USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=13 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= 0.826 K(o=1.4,f=-4.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 115:sc= 0.616 USER MOD Set 2.1: A 182 THR OG1 : rot -99:sc= 1.28 USER MOD Set 2.2: A 184 SER OG : rot 152:sc= 1.39 USER MOD Set 2.3: A 186 GLN :FLIP amide:sc= 0.253 F(o=0.56!,f=2.9) USER MOD Single : A 179 MET CE :methyl 170:sc= -5.77! (180deg=-6.68!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 188 TYR OH : rot 180:sc= -1.69! USER MOD Single : A 192 HIS : no HD1:sc= -1.38! C(o=-1.4!,f=-5.3!) USER MOD Single : A 195 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN :FLIP amide:sc= -0.186 F(o=-1.3,f=-0.19) USER MOD Single : B 211 TYR OH : rot -22:sc= 0.111 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0615 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.366 3.500 5.460 1.00 15.00 N ATOM 46 CA LEU A 173 8.180 3.902 4.714 1.00 15.00 C ATOM 47 C LEU A 173 8.569 4.850 3.580 1.00 15.00 C ATOM 48 O LEU A 173 8.946 5.995 3.828 1.00 15.00 O ATOM 49 CB LEU A 173 7.154 4.592 5.627 1.00 15.00 C ATOM 50 CG LEU A 173 6.575 3.746 6.772 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.623 4.585 7.609 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.853 2.520 6.234 1.00 15.00 C ATOM 0 HA LEU A 173 7.725 3.002 4.301 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.623 5.476 6.060 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.327 4.940 5.008 1.00 15.00 H new ATOM 0 HG LEU A 173 7.401 3.408 7.397 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.218 3.977 8.418 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.160 5.436 8.028 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.807 4.945 6.982 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.453 1.939 7.065 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.036 2.835 5.585 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.552 1.906 5.666 1.00 15.00 H new ATOM 64 N PRO A 174 8.531 4.363 2.329 1.00 15.00 N ATOM 65 CA PRO A 174 8.780 5.189 1.138 1.00 15.00 C ATOM 66 C PRO A 174 7.793 6.354 1.021 1.00 15.00 C ATOM 67 O PRO A 174 6.626 6.239 1.406 1.00 15.00 O ATOM 68 CB PRO A 174 8.595 4.203 -0.025 1.00 15.00 C ATOM 69 CG PRO A 174 8.795 2.856 0.576 1.00 15.00 C ATOM 70 CD PRO A 174 8.272 2.959 1.978 1.00 15.00 C ATOM 0 HA PRO A 174 9.765 5.656 1.163 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.602 4.295 -0.466 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.316 4.391 -0.820 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.259 2.092 0.013 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.849 2.576 0.570 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.210 2.720 2.030 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.787 2.274 2.651 1.00 15.00 H new ATOM 78 N ALA A 175 8.257 7.462 0.456 1.00 15.00 N ATOM 79 CA ALA A 175 7.433 8.659 0.329 1.00 15.00 C ATOM 80 C ALA A 175 6.662 8.651 -0.985 1.00 15.00 C ATOM 81 O ALA A 175 7.190 8.252 -2.024 1.00 15.00 O ATOM 82 CB ALA A 175 8.298 9.908 0.426 1.00 15.00 C ATOM 0 H ALA A 175 9.200 7.557 0.078 1.00 15.00 H new ATOM 0 HA ALA A 175 6.712 8.665 1.147 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.670 10.794 0.330 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.805 9.926 1.391 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.039 9.900 -0.373 1.00 15.00 H new ATOM 88 N GLY A 176 5.419 9.112 -0.929 1.00 15.00 N ATOM 89 CA GLY A 176 4.536 9.050 -2.078 1.00 15.00 C ATOM 90 C GLY A 176 3.779 7.740 -2.118 1.00 15.00 C ATOM 91 O GLY A 176 3.147 7.395 -3.121 1.00 15.00 O ATOM 0 H GLY A 176 5.003 9.532 -0.098 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.830 9.880 -2.042 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.117 9.165 -2.993 1.00 15.00 H new ATOM 95 N TRP A 177 3.804 7.039 -0.993 1.00 15.00 N ATOM 96 CA TRP A 177 3.170 5.737 -0.873 1.00 15.00 C ATOM 97 C TRP A 177 2.158 5.747 0.269 1.00 15.00 C ATOM 98 O TRP A 177 2.309 6.485 1.242 1.00 15.00 O ATOM 99 CB TRP A 177 4.223 4.650 -0.616 1.00 15.00 C ATOM 100 CG TRP A 177 5.128 4.365 -1.780 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.190 5.113 -2.200 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.069 3.233 -2.653 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.784 4.522 -3.289 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.114 3.366 -3.585 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.230 2.122 -2.742 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.341 2.428 -4.588 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.459 1.191 -3.734 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.507 1.349 -4.645 1.00 15.00 C ATOM 0 H TRP A 177 4.264 7.358 -0.140 1.00 15.00 H new ATOM 0 HA TRP A 177 2.655 5.519 -1.808 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.833 4.949 0.236 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.713 3.728 -0.336 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.516 6.035 -1.743 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.592 4.885 -3.794 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.415 1.993 -2.046 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.148 2.550 -5.296 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.817 0.325 -3.808 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.660 0.602 -5.410 1.00 15.00 H new ATOM 119 N GLU A 178 1.131 4.922 0.143 1.00 15.00 N ATOM 120 CA GLU A 178 0.142 4.768 1.196 1.00 15.00 C ATOM 121 C GLU A 178 0.455 3.511 1.989 1.00 15.00 C ATOM 122 O GLU A 178 0.392 2.404 1.455 1.00 15.00 O ATOM 123 CB GLU A 178 -1.267 4.685 0.607 1.00 15.00 C ATOM 124 CG GLU A 178 -2.369 4.855 1.637 1.00 15.00 C ATOM 125 CD GLU A 178 -2.308 6.212 2.304 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.486 6.392 3.224 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -3.057 7.113 1.880 1.00 15.00 O ATOM 0 H GLU A 178 0.961 4.347 -0.682 1.00 15.00 H new ATOM 0 HA GLU A 178 0.181 5.636 1.854 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.377 5.452 -0.160 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.389 3.721 0.113 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.339 4.729 1.156 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.284 4.074 2.393 1.00 15.00 H new ATOM 134 N MET A 179 0.803 3.682 3.252 1.00 15.00 N ATOM 135 CA MET A 179 1.287 2.574 4.059 1.00 15.00 C ATOM 136 C MET A 179 0.214 2.113 5.027 1.00 15.00 C ATOM 137 O MET A 179 -0.155 2.852 5.943 1.00 15.00 O ATOM 138 CB MET A 179 2.533 2.987 4.857 1.00 15.00 C ATOM 139 CG MET A 179 3.360 4.089 4.211 1.00 15.00 C ATOM 140 SD MET A 179 3.950 3.667 2.559 1.00 15.00 S ATOM 141 CE MET A 179 5.081 2.332 2.922 1.00 15.00 C ATOM 0 H MET A 179 0.760 4.576 3.741 1.00 15.00 H new ATOM 0 HA MET A 179 1.544 1.758 3.383 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.221 3.318 5.848 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.166 2.111 4.998 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.760 4.997 4.153 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.216 4.312 4.848 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.388 1.852 1.993 1.00 15.00 H new ATOM 0 HE2 MET A 179 5.959 2.728 3.433 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.587 1.601 3.562 1.00 15.00 H new ATOM 151 N ALA A 180 -0.310 0.910 4.829 1.00 15.00 N ATOM 152 CA ALA A 180 -1.259 0.361 5.784 1.00 15.00 C ATOM 153 C ALA A 180 -1.140 -1.149 5.881 1.00 15.00 C ATOM 154 O ALA A 180 -1.092 -1.854 4.872 1.00 15.00 O ATOM 155 CB ALA A 180 -2.680 0.769 5.438 1.00 15.00 C ATOM 0 H ALA A 180 -0.099 0.308 4.033 1.00 15.00 H new ATOM 0 HA ALA A 180 -1.015 0.776 6.762 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.369 0.345 6.169 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.760 1.856 5.453 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.933 0.400 4.444 1.00 15.00 H new ATOM 161 N LYS A 181 -1.083 -1.633 7.109 1.00 15.00 N ATOM 162 CA LYS A 181 -0.966 -3.055 7.372 1.00 15.00 C ATOM 163 C LYS A 181 -2.149 -3.518 8.212 1.00 15.00 C ATOM 164 O LYS A 181 -2.286 -3.121 9.369 1.00 15.00 O ATOM 165 CB LYS A 181 0.341 -3.347 8.116 1.00 15.00 C ATOM 166 CG LYS A 181 1.574 -2.746 7.459 1.00 15.00 C ATOM 167 CD LYS A 181 2.787 -2.844 8.371 1.00 15.00 C ATOM 168 CE LYS A 181 4.003 -2.147 7.778 1.00 15.00 C ATOM 169 NZ LYS A 181 5.155 -2.170 8.720 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.116 -1.054 7.948 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.961 -3.593 6.424 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.261 -2.965 9.134 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.471 -4.427 8.191 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.778 -3.263 6.521 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.385 -1.701 7.212 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.550 -2.400 9.338 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.022 -3.893 8.551 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.284 -2.634 6.845 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.750 -1.115 7.535 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.968 -1.687 8.286 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.893 -1.683 9.601 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.411 -3.156 8.932 1.00 15.00 H new ATOM 183 N THR A 182 -3.016 -4.328 7.630 1.00 15.00 N ATOM 184 CA THR A 182 -4.171 -4.833 8.356 1.00 15.00 C ATOM 185 C THR A 182 -3.859 -6.192 8.984 1.00 15.00 C ATOM 186 O THR A 182 -3.155 -7.020 8.390 1.00 15.00 O ATOM 187 CB THR A 182 -5.438 -4.905 7.461 1.00 15.00 C ATOM 188 OG1 THR A 182 -6.353 -5.900 7.942 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.090 -5.175 6.003 1.00 15.00 C ATOM 0 H THR A 182 -2.945 -4.649 6.664 1.00 15.00 H new ATOM 0 HA THR A 182 -4.390 -4.126 9.156 1.00 15.00 H new ATOM 0 HB THR A 182 -5.920 -3.929 7.515 1.00 15.00 H new ATOM 0 HG1 THR A 182 -6.244 -6.723 7.422 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.005 -5.218 5.412 1.00 15.00 H new ATOM 0 HG22 THR A 182 -4.452 -4.375 5.627 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.563 -6.126 5.925 1.00 15.00 H new ATOM 197 N SER A 183 -4.394 -6.405 10.192 1.00 15.00 N ATOM 198 CA SER A 183 -4.112 -7.595 10.993 1.00 15.00 C ATOM 199 C SER A 183 -4.522 -8.886 10.280 1.00 15.00 C ATOM 200 O SER A 183 -4.134 -9.979 10.692 1.00 15.00 O ATOM 201 CB SER A 183 -4.814 -7.489 12.345 1.00 15.00 C ATOM 202 OG SER A 183 -6.135 -6.993 12.192 1.00 15.00 O ATOM 0 H SER A 183 -5.037 -5.752 10.640 1.00 15.00 H new ATOM 0 HA SER A 183 -3.033 -7.642 11.143 1.00 15.00 H new ATOM 0 HB2 SER A 183 -4.842 -8.468 12.823 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.248 -6.830 13.003 1.00 15.00 H new ATOM 0 HG SER A 183 -6.566 -6.935 13.070 1.00 15.00 H new ATOM 208 N SER A 184 -5.321 -8.747 9.228 1.00 15.00 N ATOM 209 CA SER A 184 -5.689 -9.869 8.367 1.00 15.00 C ATOM 210 C SER A 184 -4.446 -10.526 7.757 1.00 15.00 C ATOM 211 O SER A 184 -4.511 -11.627 7.213 1.00 15.00 O ATOM 212 CB SER A 184 -6.635 -9.394 7.262 1.00 15.00 C ATOM 213 OG SER A 184 -6.113 -8.249 6.605 1.00 15.00 O ATOM 0 H SER A 184 -5.732 -7.857 8.947 1.00 15.00 H new ATOM 0 HA SER A 184 -6.199 -10.615 8.977 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.787 -10.195 6.539 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.610 -9.160 7.689 1.00 15.00 H new ATOM 0 HG SER A 184 -6.441 -8.223 5.682 1.00 15.00 H new ATOM 219 N GLY A 185 -3.318 -9.828 7.842 1.00 15.00 N ATOM 220 CA GLY A 185 -2.096 -10.291 7.224 1.00 15.00 C ATOM 221 C GLY A 185 -1.970 -9.772 5.815 1.00 15.00 C ATOM 222 O GLY A 185 -1.231 -10.319 4.998 1.00 15.00 O ATOM 0 H GLY A 185 -3.232 -8.939 8.335 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.240 -9.963 7.814 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.079 -11.381 7.216 1.00 15.00 H new ATOM 226 N GLN A 186 -2.688 -8.696 5.539 1.00 15.00 N ATOM 227 CA GLN A 186 -2.641 -8.059 4.236 1.00 15.00 C ATOM 228 C GLN A 186 -1.803 -6.793 4.301 1.00 15.00 C ATOM 229 O GLN A 186 -2.192 -5.804 4.926 1.00 15.00 O ATOM 230 CB GLN A 186 -4.054 -7.746 3.732 1.00 15.00 C ATOM 231 CG GLN A 186 -4.824 -8.984 3.303 1.00 15.00 C ATOM 232 CD GLN A 186 -6.286 -8.701 3.004 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.858 -7.726 3.694 1.00 15.00 O flip ATOM 234 NE2 GLN A 186 -6.903 -9.369 2.172 1.00 15.00 N flip ATOM 0 H GLN A 186 -3.314 -8.244 6.206 1.00 15.00 H new ATOM 0 HA GLN A 186 -2.177 -8.749 3.531 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.609 -7.235 4.519 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.988 -7.057 2.890 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.353 -9.408 2.416 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.759 -9.736 4.089 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.427 -10.112 1.660 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.889 -9.179 1.995 1.00 15.00 H new ATOM 243 N ARG A 187 -0.633 -6.852 3.695 1.00 15.00 N ATOM 244 CA ARG A 187 0.245 -5.701 3.614 1.00 15.00 C ATOM 245 C ARG A 187 0.108 -5.077 2.228 1.00 15.00 C ATOM 246 O ARG A 187 0.330 -5.747 1.221 1.00 15.00 O ATOM 247 CB ARG A 187 1.701 -6.117 3.894 1.00 15.00 C ATOM 248 CG ARG A 187 2.251 -7.150 2.920 1.00 15.00 C ATOM 249 CD ARG A 187 3.538 -7.784 3.418 1.00 15.00 C ATOM 250 NE ARG A 187 4.628 -6.822 3.586 1.00 15.00 N ATOM 251 CZ ARG A 187 5.857 -7.161 3.983 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.158 -8.436 4.213 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.795 -6.237 4.132 1.00 15.00 N ATOM 0 H ARG A 187 -0.266 -7.692 3.248 1.00 15.00 H new ATOM 0 HA ARG A 187 -0.036 -4.965 4.367 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.334 -5.230 3.862 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.765 -6.517 4.906 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.504 -7.928 2.759 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.432 -6.676 1.955 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.347 -8.277 4.371 1.00 15.00 H new ATOM 0 HD3 ARG A 187 3.850 -8.557 2.716 1.00 15.00 H new ATOM 0 HE ARG A 187 4.439 -5.839 3.389 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.449 -9.158 4.086 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.098 -8.691 4.516 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.581 -5.258 3.943 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.731 -6.505 4.436 1.00 15.00 H new ATOM 267 N TYR A 188 -0.297 -3.819 2.161 1.00 15.00 N ATOM 268 CA TYR A 188 -0.466 -3.167 0.881 1.00 15.00 C ATOM 269 C TYR A 188 0.090 -1.755 0.928 1.00 15.00 C ATOM 270 O TYR A 188 0.065 -1.079 1.975 1.00 15.00 O ATOM 271 CB TYR A 188 -1.944 -3.167 0.455 1.00 15.00 C ATOM 272 CG TYR A 188 -2.878 -2.455 1.408 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.852 -1.073 1.538 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.791 -3.168 2.172 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.701 -0.424 2.405 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.646 -2.521 3.041 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.594 -1.155 3.155 1.00 15.00 C ATOM 278 OH TYR A 188 -5.442 -0.518 4.026 1.00 15.00 O ATOM 0 H TYR A 188 -0.512 -3.237 2.971 1.00 15.00 H new ATOM 0 HA TYR A 188 0.094 -3.728 0.133 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.025 -2.701 -0.527 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.276 -4.199 0.346 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.154 -0.497 0.949 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.833 -4.244 2.085 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.667 0.652 2.496 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.353 -3.088 3.629 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.007 -1.180 4.475 1.00 15.00 H new ATOM 288 N PHE A 189 0.585 -1.319 -0.212 1.00 15.00 N ATOM 289 CA PHE A 189 1.162 -0.003 -0.343 1.00 15.00 C ATOM 290 C PHE A 189 0.646 0.651 -1.619 1.00 15.00 C ATOM 291 O PHE A 189 0.772 0.098 -2.710 1.00 15.00 O ATOM 292 CB PHE A 189 2.692 -0.101 -0.360 1.00 15.00 C ATOM 293 CG PHE A 189 3.256 -0.893 0.786 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.396 -0.316 2.033 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.640 -2.213 0.618 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.907 -1.034 3.096 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.149 -2.939 1.677 1.00 15.00 C ATOM 298 CZ PHE A 189 4.284 -2.347 2.919 1.00 15.00 C ATOM 0 H PHE A 189 0.597 -1.869 -1.071 1.00 15.00 H new ATOM 0 HA PHE A 189 0.870 0.612 0.509 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.008 -0.558 -1.298 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.113 0.904 -0.338 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.101 0.713 2.179 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.540 -2.679 -0.351 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.011 -0.567 4.064 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.441 -3.969 1.535 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.684 -2.912 3.748 1.00 15.00 H new ATOM 308 N LEU A 190 0.053 1.822 -1.478 1.00 15.00 N ATOM 309 CA LEU A 190 -0.499 2.540 -2.620 1.00 15.00 C ATOM 310 C LEU A 190 0.542 3.454 -3.237 1.00 15.00 C ATOM 311 O LEU A 190 1.293 4.103 -2.518 1.00 15.00 O ATOM 312 CB LEU A 190 -1.655 3.440 -2.192 1.00 15.00 C ATOM 313 CG LEU A 190 -3.063 2.862 -2.205 1.00 15.00 C ATOM 314 CD1 LEU A 190 -4.026 3.956 -2.628 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.170 1.653 -3.121 1.00 15.00 C ATOM 0 H LEU A 190 -0.061 2.300 -0.584 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.832 1.783 -3.331 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.448 3.788 -1.180 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.650 4.318 -2.838 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.315 2.512 -1.204 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.042 3.561 -2.643 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.969 4.784 -1.921 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.759 4.310 -3.624 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.191 1.271 -3.101 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.911 1.944 -4.139 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.485 0.876 -2.780 1.00 15.00 H new ATOM 327 N ASN A 191 0.562 3.558 -4.551 1.00 15.00 N ATOM 328 CA ASN A 191 1.307 4.623 -5.178 1.00 15.00 C ATOM 329 C ASN A 191 0.366 5.797 -5.369 1.00 15.00 C ATOM 330 O ASN A 191 -0.445 5.798 -6.301 1.00 15.00 O ATOM 331 CB ASN A 191 1.894 4.222 -6.534 1.00 15.00 C ATOM 332 CG ASN A 191 2.798 3.005 -6.483 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.522 2.034 -5.780 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.887 3.052 -7.234 1.00 15.00 N ATOM 0 H ASN A 191 0.079 2.929 -5.193 1.00 15.00 H new ATOM 0 HA ASN A 191 2.149 4.875 -4.533 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.077 4.025 -7.228 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.458 5.063 -6.937 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.534 2.264 -7.244 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.079 3.877 -7.803 1.00 15.00 H new ATOM 341 N HIS A 192 0.438 6.773 -4.461 1.00 15.00 N ATOM 342 CA HIS A 192 -0.444 7.939 -4.524 1.00 15.00 C ATOM 343 C HIS A 192 -0.096 8.808 -5.724 1.00 15.00 C ATOM 344 O HIS A 192 -0.856 9.692 -6.106 1.00 15.00 O ATOM 345 CB HIS A 192 -0.388 8.769 -3.232 1.00 15.00 C ATOM 346 CG HIS A 192 -1.496 8.461 -2.258 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.706 9.121 -2.255 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.565 7.569 -1.244 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.463 8.650 -1.286 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.800 7.710 -0.652 1.00 15.00 N ATOM 0 H HIS A 192 1.093 6.779 -3.679 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.463 7.570 -4.636 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.571 8.597 -2.743 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.428 9.827 -3.490 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.792 6.873 -0.952 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.464 8.982 -1.051 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.143 7.174 0.145 1.00 15.00 H new ATOM 359 N ILE A 193 1.063 8.547 -6.310 1.00 15.00 N ATOM 360 CA ILE A 193 1.512 9.281 -7.481 1.00 15.00 C ATOM 361 C ILE A 193 1.142 8.537 -8.766 1.00 15.00 C ATOM 362 O ILE A 193 0.812 9.152 -9.781 1.00 15.00 O ATOM 363 CB ILE A 193 3.043 9.501 -7.442 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.455 10.138 -6.109 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.495 10.369 -8.610 1.00 15.00 C ATOM 366 CD1 ILE A 193 4.955 10.283 -5.936 1.00 15.00 C ATOM 0 H ILE A 193 1.712 7.828 -5.991 1.00 15.00 H new ATOM 0 HA ILE A 193 1.012 10.249 -7.471 1.00 15.00 H new ATOM 0 HB ILE A 193 3.531 8.531 -7.531 1.00 15.00 H new ATOM 0 HG12 ILE A 193 2.993 11.122 -6.029 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.061 9.534 -5.292 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.575 10.510 -8.562 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.234 9.880 -9.549 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.000 11.338 -8.556 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.167 10.741 -4.970 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.423 9.300 -5.982 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.354 10.913 -6.731 1.00 15.00 H new ATOM 378 N ASP A 194 1.178 7.210 -8.705 1.00 15.00 N ATOM 379 CA ASP A 194 0.988 6.383 -9.896 1.00 15.00 C ATOM 380 C ASP A 194 -0.451 5.899 -10.039 1.00 15.00 C ATOM 381 O ASP A 194 -0.824 5.390 -11.097 1.00 15.00 O ATOM 382 CB ASP A 194 1.925 5.173 -9.873 1.00 15.00 C ATOM 383 CG ASP A 194 3.386 5.564 -9.806 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.927 6.039 -10.830 1.00 15.00 O ATOM 385 OD2 ASP A 194 3.999 5.393 -8.733 1.00 15.00 O1- ATOM 0 H ASP A 194 1.337 6.683 -7.846 1.00 15.00 H new ATOM 0 HA ASP A 194 1.223 7.015 -10.753 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.681 4.547 -9.015 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.755 4.571 -10.765 1.00 15.00 H new ATOM 390 N GLN A 195 -1.236 6.016 -8.961 1.00 15.00 N ATOM 391 CA GLN A 195 -2.633 5.561 -8.959 1.00 15.00 C ATOM 392 C GLN A 195 -2.681 4.032 -8.988 1.00 15.00 C ATOM 393 O GLN A 195 -3.630 3.419 -9.474 1.00 15.00 O ATOM 394 CB GLN A 195 -3.400 6.183 -10.151 1.00 15.00 C ATOM 395 CG GLN A 195 -4.880 5.824 -10.213 1.00 15.00 C ATOM 396 CD GLN A 195 -5.609 6.511 -11.351 1.00 15.00 C ATOM 397 OE1 GLN A 195 -5.017 6.837 -12.381 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.905 6.717 -11.183 1.00 15.00 N ATOM 0 H GLN A 195 -0.928 6.422 -8.078 1.00 15.00 H new ATOM 0 HA GLN A 195 -3.124 5.894 -8.044 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.305 7.268 -10.100 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.924 5.864 -11.078 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.982 4.744 -10.323 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.354 6.095 -9.269 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -7.358 6.432 -10.315 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.451 7.160 -11.922 1.00 15.00 H new ATOM 407 N THR A 196 -1.678 3.412 -8.391 1.00 15.00 N ATOM 408 CA THR A 196 -1.580 1.964 -8.425 1.00 15.00 C ATOM 409 C THR A 196 -1.625 1.361 -7.028 1.00 15.00 C ATOM 410 O THR A 196 -1.212 1.988 -6.049 1.00 15.00 O ATOM 411 CB THR A 196 -0.297 1.500 -9.143 1.00 15.00 C ATOM 412 OG1 THR A 196 0.840 2.157 -8.580 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.356 1.794 -10.632 1.00 15.00 C ATOM 0 H THR A 196 -0.929 3.882 -7.883 1.00 15.00 H new ATOM 0 HA THR A 196 -2.446 1.610 -8.985 1.00 15.00 H new ATOM 0 HB THR A 196 -0.212 0.422 -9.007 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.652 1.857 -9.039 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.564 1.454 -11.107 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.206 1.272 -11.072 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.469 2.867 -10.787 1.00 15.00 H new ATOM 421 N THR A 197 -2.148 0.148 -6.942 1.00 15.00 N ATOM 422 CA THR A 197 -2.218 -0.572 -5.685 1.00 15.00 C ATOM 423 C THR A 197 -1.175 -1.688 -5.655 1.00 15.00 C ATOM 424 O THR A 197 -1.288 -2.671 -6.387 1.00 15.00 O ATOM 425 CB THR A 197 -3.619 -1.174 -5.485 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.616 -0.175 -5.749 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.787 -1.694 -4.066 1.00 15.00 C ATOM 0 H THR A 197 -2.533 -0.361 -7.738 1.00 15.00 H new ATOM 0 HA THR A 197 -2.015 0.132 -4.878 1.00 15.00 H new ATOM 0 HB THR A 197 -3.738 -2.007 -6.178 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.508 -0.561 -5.623 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.786 -2.115 -3.949 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.043 -2.466 -3.871 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.654 -0.874 -3.360 1.00 15.00 H new ATOM 435 N THR A 198 -0.164 -1.526 -4.816 1.00 15.00 N ATOM 436 CA THR A 198 0.942 -2.467 -4.750 1.00 15.00 C ATOM 437 C THR A 198 0.764 -3.459 -3.587 1.00 15.00 C ATOM 438 O THR A 198 0.467 -3.054 -2.463 1.00 15.00 O ATOM 439 CB THR A 198 2.267 -1.690 -4.593 1.00 15.00 C ATOM 440 OG1 THR A 198 2.466 -0.850 -5.741 1.00 15.00 O ATOM 441 CG2 THR A 198 3.463 -2.617 -4.422 1.00 15.00 C ATOM 0 H THR A 198 -0.087 -0.744 -4.166 1.00 15.00 H new ATOM 0 HA THR A 198 0.963 -3.043 -5.675 1.00 15.00 H new ATOM 0 HB THR A 198 2.192 -1.086 -3.689 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.436 0.091 -5.467 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.371 -2.024 -4.316 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.324 -3.230 -3.532 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.551 -3.262 -5.296 1.00 15.00 H new ATOM 449 N TRP A 199 0.926 -4.757 -3.869 1.00 15.00 N ATOM 450 CA TRP A 199 0.832 -5.791 -2.840 1.00 15.00 C ATOM 451 C TRP A 199 2.187 -6.026 -2.181 1.00 15.00 C ATOM 452 O TRP A 199 2.288 -6.189 -0.968 1.00 15.00 O ATOM 453 CB TRP A 199 0.380 -7.126 -3.442 1.00 15.00 C ATOM 454 CG TRP A 199 -1.097 -7.407 -3.445 1.00 15.00 C ATOM 455 CD1 TRP A 199 -1.826 -7.856 -4.511 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.029 -7.279 -2.357 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.126 -8.066 -4.146 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.274 -7.722 -2.839 1.00 15.00 C ATOM 459 CE3 TRP A 199 -1.949 -6.854 -1.021 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.400 -7.764 -2.050 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.109 -6.875 -0.253 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.313 -7.347 -0.793 1.00 15.00 C ATOM 0 H TRP A 199 1.123 -5.114 -4.804 1.00 15.00 H new ATOM 0 HA TRP A 199 0.106 -5.440 -2.107 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.736 -7.171 -4.471 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.877 -7.929 -2.897 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.430 -8.021 -5.502 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -3.864 -8.422 -4.754 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.012 -6.520 -0.601 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.336 -8.129 -2.446 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.081 -6.525 0.768 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.194 -7.372 -0.169 1.00 15.00 H new ATOM 473 N GLN A 200 3.226 -6.075 -3.003 1.00 15.00 N ATOM 474 CA GLN A 200 4.540 -6.496 -2.544 1.00 15.00 C ATOM 475 C GLN A 200 5.352 -5.309 -2.046 1.00 15.00 C ATOM 476 O GLN A 200 5.536 -4.326 -2.762 1.00 15.00 O ATOM 477 CB GLN A 200 5.283 -7.207 -3.676 1.00 15.00 C ATOM 478 CG GLN A 200 6.461 -8.039 -3.200 1.00 15.00 C ATOM 479 CD GLN A 200 6.038 -9.209 -2.329 1.00 15.00 C ATOM 480 OE1 GLN A 200 4.859 -9.757 -2.591 1.00 15.00 O flip ATOM 481 NE2 GLN A 200 6.773 -9.626 -1.434 1.00 15.00 N flip ATOM 0 H GLN A 200 3.183 -5.828 -3.992 1.00 15.00 H new ATOM 0 HA GLN A 200 4.408 -7.187 -1.711 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.585 -7.852 -4.209 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.638 -6.464 -4.390 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.009 -8.414 -4.065 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.147 -7.403 -2.640 1.00 15.00 H new ATOM 0 HE21 GLN A 200 7.673 -9.178 -1.263 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.482 -10.420 -0.863 1.00 15.00 H new ATOM 490 N ASP A 201 5.846 -5.432 -0.819 1.00 15.00 N ATOM 491 CA ASP A 201 6.617 -4.375 -0.167 1.00 15.00 C ATOM 492 C ASP A 201 7.772 -3.908 -1.051 1.00 15.00 C ATOM 493 O ASP A 201 8.679 -4.686 -1.363 1.00 15.00 O ATOM 494 CB ASP A 201 7.167 -4.881 1.168 1.00 15.00 C ATOM 495 CG ASP A 201 7.622 -3.762 2.087 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.451 -2.932 1.664 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.144 -3.713 3.245 1.00 15.00 O ATOM 0 H ASP A 201 5.724 -6.267 -0.246 1.00 15.00 H new ATOM 0 HA ASP A 201 5.952 -3.529 0.005 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.399 -5.467 1.672 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.006 -5.551 0.978 1.00 15.00 H new ATOM 502 N PRO A 202 7.738 -2.632 -1.482 1.00 15.00 N ATOM 503 CA PRO A 202 8.783 -2.038 -2.325 1.00 15.00 C ATOM 504 C PRO A 202 10.186 -2.104 -1.713 1.00 15.00 C ATOM 505 O PRO A 202 11.178 -1.874 -2.406 1.00 15.00 O ATOM 506 CB PRO A 202 8.349 -0.574 -2.503 1.00 15.00 C ATOM 507 CG PRO A 202 7.248 -0.342 -1.519 1.00 15.00 C ATOM 508 CD PRO A 202 6.643 -1.682 -1.218 1.00 15.00 C ATOM 0 HA PRO A 202 8.869 -2.589 -3.262 1.00 15.00 H new ATOM 0 HB2 PRO A 202 9.183 0.104 -2.321 1.00 15.00 H new ATOM 0 HB3 PRO A 202 8.006 -0.391 -3.521 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.633 0.121 -0.610 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.500 0.336 -1.929 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.301 -1.743 -0.185 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.779 -1.882 -1.852 1.00 15.00 H new ATOM 609 N PRO B 207 -8.882 -9.005 -3.718 1.00 15.00 N ATOM 610 CA PRO B 207 -8.824 -7.590 -4.117 1.00 15.00 C ATOM 611 C PRO B 207 -8.529 -6.649 -2.953 1.00 15.00 C ATOM 612 O PRO B 207 -9.198 -6.688 -1.916 1.00 15.00 O ATOM 613 CB PRO B 207 -10.222 -7.326 -4.671 1.00 15.00 C ATOM 614 CG PRO B 207 -10.683 -8.649 -5.173 1.00 15.00 C ATOM 615 CD PRO B 207 -10.083 -9.677 -4.252 1.00 15.00 C ATOM 0 HA PRO B 207 -8.018 -7.408 -4.828 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.888 -6.941 -3.899 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.198 -6.585 -5.470 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.771 -8.710 -5.169 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.359 -8.810 -6.201 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.774 -9.955 -3.456 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.827 -10.592 -4.785 1.00 15.00 H new ATOM 623 N PRO B 208 -7.538 -5.765 -3.141 1.00 15.00 N ATOM 624 CA PRO B 208 -6.972 -4.902 -2.117 1.00 15.00 C ATOM 625 C PRO B 208 -7.710 -3.555 -2.101 1.00 15.00 C ATOM 626 O PRO B 208 -8.640 -3.350 -2.888 1.00 15.00 O ATOM 627 CB PRO B 208 -5.496 -4.752 -2.614 1.00 15.00 C ATOM 628 CG PRO B 208 -5.465 -5.458 -3.945 1.00 15.00 C ATOM 629 CD PRO B 208 -6.881 -5.419 -4.382 1.00 15.00 C ATOM 0 HA PRO B 208 -7.046 -5.284 -1.099 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.217 -3.703 -2.716 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.794 -5.201 -1.911 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.811 -4.951 -4.654 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.101 -6.481 -3.850 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.176 -4.436 -4.750 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.091 -6.134 -5.178 1.00 15.00 H new ATOM 637 N PRO B 209 -7.315 -2.624 -1.216 1.00 15.00 N ATOM 638 CA PRO B 209 -7.961 -1.308 -1.067 1.00 15.00 C ATOM 639 C PRO B 209 -8.179 -0.573 -2.383 1.00 15.00 C ATOM 640 O PRO B 209 -7.301 -0.555 -3.249 1.00 15.00 O ATOM 641 CB PRO B 209 -6.937 -0.500 -0.256 1.00 15.00 C ATOM 642 CG PRO B 209 -5.722 -1.356 -0.172 1.00 15.00 C ATOM 643 CD PRO B 209 -6.211 -2.763 -0.274 1.00 15.00 C ATOM 0 HA PRO B 209 -8.947 -1.427 -0.619 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.714 0.449 -0.743 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.321 -0.267 0.737 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.024 -1.125 -0.977 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.192 -1.193 0.766 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.440 -3.439 -0.644 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.541 -3.153 0.689 1.00 15.00 H new ATOM 651 N PRO B 210 -9.354 0.051 -2.538 1.00 15.00 N ATOM 652 CA PRO B 210 -9.609 0.983 -3.631 1.00 15.00 C ATOM 653 C PRO B 210 -8.677 2.186 -3.530 1.00 15.00 C ATOM 654 O PRO B 210 -8.511 2.761 -2.453 1.00 15.00 O ATOM 655 CB PRO B 210 -11.067 1.414 -3.422 1.00 15.00 C ATOM 656 CG PRO B 210 -11.657 0.375 -2.529 1.00 15.00 C ATOM 657 CD PRO B 210 -10.528 -0.108 -1.664 1.00 15.00 C ATOM 0 HA PRO B 210 -9.440 0.539 -4.612 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.124 2.403 -2.967 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.602 1.468 -4.370 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.463 0.791 -1.924 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.083 -0.443 -3.109 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.436 0.482 -0.752 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.667 -1.145 -1.359 1.00 15.00 H new ATOM 665 N TYR B 211 -8.094 2.568 -4.652 1.00 15.00 N ATOM 666 CA TYR B 211 -7.079 3.616 -4.693 1.00 15.00 C ATOM 667 C TYR B 211 -7.625 5.005 -4.312 1.00 15.00 C ATOM 668 O TYR B 211 -6.844 5.927 -4.073 1.00 15.00 O ATOM 669 CB TYR B 211 -6.391 3.655 -6.077 1.00 15.00 C ATOM 670 CG TYR B 211 -5.588 4.916 -6.306 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.298 5.028 -5.820 1.00 15.00 C ATOM 672 CD2 TYR B 211 -6.136 6.008 -6.973 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.571 6.187 -5.984 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.413 7.172 -7.149 1.00 15.00 C ATOM 675 CZ TYR B 211 -4.131 7.259 -6.650 1.00 15.00 C ATOM 676 OH TYR B 211 -3.409 8.423 -6.819 1.00 15.00 O ATOM 0 H TYR B 211 -8.308 2.163 -5.563 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.339 3.360 -3.935 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.734 2.791 -6.174 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.149 3.568 -6.855 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.852 4.192 -5.302 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.143 5.944 -7.359 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.567 6.257 -5.593 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.850 8.009 -7.674 1.00 15.00 H new ATOM 0 HH TYR B 211 -2.702 8.470 -6.142 1.00 15.00 H new ATOM 686 N SER B 212 -8.941 5.144 -4.179 1.00 15.00 N ATOM 687 CA SER B 212 -9.582 6.448 -4.329 1.00 15.00 C ATOM 688 C SER B 212 -9.048 7.482 -3.328 1.00 15.00 C ATOM 689 O SER B 212 -8.352 8.410 -3.740 1.00 15.00 O ATOM 690 CB SER B 212 -11.089 6.281 -4.133 1.00 15.00 C ATOM 691 OG SER B 212 -11.532 5.034 -4.648 1.00 15.00 O ATOM 0 H SER B 212 -9.580 4.377 -3.969 1.00 15.00 H new ATOM 0 HA SER B 212 -9.357 6.820 -5.329 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.331 6.348 -3.072 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.617 7.093 -4.632 1.00 15.00 H new ATOM 0 HG SER B 212 -12.498 4.948 -4.510 1.00 15.00 H new ATOM 697 N ARG B 213 -9.344 7.366 -2.036 1.00 15.00 N ATOM 698 CA ARG B 213 -8.658 8.236 -1.086 1.00 15.00 C ATOM 699 C ARG B 213 -7.876 7.460 -0.032 1.00 15.00 C ATOM 700 O ARG B 213 -6.646 7.424 -0.060 1.00 15.00 O ATOM 701 CB ARG B 213 -9.657 9.184 -0.409 1.00 15.00 C ATOM 702 CG ARG B 213 -10.178 10.275 -1.334 1.00 15.00 C ATOM 703 CD ARG B 213 -9.048 11.170 -1.820 1.00 15.00 C ATOM 704 NE ARG B 213 -9.494 12.137 -2.823 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.670 12.793 -3.639 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.358 12.617 -3.541 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.156 13.627 -4.548 1.00 15.00 N ATOM 0 H ARG B 213 -10.019 6.713 -1.637 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.934 8.816 -1.659 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.500 8.604 -0.033 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.179 9.647 0.454 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.680 9.822 -2.189 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.921 10.876 -0.810 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.620 11.703 -0.971 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.255 10.553 -2.242 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.494 12.320 -2.902 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.980 11.979 -2.841 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.728 13.120 -4.166 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.163 13.768 -4.624 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.523 14.128 -5.171 1.00 15.00 H new ATOM 721 N TYR B 214 -8.601 6.821 0.881 1.00 15.00 N ATOM 722 CA TYR B 214 -7.984 6.081 1.980 1.00 15.00 C ATOM 723 C TYR B 214 -8.388 4.610 1.964 1.00 15.00 C ATOM 724 O TYR B 214 -9.577 4.293 1.892 1.00 15.00 O ATOM 725 CB TYR B 214 -8.339 6.731 3.323 1.00 15.00 C ATOM 726 CG TYR B 214 -7.481 7.942 3.662 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.133 8.872 2.688 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.014 8.150 4.956 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.350 9.967 2.984 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.228 9.247 5.264 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.899 10.152 4.273 1.00 15.00 C ATOM 732 OH TYR B 214 -5.125 11.249 4.571 1.00 15.00 O ATOM 0 H TYR B 214 -9.621 6.800 0.882 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.903 6.121 1.847 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.386 7.032 3.305 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.234 5.989 4.115 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.484 8.733 1.676 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.269 7.444 5.733 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.092 10.675 2.211 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.874 9.395 6.273 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.890 11.235 5.522 1.00 15.00 H new ATOM 742 N PRO B 215 -7.415 3.693 2.047 1.00 15.00 N ATOM 743 CA PRO B 215 -7.689 2.256 2.147 1.00 15.00 C ATOM 744 C PRO B 215 -8.288 1.857 3.493 1.00 15.00 C ATOM 745 O PRO B 215 -9.471 1.521 3.587 1.00 15.00 O ATOM 746 CB PRO B 215 -6.307 1.610 1.990 1.00 15.00 C ATOM 747 CG PRO B 215 -5.417 2.684 1.475 1.00 15.00 C ATOM 748 CD PRO B 215 -5.976 3.972 2.002 1.00 15.00 C ATOM 0 HA PRO B 215 -8.419 1.944 1.400 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.944 1.225 2.943 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.345 0.768 1.299 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.391 2.536 1.813 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.396 2.685 0.385 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.578 4.215 2.987 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.745 4.813 1.348 1.00 15.00 H new