ASN A 191 0.717 3.608 -4.292 1.00 15.00 N ATOM 328 CA ASN A 191 1.483 4.669 -4.885 1.00 15.00 C ATOM 329 C ASN A 191 0.538 5.833 -5.078 1.00 15.00 C ATOM 330 O ASN A 191 -0.263 5.824 -6.021 1.00 15.00 O ATOM 331 CB ASN A 191 2.088 4.292 -6.241 1.00 15.00 C ATOM 332 CG ASN A 191 2.842 2.973 -6.251 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.467 2.011 -5.580 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.909 2.917 -7.032 1.00 15.00 N ATOM 0 H ASN A 191 0.270 2.971 -4.952 1.00 15.00 H new ATOM 0 HA ASN A 191 2.320 4.904 -4.227 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.289 4.244 -6.980 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.766 5.086 -6.555 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.452 2.056 -7.093 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.189 3.735 -7.573 1.00 15.00 H new ATOM 341 N HIS A 192 0.584 6.798 -4.156 1.00 15.00 N ATOM 342 CA HIS A 192 -0.295 7.965 -4.223 1.00 15.00 C ATOM 343 C HIS A 192 0.047 8.802 -5.445 1.00 15.00 C ATOM 344 O HIS A 192 -0.738 9.631 -5.887 1.00 15.00 O ATOM 345 CB HIS A 192 -0.193 8.828 -2.955 1.00 15.00 C ATOM 346 CG HIS A 192 -1.288 8.584 -1.951 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.447 9.331 -1.900 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.388 7.686 -0.945 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.203 8.902 -0.911 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.589 7.907 -0.310 1.00 15.00 N ATOM 0 H HIS A 192 1.219 6.793 -3.358 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.321 7.604 -4.300 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.769 8.641 -2.479 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.207 9.879 -3.243 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.658 6.933 -0.687 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.169 9.302 -0.638 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.943 7.386 0.492 1.00 15.00 H new ATOM 359 N ILE A 193 1.237 8.573 -5.974 1.00 15.00 N ATOM 360 CA ILE A 193 1.718 9.298 -7.137 1.00 15.00 C ATOM 361 C ILE A 193 1.436 8.518 -8.422 1.00 15.00 C ATOM 362 O ILE A 193 1.128 9.098 -9.462 1.00 15.00 O ATOM 363 CB ILE A 193 3.235 9.552 -7.016 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.559 10.186 -5.658 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.716 10.446 -8.148 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.040 10.352 -5.399 1.00 15.00 C ATOM 0 H ILE A 193 1.894 7.882 -5.611 1.00 15.00 H new ATOM 0 HA ILE A 193 1.190 10.251 -7.181 1.00 15.00 H new ATOM 0 HB ILE A 193 3.755 8.597 -7.088 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.078 11.162 -5.599 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.128 9.570 -4.868 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.788 10.615 -8.048 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.513 9.964 -9.104 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.192 11.401 -8.105 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.189 10.807 -4.420 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.525 9.376 -5.424 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.474 10.993 -6.166 1.00 15.00 H new ATOM 378 N ASP A 194 1.526 7.196 -8.339 1.00 15.00 N ATOM 379 CA ASP A 194 1.400 6.351 -9.524 1.00 15.00 C ATOM 380 C ASP A 194 -0.021 5.842 -9.722 1.00 15.00 C ATOM 381 O ASP A 194 -0.335 5.311 -10.789 1.00 15.00 O ATOM 382 CB ASP A 194 2.360 5.161 -9.469 1.00 15.00 C ATOM 383 CG ASP A 194 3.815 5.577 -9.504 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.229 6.241 -10.479 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.560 5.221 -8.568 1.00 15.00 O1- ATOM 0 H ASP A 194 1.685 6.687 -7.470 1.00 15.00 H new ATOM 0 HA ASP A 194 1.660 6.983 -10.373 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.172 4.591 -8.559 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.157 4.497 -10.309 1.00 15.00 H new ATOM 390 N GLN A 195 -0.854 5.959 -8.681 1.00 15.00 N ATOM 391 CA GLN A 195 -2.251 5.519 -8.746 1.00 15.00 C ATOM 392 C GLN A 195 -2.308 3.992 -8.816 1.00 15.00 C ATOM 393 O GLN A 195 -3.189 3.400 -9.440 1.00 15.00 O ATOM 394 CB GLN A 195 -2.943 6.174 -9.961 1.00 15.00 C ATOM 395 CG GLN A 195 -4.425 5.858 -10.100 1.00 15.00 C ATOM 396 CD GLN A 195 -5.089 6.617 -11.230 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.453 6.962 -12.228 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.379 6.877 -11.086 1.00 15.00 N ATOM 0 H GLN A 195 -0.583 6.356 -7.781 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.784 5.831 -7.848 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.822 7.255 -9.891 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.431 5.854 -10.869 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.548 4.788 -10.267 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.931 6.095 -9.164 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.869 6.574 -10.244 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.883 7.380 -11.817 1.00 15.00 H new ATOM 407 N THR A 196 -1.391 3.350 -8.112 1.00 15.00 N ATOM 408 CA THR A 196 -1.299 1.897 -8.169 1.00 15.00 C ATOM 409 C THR A 196 -1.331 1.265 -6.781 1.00 15.00 C ATOM 410 O THR A 196 -0.834 1.840 -5.810 1.00 15.00 O ATOM 411 CB THR A 196 -0.032 1.445 -8.921 1.00 15.00 C ATOM 412 OG1 THR A 196 1.098 2.207 -8.488 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.205 1.599 -10.424 1.00 15.00 C ATOM 0 H THR A 196 -0.709 3.801 -7.503 1.00 15.00 H new ATOM 0 HA THR A 196 -2.176 1.553 -8.717 1.00 15.00 H new ATOM 0 HB THR A 196 0.134 0.391 -8.696 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.897 1.910 -8.971 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.704 1.273 -10.930 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.045 0.990 -10.758 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.398 2.645 -10.663 1.00 15.00 H new ATOM 421 N THR A 197 -1.935 0.087 -6.699 1.00 15.00 N ATOM 422 CA THR A 197 -2.019 -0.660 -5.453 1.00 15.00 C ATOM 423 C THR A 197 -0.987 -1.786 -5.444 1.00 15.00 C ATOM 424 O THR A 197 -1.105 -2.759 -6.188 1.00 15.00 O ATOM 425 CB THR A 197 -3.429 -1.251 -5.257 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.419 -0.217 -5.386 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.563 -1.909 -3.890 1.00 15.00 C ATOM 0 H THR A 197 -2.379 -0.376 -7.492 1.00 15.00 H new ATOM 0 HA THR A 197 -1.813 0.028 -4.633 1.00 15.00 H new ATOM 0 HB THR A 197 -3.585 -2.008 -6.025 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.312 -0.602 -5.262 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.568 -2.317 -3.780 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.833 -2.713 -3.800 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.385 -1.168 -3.111 1.00 15.00 H new ATOM 435 N THR A 198 0.018 -1.644 -4.601 1.00 15.00 N ATOM 436 CA THR A 198 1.116 -2.588 -4.548 1.00 15.00 C ATOM 437 C THR A 198 0.944 -3.567 -3.376 1.00 15.00 C ATOM 438 O THR A 198 0.904 -3.147 -2.219 1.00 15.00 O ATOM 439 CB THR A 198 2.450 -1.824 -4.397 1.00 15.00 C ATOM 440 OG1 THR A 198 2.572 -0.846 -5.442 1.00 15.00 O ATOM 441 CG2 THR A 198 3.636 -2.767 -4.452 1.00 15.00 C ATOM 0 H THR A 198 0.096 -0.874 -3.936 1.00 15.00 H new ATOM 0 HA THR A 198 1.123 -3.161 -5.475 1.00 15.00 H new ATOM 0 HB THR A 198 2.446 -1.332 -3.424 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.454 0.051 -5.066 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.559 -2.198 -4.343 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.560 -3.494 -3.644 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.642 -3.288 -5.409 1.00 15.00 H new ATOM 449 N TRP A 199 0.809 -4.866 -3.680 1.00 15.00 N ATOM 450 CA TRP A 199 0.756 -5.891 -2.638 1.00 15.00 C ATOM 451 C TRP A 199 2.128 -6.081 -1.992 1.00 15.00 C ATOM 452 O TRP A 199 2.290 -5.925 -0.785 1.00 15.00 O ATOM 453 CB TRP A 199 0.302 -7.243 -3.201 1.00 15.00 C ATOM 454 CG TRP A 199 -1.182 -7.494 -3.223 1.00 15.00 C ATOM 455 CD1 TRP A 199 -1.910 -7.929 -4.294 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.121 -7.342 -2.143 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.219 -8.115 -3.939 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.371 -7.765 -2.632 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.042 -6.912 -0.809 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.504 -7.786 -1.849 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.205 -6.906 -0.047 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.416 -7.362 -0.589 1.00 15.00 C ATOM 0 H TRP A 199 0.735 -5.226 -4.632 1.00 15.00 H new ATOM 0 HA TRP A 199 0.036 -5.546 -1.896 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.679 -7.333 -4.220 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.774 -8.033 -2.616 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.509 -8.102 -5.282 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -3.958 -8.459 -4.552 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.101 -6.594 -0.385 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.444 -8.139 -2.248 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.176 -6.547 0.971 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.300 -7.370 0.031 1.00 15.00 H new ATOM 473 N GLN A 200 3.118 -6.421 -2.809 1.00 15.00 N ATOM 474 CA GLN A 200 4.438 -6.762 -2.297 1.00 15.00 C ATOM 475 C GLN A 200 5.334 -5.540 -2.192 1.00 15.00 C ATOM 476 O GLN A 200 5.471 -4.770 -3.139 1.00 15.00 O ATOM 477 CB GLN A 200 5.095 -7.838 -3.161 1.00 15.00 C ATOM 478 CG GLN A 200 4.976 -9.233 -2.565 1.00 15.00 C ATOM 479 CD GLN A 200 5.804 -9.402 -1.297 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.053 -8.444 -0.563 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.224 -10.626 -1.024 1.00 15.00 N ATOM 0 H GLN A 200 3.032 -6.468 -3.824 1.00 15.00 H new ATOM 0 HA GLN A 200 4.303 -7.159 -1.291 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.638 -7.831 -4.150 1.00 15.00 H new ATOM 0 HB3 GLN A 200 6.149 -7.595 -3.295 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.930 -9.440 -2.341 1.00 15.00 H new ATOM 0 HG3 GLN A 200 5.296 -9.968 -3.304 1.00 15.00 H new ATOM 0 HE21 GLN A 200 5.999 -11.395 -1.655 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.773 -10.801 -0.182 1.00 15.00 H new ATOM 490 N ASP A 201 5.977 -5.431 -1.038 1.00 15.00 N ATOM 491 CA ASP A 201 6.755 -4.256 -0.642 1.00 15.00 C ATOM 492 C ASP A 201 7.675 -3.749 -1.755 1.00 15.00 C ATOM 493 O ASP A 201 8.450 -4.510 -2.335 1.00 15.00 O ATOM 494 CB ASP A 201 7.589 -4.611 0.585 1.00 15.00 C ATOM 495 CG ASP A 201 8.023 -3.390 1.367 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.776 -2.567 0.822 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.605 -3.257 2.536 1.00 15.00 O ATOM 0 H ASP A 201 5.975 -6.169 -0.334 1.00 15.00 H new ATOM 0 HA ASP A 201 6.052 -3.453 -0.421 1.00 15.00 H new ATOM 0 HB2 ASP A 201 7.011 -5.268 1.235 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.471 -5.169 0.271 1.00 15.00 H new ATOM 502 N PRO A 202 7.598 -2.444 -2.060 1.00 15.00 N ATOM 503 CA PRO A 202 8.464 -1.796 -3.055 1.00 15.00 C ATOM 504 C PRO A 202 9.953 -1.866 -2.710 1.00 15.00 C ATOM 505 O PRO A 202 10.808 -1.638 -3.569 1.00 15.00 O ATOM 506 CB PRO A 202 8.006 -0.332 -3.044 1.00 15.00 C ATOM 507 CG PRO A 202 7.217 -0.161 -1.788 1.00 15.00 C ATOM 508 CD PRO A 202 6.625 -1.504 -1.483 1.00 15.00 C ATOM 0 HA PRO A 202 8.373 -2.293 -4.021 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.860 0.345 -3.064 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.399 -0.106 -3.921 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.854 0.179 -0.971 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.436 0.589 -1.917 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.506 -1.657 -0.410 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.639 -1.620 -1.933 1.00 15.00 H new ATOM 609 N PRO B 207 -8.933 -9.039 -3.466 1.00 15.00 N ATOM 610 CA PRO B 207 -8.811 -7.635 -3.893 1.00 15.00 C ATOM 611 C PRO B 207 -8.541 -6.676 -2.735 1.00 15.00 C ATOM 612 O PRO B 207 -9.219 -6.712 -1.701 1.00 15.00 O ATOM 613 CB PRO B 207 -10.175 -7.323 -4.537 1.00 15.00 C ATOM 614 CG PRO B 207 -11.043 -8.503 -4.249 1.00 15.00 C ATOM 615 CD PRO B 207 -10.118 -9.669 -4.056 1.00 15.00 C ATOM 0 HA PRO B 207 -7.964 -7.503 -4.567 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.604 -6.412 -4.121 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.073 -7.166 -5.611 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.646 -8.333 -3.357 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.734 -8.687 -5.071 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.548 -10.423 -3.397 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.887 -10.164 -4.999 1.00 15.00 H new ATOM 623 N PRO B 208 -7.569 -5.770 -2.925 1.00 15.00 N ATOM 624 CA PRO B 208 -7.003 -4.905 -1.904 1.00 15.00 C ATOM 625 C PRO B 208 -7.734 -3.556 -1.881 1.00 15.00 C ATOM 626 O PRO B 208 -8.690 -3.358 -2.636 1.00 15.00 O ATOM 627 CB PRO B 208 -5.533 -4.748 -2.397 1.00 15.00 C ATOM 628 CG PRO B 208 -5.510 -5.397 -3.757 1.00 15.00 C ATOM 629 CD PRO B 208 -6.938 -5.392 -4.175 1.00 15.00 C ATOM 0 HA PRO B 208 -7.081 -5.294 -0.889 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.246 -3.698 -2.455 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.834 -5.233 -1.716 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.886 -4.840 -4.456 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.110 -6.410 -3.711 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.265 -4.414 -4.528 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.140 -6.104 -4.976 1.00 15.00 H new ATOM 637 N PRO B 209 -7.325 -2.634 -0.998 1.00 15.00 N ATOM 638 CA PRO B 209 -7.913 -1.288 -0.895 1.00 15.00 C ATOM 639 C PRO B 209 -8.043 -0.568 -2.234 1.00 15.00 C ATOM 640 O PRO B 209 -7.121 -0.588 -3.056 1.00 15.00 O ATOM 641 CB PRO B 209 -6.890 -0.521 -0.050 1.00 15.00 C ATOM 642 CG PRO B 209 -5.717 -1.425 0.082 1.00 15.00 C ATOM 643 CD PRO B 209 -6.266 -2.809 -0.009 1.00 15.00 C ATOM 0 HA PRO B 209 -8.922 -1.348 -0.488 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.610 0.416 -0.531 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.301 -0.268 0.927 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.988 -1.240 -0.707 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.206 -1.268 1.032 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.515 -3.528 -0.335 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.652 -3.162 0.948 1.00 15.00 H new ATOM 651 N PRO B 210 -9.186 0.093 -2.452 1.00 15.00 N ATOM 652 CA PRO B 210 -9.378 0.968 -3.606 1.00 15.00 C ATOM 653 C PRO B 210 -8.455 2.182 -3.527 1.00 15.00 C ATOM 654 O PRO B 210 -8.270 2.765 -2.456 1.00 15.00 O ATOM 655 CB PRO B 210 -10.845 1.400 -3.501 1.00 15.00 C ATOM 656 CG PRO B 210 -11.203 1.203 -2.068 1.00 15.00 C ATOM 657 CD PRO B 210 -10.381 0.042 -1.589 1.00 15.00 C ATOM 0 HA PRO B 210 -9.149 0.473 -4.549 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.973 2.440 -3.800 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.481 0.801 -4.153 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.988 2.099 -1.486 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.268 0.999 -1.957 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.121 0.141 -0.535 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.916 -0.902 -1.698 1.00 15.00 H new ATOM 665 N TYR B 211 -7.900 2.567 -4.663 1.00 15.00 N ATOM 666 CA TYR B 211 -6.942 3.663 -4.726 1.00 15.00 C ATOM 667 C TYR B 211 -7.596 5.030 -4.493 1.00 15.00 C ATOM 668 O TYR B 211 -6.896 6.018 -4.268 1.00 15.00 O ATOM 669 CB TYR B 211 -6.185 3.662 -6.066 1.00 15.00 C ATOM 670 CG TYR B 211 -5.366 4.920 -6.271 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.127 5.070 -5.667 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.864 5.981 -7.019 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.407 6.239 -5.800 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.143 7.150 -7.166 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.919 7.277 -6.552 1.00 15.00 C ATOM 676 OH TYR B 211 -3.210 8.453 -6.684 1.00 15.00 O ATOM 0 H TYR B 211 -8.098 2.133 -5.565 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.232 3.497 -3.916 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.528 2.794 -6.107 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.899 3.560 -6.883 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.719 4.258 -5.083 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.830 5.890 -7.493 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.446 6.342 -5.318 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.539 7.960 -7.760 1.00 15.00 H new ATOM 0 HH TYR B 211 -2.406 8.415 -6.125 1.00 15.00 H new ATOM 686 N SER B 212 -8.921 5.087 -4.462 1.00 15.00 N ATOM 687 CA SER B 212 -9.626 6.340 -4.714 1.00 15.00 C ATOM 688 C SER B 212 -9.218 7.425 -3.718 1.00 15.00 C ATOM 689 O SER B 212 -8.575 8.396 -4.119 1.00 15.00 O ATOM 690 CB SER B 212 -11.133 6.093 -4.658 1.00 15.00 C ATOM 691 OG SER B 212 -11.491 5.019 -5.513 1.00 15.00 O ATOM 0 H SER B 212 -9.526 4.289 -4.267 1.00 15.00 H new ATOM 0 HA SER B 212 -9.354 6.698 -5.707 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.433 5.867 -3.635 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.667 6.996 -4.955 1.00 15.00 H new ATOM 0 HG SER B 212 -12.459 4.871 -5.465 1.00 15.00 H new ATOM 697 N ARG B 213 -9.572 7.317 -2.447 1.00 15.00 N ATOM 698 CA ARG B 213 -8.961 8.221 -1.484 1.00 15.00 C ATOM 699 C ARG B 213 -8.205 7.471 -0.397 1.00 15.00 C ATOM 700 O ARG B 213 -6.972 7.468 -0.378 1.00 15.00 O ATOM 701 CB ARG B 213 -10.014 9.147 -0.867 1.00 15.00 C ATOM 702 CG ARG B 213 -10.503 10.215 -1.829 1.00 15.00 C ATOM 703 CD ARG B 213 -9.344 11.061 -2.325 1.00 15.00 C ATOM 704 NE ARG B 213 -9.750 12.028 -3.344 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.888 12.731 -4.077 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.582 12.540 -3.921 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.324 13.606 -4.978 1.00 15.00 N ATOM 0 H ARG B 213 -10.244 6.649 -2.070 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.235 8.827 -2.026 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.863 8.551 -0.533 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.594 9.627 0.017 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.006 9.747 -2.675 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -11.237 10.850 -1.333 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.899 11.591 -1.483 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.572 10.409 -2.735 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.747 12.172 -3.502 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.244 11.858 -3.242 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.918 13.076 -4.480 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.326 13.743 -5.112 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.657 14.140 -5.535 1.00 15.00 H new ATOM 721 N TYR B 214 -8.940 6.807 0.481 1.00 15.00 N ATOM 722 CA TYR B 214 -8.335 6.069 1.581 1.00 15.00 C ATOM 723 C TYR B 214 -8.701 4.591 1.532 1.00 15.00 C ATOM 724 O TYR B 214 -9.863 4.244 1.314 1.00 15.00 O ATOM 725 CB TYR B 214 -8.709 6.708 2.923 1.00 15.00 C ATOM 726 CG TYR B 214 -7.820 7.886 3.278 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.621 8.929 2.377 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.156 7.943 4.496 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.792 9.990 2.679 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.329 9.005 4.810 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.149 10.024 3.896 1.00 15.00 C ATOM 732 OH TYR B 214 -5.319 11.083 4.198 1.00 15.00 O ATOM 0 H TYR B 214 -9.959 6.763 0.454 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.252 6.125 1.475 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.747 7.039 2.887 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.642 5.957 3.710 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -8.126 8.907 1.422 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.288 7.144 5.210 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.649 10.788 1.966 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.826 9.038 5.765 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.942 10.958 5.094 1.00 15.00 H new ATOM 742 N PRO B 215 -7.713 3.709 1.749 1.00 15.00 N ATOM 743 CA PRO B 215 -7.922 2.255 1.783 1.00 15.00 C ATOM 744 C PRO B 215 -8.896 1.819 2.868 1.00 15.00 C ATOM 745 O PRO B 215 -9.999 1.359 2.582 1.00 15.00 O ATOM 746 CB PRO B 215 -6.529 1.701 2.097 1.00 15.00 C ATOM 747 CG PRO B 215 -5.591 2.764 1.663 1.00 15.00 C ATOM 748 CD PRO B 215 -6.295 4.060 1.941 1.00 15.00 C ATOM 0 HA PRO B 215 -8.352 1.898 0.847 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.419 1.487 3.160 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.345 0.769 1.563 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.650 2.704 2.210 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.351 2.667 0.604 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -6.100 4.417 2.952 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.977 4.848 1.258 1.00 15.00 H new