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= 0.693 K(o=1.3,f=-6.3!) USER MOD Set 1.2: A 198 THR OG1 : rot 121:sc= 0.603 USER MOD Set 2.1: A 182 THR OG1 : rot 60:sc= -1.92 USER MOD Set 2.2: A 186 GLN : amide:sc= 0.0156 K(o=-1.9,f=-3.9!) USER MOD Single : A 179 MET CE :methyl -176:sc= -7.36! (180deg=-7.68!) USER MOD Single : A 181 LYS NZ :NH3+ 169:sc=-0.000112 (180deg=-0.0894) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot -17:sc= 0.265 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 192 HIS : no HD1:sc= -0.976! C(o=-0.98!,f=-5.1!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0.273 K(o=0.27,f=-4.9!) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0394 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0003 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.107 3.651 5.796 1.00 15.00 N ATOM 46 CA LEU A 173 8.023 3.691 4.837 1.00 15.00 C ATOM 47 C LEU A 173 8.374 4.701 3.745 1.00 15.00 C ATOM 48 O LEU A 173 8.571 5.883 4.041 1.00 15.00 O ATOM 49 CB LEU A 173 6.715 4.097 5.528 1.00 15.00 C ATOM 50 CG LEU A 173 6.258 3.202 6.692 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.113 3.861 7.443 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.827 1.824 6.199 1.00 15.00 C ATOM 0 HA LEU A 173 7.885 2.703 4.399 1.00 15.00 H new ATOM 0 HB2 LEU A 173 6.826 5.115 5.901 1.00 15.00 H new ATOM 0 HB3 LEU A 173 5.923 4.117 4.779 1.00 15.00 H new ATOM 0 HG LEU A 173 7.106 3.073 7.365 1.00 15.00 H new ATOM 0 HD11 LEU A 173 4.799 3.217 8.265 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.443 4.821 7.840 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.275 4.018 6.764 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.510 1.217 7.047 1.00 15.00 H new ATOM 0 HD22 LEU A 173 4.998 1.931 5.499 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.664 1.338 5.698 1.00 15.00 H new ATOM 64 N PRO A 174 8.524 4.238 2.490 1.00 15.00 N ATOM 65 CA PRO A 174 8.813 5.112 1.341 1.00 15.00 C ATOM 66 C PRO A 174 7.846 6.292 1.233 1.00 15.00 C ATOM 67 O PRO A 174 6.694 6.216 1.665 1.00 15.00 O ATOM 68 CB PRO A 174 8.653 4.175 0.141 1.00 15.00 C ATOM 69 CG PRO A 174 8.954 2.822 0.676 1.00 15.00 C ATOM 70 CD PRO A 174 8.453 2.820 2.093 1.00 15.00 C ATOM 0 HA PRO A 174 9.799 5.571 1.419 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.644 4.224 -0.268 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.336 4.443 -0.665 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.461 2.050 0.086 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.024 2.616 0.639 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.435 2.437 2.157 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.071 2.193 2.735 1.00 15.00 H new ATOM 78 N ALA A 175 8.312 7.369 0.616 1.00 15.00 N ATOM 79 CA ALA A 175 7.548 8.603 0.544 1.00 15.00 C ATOM 80 C ALA A 175 6.660 8.628 -0.692 1.00 15.00 C ATOM 81 O ALA A 175 7.097 8.279 -1.790 1.00 15.00 O ATOM 82 CB ALA A 175 8.489 9.795 0.551 1.00 15.00 C ATOM 0 H ALA A 175 9.221 7.411 0.156 1.00 15.00 H new ATOM 0 HA ALA A 175 6.900 8.658 1.418 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.909 10.716 0.497 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.077 9.789 1.469 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.158 9.736 -0.308 1.00 15.00 H new ATOM 88 N GLY A 176 5.415 9.043 -0.503 1.00 15.00 N ATOM 89 CA GLY A 176 4.452 9.039 -1.587 1.00 15.00 C ATOM 90 C GLY A 176 3.743 7.707 -1.685 1.00 15.00 C ATOM 91 O GLY A 176 3.077 7.408 -2.680 1.00 15.00 O ATOM 0 H GLY A 176 5.053 9.384 0.387 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.721 9.832 -1.430 1.00 15.00 H new ATOM 0 HA3 GLY A 176 4.959 9.254 -2.528 1.00 15.00 H new ATOM 95 N TRP A 177 3.874 6.915 -0.631 1.00 15.00 N ATOM 96 CA TRP A 177 3.275 5.595 -0.571 1.00 15.00 C ATOM 97 C TRP A 177 2.290 5.520 0.588 1.00 15.00 C ATOM 98 O TRP A 177 2.558 6.031 1.675 1.00 15.00 O ATOM 99 CB TRP A 177 4.358 4.525 -0.391 1.00 15.00 C ATOM 100 CG TRP A 177 5.241 4.330 -1.588 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.257 5.140 -2.001 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.201 3.238 -2.511 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.840 4.629 -3.133 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.210 3.461 -3.467 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.406 2.098 -2.627 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.443 2.582 -4.520 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.641 1.225 -3.671 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.652 1.473 -4.605 1.00 15.00 C ATOM 0 H TRP A 177 4.399 7.172 0.205 1.00 15.00 H new ATOM 0 HA TRP A 177 2.747 5.413 -1.507 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.979 4.794 0.463 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.878 3.576 -0.150 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.559 6.052 -1.508 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.616 5.051 -3.643 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.620 1.901 -1.913 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.222 2.770 -5.244 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.034 0.337 -3.768 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.810 0.772 -5.411 1.00 15.00 H new ATOM 119 N GLU A 178 1.158 4.876 0.356 1.00 15.00 N ATOM 120 CA GLU A 178 0.176 4.671 1.407 1.00 15.00 C ATOM 121 C GLU A 178 0.483 3.361 2.109 1.00 15.00 C ATOM 122 O GLU A 178 0.303 2.285 1.538 1.00 15.00 O ATOM 123 CB GLU A 178 -1.241 4.635 0.833 1.00 15.00 C ATOM 124 CG GLU A 178 -2.329 4.758 1.882 1.00 15.00 C ATOM 125 CD GLU A 178 -2.251 6.070 2.626 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.759 7.081 2.099 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.664 6.097 3.726 1.00 15.00 O1- ATOM 0 H GLU A 178 0.897 4.487 -0.550 1.00 15.00 H new ATOM 0 HA GLU A 178 0.230 5.499 2.114 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.352 5.445 0.112 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.379 3.701 0.288 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.305 4.669 1.404 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.245 3.934 2.590 1.00 15.00 H new ATOM 134 N MET A 179 0.970 3.456 3.334 1.00 15.00 N ATOM 135 CA MET A 179 1.481 2.290 4.037 1.00 15.00 C ATOM 136 C MET A 179 0.529 1.865 5.139 1.00 15.00 C ATOM 137 O MET A 179 0.404 2.549 6.155 1.00 15.00 O ATOM 138 CB MET A 179 2.855 2.595 4.640 1.00 15.00 C ATOM 139 CG MET A 179 3.762 3.406 3.723 1.00 15.00 C ATOM 140 SD MET A 179 4.247 2.524 2.229 1.00 15.00 S ATOM 141 CE MET A 179 5.546 1.473 2.861 1.00 15.00 C ATOM 0 H MET A 179 1.023 4.327 3.863 1.00 15.00 H new ATOM 0 HA MET A 179 1.573 1.476 3.318 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.719 3.139 5.575 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.350 1.656 4.887 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.251 4.327 3.442 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.658 3.693 4.273 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.995 0.916 2.039 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.308 2.086 3.343 1.00 15.00 H new ATOM 0 HE3 MET A 179 5.129 0.775 3.587 1.00 15.00 H new ATOM 151 N ALA A 180 -0.159 0.754 4.935 1.00 15.00 N ATOM 152 CA ALA A 180 -1.031 0.213 5.965 1.00 15.00 C ATOM 153 C ALA A 180 -1.113 -1.298 5.851 1.00 15.00 C ATOM 154 O ALA A 180 -1.052 -1.856 4.753 1.00 15.00 O ATOM 155 CB ALA A 180 -2.412 0.843 5.894 1.00 15.00 C ATOM 0 H ALA A 180 -0.132 0.212 4.072 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.605 0.458 6.938 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.045 0.421 6.675 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.328 1.920 6.037 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.855 0.640 4.919 1.00 15.00 H new ATOM 161 N LYS A 181 -1.241 -1.956 6.988 1.00 15.00 N ATOM 162 CA LYS A 181 -1.249 -3.407 7.034 1.00 15.00 C ATOM 163 C LYS A 181 -2.456 -3.890 7.823 1.00 15.00 C ATOM 164 O LYS A 181 -2.727 -3.394 8.918 1.00 15.00 O ATOM 165 CB LYS A 181 0.044 -3.919 7.680 1.00 15.00 C ATOM 166 CG LYS A 181 1.308 -3.342 7.057 1.00 15.00 C ATOM 167 CD LYS A 181 2.559 -3.961 7.654 1.00 15.00 C ATOM 168 CE LYS A 181 3.819 -3.260 7.170 1.00 15.00 C ATOM 169 NZ LYS A 181 3.961 -1.899 7.755 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.341 -1.506 7.898 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.311 -3.796 6.018 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.030 -3.677 8.743 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.074 -5.006 7.601 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.295 -3.514 5.981 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.328 -2.263 7.207 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.508 -3.908 8.742 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.605 -5.017 7.388 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.691 -3.860 7.432 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.798 -3.187 6.083 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 4.912 -1.531 7.552 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 3.249 -1.266 7.338 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 3.821 -1.947 8.784 1.00 15.00 H new ATOM 183 N THR A 182 -3.179 -4.855 7.278 1.00 15.00 N ATOM 184 CA THR A 182 -4.350 -5.388 7.955 1.00 15.00 C ATOM 185 C THR A 182 -3.952 -6.556 8.847 1.00 15.00 C ATOM 186 O THR A 182 -3.008 -7.289 8.533 1.00 15.00 O ATOM 187 CB THR A 182 -5.432 -5.861 6.957 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.969 -6.999 6.218 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.800 -4.749 5.988 1.00 15.00 C ATOM 0 H THR A 182 -2.977 -5.283 6.374 1.00 15.00 H new ATOM 0 HA THR A 182 -4.769 -4.581 8.555 1.00 15.00 H new ATOM 0 HB THR A 182 -6.316 -6.137 7.532 1.00 15.00 H new ATOM 0 HG1 THR A 182 -4.764 -7.730 6.838 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.563 -5.107 5.296 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.186 -3.895 6.544 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.915 -4.447 5.428 1.00 15.00 H new ATOM 197 N SER A 183 -4.672 -6.728 9.955 1.00 15.00 N ATOM 198 CA SER A 183 -4.435 -7.836 10.878 1.00 15.00 C ATOM 199 C SER A 183 -4.623 -9.191 10.190 1.00 15.00 C ATOM 200 O SER A 183 -4.224 -10.229 10.716 1.00 15.00 O ATOM 201 CB SER A 183 -5.361 -7.716 12.087 1.00 15.00 C ATOM 202 OG SER A 183 -5.225 -6.442 12.691 1.00 15.00 O ATOM 0 H SER A 183 -5.431 -6.107 10.236 1.00 15.00 H new ATOM 0 HA SER A 183 -3.400 -7.780 11.214 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.395 -7.870 11.778 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.126 -8.496 12.812 1.00 15.00 H new ATOM 0 HG SER A 183 -5.826 -6.380 13.463 1.00 15.00 H new ATOM 208 N SER A 184 -5.252 -9.166 9.020 1.00 15.00 N ATOM 209 CA SER A 184 -5.411 -10.350 8.186 1.00 15.00 C ATOM 210 C SER A 184 -4.061 -10.794 7.623 1.00 15.00 C ATOM 211 O SER A 184 -3.930 -11.897 7.095 1.00 15.00 O ATOM 212 CB SER A 184 -6.397 -10.078 7.046 1.00 15.00 C ATOM 213 OG SER A 184 -6.582 -11.224 6.230 1.00 15.00 O ATOM 0 H SER A 184 -5.666 -8.323 8.623 1.00 15.00 H new ATOM 0 HA SER A 184 -5.811 -11.153 8.806 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.356 -9.767 7.460 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.030 -9.252 6.436 1.00 15.00 H new ATOM 0 HG SER A 184 -5.852 -11.859 6.387 1.00 15.00 H new ATOM 219 N GLY A 185 -3.072 -9.915 7.713 1.00 15.00 N ATOM 220 CA GLY A 185 -1.769 -10.195 7.155 1.00 15.00 C ATOM 221 C GLY A 185 -1.657 -9.726 5.726 1.00 15.00 C ATOM 222 O GLY A 185 -1.081 -10.404 4.879 1.00 15.00 O ATOM 0 H GLY A 185 -3.153 -9.005 8.167 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.003 -9.707 7.758 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.577 -11.267 7.202 1.00 15.00 H new ATOM 226 N GLN A 186 -2.210 -8.551 5.462 1.00 15.00 N ATOM 227 CA GLN A 186 -2.113 -7.941 4.146 1.00 15.00 C ATOM 228 C GLN A 186 -1.304 -6.661 4.231 1.00 15.00 C ATOM 229 O GLN A 186 -1.763 -5.666 4.798 1.00 15.00 O ATOM 230 CB GLN A 186 -3.500 -7.631 3.580 1.00 15.00 C ATOM 231 CG GLN A 186 -4.359 -8.861 3.351 1.00 15.00 C ATOM 232 CD GLN A 186 -5.810 -8.512 3.093 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.603 -8.386 4.026 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.173 -8.365 1.830 1.00 15.00 N ATOM 0 H GLN A 186 -2.732 -8.001 6.144 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.617 -8.647 3.480 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.019 -6.959 4.264 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.386 -7.099 2.636 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.967 -9.422 2.503 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.294 -9.513 4.222 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.485 -8.478 1.085 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.141 -8.139 1.601 1.00 15.00 H new ATOM 243 N ARG A 187 -0.089 -6.698 3.713 1.00 15.00 N ATOM 244 CA ARG A 187 0.740 -5.509 3.657 1.00 15.00 C ATOM 245 C ARG A 187 0.583 -4.835 2.299 1.00 15.00 C ATOM 246 O ARG A 187 1.234 -5.210 1.328 1.00 15.00 O ATOM 247 CB ARG A 187 2.215 -5.842 3.953 1.00 15.00 C ATOM 248 CG ARG A 187 2.814 -6.926 3.064 1.00 15.00 C ATOM 249 CD ARG A 187 4.171 -7.392 3.573 1.00 15.00 C ATOM 250 NE ARG A 187 5.178 -6.327 3.565 1.00 15.00 N ATOM 251 CZ ARG A 187 6.199 -6.261 4.426 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.324 -7.171 5.388 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 7.099 -5.288 4.327 1.00 15.00 N ATOM 0 H ARG A 187 0.344 -7.537 3.326 1.00 15.00 H new ATOM 0 HA ARG A 187 0.409 -4.815 4.429 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.807 -4.933 3.844 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.301 -6.156 4.993 1.00 15.00 H new ATOM 0 HG2 ARG A 187 2.132 -7.775 3.018 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.918 -6.546 2.048 1.00 15.00 H new ATOM 0 HD2 ARG A 187 4.061 -7.774 4.588 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.520 -8.220 2.956 1.00 15.00 H new ATOM 0 HE ARG A 187 5.095 -5.593 2.861 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.640 -7.923 5.471 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.104 -7.117 6.043 1.00 15.00 H new ATOM 0 HH21 ARG A 187 7.013 -4.587 3.591 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.876 -5.243 4.987 1.00 15.00 H new ATOM 267 N TYR A 188 -0.331 -3.879 2.216 1.00 15.00 N ATOM 268 CA TYR A 188 -0.561 -3.187 0.965 1.00 15.00 C ATOM 269 C TYR A 188 0.116 -1.830 0.990 1.00 15.00 C ATOM 270 O TYR A 188 0.150 -1.144 2.020 1.00 15.00 O ATOM 271 CB TYR A 188 -2.062 -3.042 0.655 1.00 15.00 C ATOM 272 CG TYR A 188 -2.867 -2.259 1.674 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.716 -0.883 1.810 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.795 -2.897 2.484 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.457 -0.171 2.728 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.543 -2.186 3.406 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.367 -0.828 3.525 1.00 15.00 C ATOM 278 OH TYR A 188 -5.113 -0.125 4.442 1.00 15.00 O ATOM 0 H TYR A 188 -0.917 -3.571 2.992 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.126 -3.788 0.166 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.169 -2.559 -0.316 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.494 -4.039 0.565 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.005 -0.363 1.185 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.936 -3.964 2.394 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.325 0.897 2.822 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.262 -2.696 4.030 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.707 -0.740 4.921 1.00 15.00 H new ATOM 288 N PHE A 189 0.657 -1.452 -0.146 1.00 15.00 N ATOM 289 CA PHE A 189 1.312 -0.176 -0.287 1.00 15.00 C ATOM 290 C PHE A 189 0.780 0.527 -1.531 1.00 15.00 C ATOM 291 O PHE A 189 0.858 -0.005 -2.636 1.00 15.00 O ATOM 292 CB PHE A 189 2.831 -0.377 -0.374 1.00 15.00 C ATOM 293 CG PHE A 189 3.391 -1.233 0.734 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.453 -0.750 2.028 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.848 -2.515 0.484 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.960 -1.522 3.053 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.356 -3.293 1.506 1.00 15.00 C ATOM 298 CZ PHE A 189 4.411 -2.795 2.794 1.00 15.00 C ATOM 0 H PHE A 189 0.654 -2.019 -0.994 1.00 15.00 H new ATOM 0 HA PHE A 189 1.103 0.447 0.582 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.074 -0.834 -1.333 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.320 0.597 -0.352 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.099 0.248 2.240 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.807 -2.911 -0.520 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.003 -1.127 4.057 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.711 -4.292 1.298 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.807 -3.403 3.594 1.00 15.00 H new ATOM 308 N LEU A 190 0.209 1.704 -1.348 1.00 15.00 N ATOM 309 CA LEU A 190 -0.320 2.474 -2.467 1.00 15.00 C ATOM 310 C LEU A 190 0.736 3.389 -3.047 1.00 15.00 C ATOM 311 O LEU A 190 1.461 4.037 -2.298 1.00 15.00 O ATOM 312 CB LEU A 190 -1.461 3.382 -2.033 1.00 15.00 C ATOM 313 CG LEU A 190 -2.877 2.832 -2.090 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.797 3.938 -2.591 1.00 15.00 C ATOM 315 CD2 LEU A 190 -2.972 1.599 -2.980 1.00 15.00 C ATOM 0 H LEU A 190 0.098 2.150 -0.437 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.659 1.739 -3.197 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.266 3.695 -1.007 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.427 4.279 -2.652 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.179 2.514 -1.092 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.820 3.566 -2.640 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.752 4.786 -1.908 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.478 4.255 -3.584 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.000 1.238 -2.993 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.665 1.857 -3.994 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.318 0.818 -2.591 1.00 15.00 H new ATOM 327 N ASN A 191 0.792 3.505 -4.360 1.00 15.00 N ATOM 328 CA ASN A 191 1.562 4.567 -4.961 1.00 15.00 C ATOM 329 C ASN A 191 0.648 5.762 -5.127 1.00 15.00 C ATOM 330 O ASN A 191 -0.132 5.809 -6.080 1.00 15.00 O ATOM 331 CB ASN A 191 2.126 4.184 -6.335 1.00 15.00 C ATOM 332 CG ASN A 191 2.941 2.907 -6.341 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.613 1.936 -5.664 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.017 2.903 -7.110 1.00 15.00 N ATOM 0 H ASN A 191 0.320 2.886 -5.019 1.00 15.00 H new ATOM 0 HA ASN A 191 2.410 4.783 -4.312 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.299 4.077 -7.037 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.749 5.001 -6.699 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.608 2.073 -7.156 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.256 3.730 -7.657 1.00 15.00 H new ATOM 341 N HIS A 192 0.711 6.706 -4.186 1.00 15.00 N ATOM 342 CA HIS A 192 -0.112 7.916 -4.262 1.00 15.00 C ATOM 343 C HIS A 192 0.391 8.809 -5.392 1.00 15.00 C ATOM 344 O HIS A 192 -0.170 9.866 -5.671 1.00 15.00 O ATOM 345 CB HIS A 192 -0.088 8.704 -2.943 1.00 15.00 C ATOM 346 CG HIS A 192 -1.246 8.428 -2.021 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.476 9.046 -2.139 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.348 7.614 -0.947 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.275 8.626 -1.177 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.618 7.757 -0.437 1.00 15.00 N ATOM 0 H HIS A 192 1.318 6.658 -3.368 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.140 7.607 -4.454 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.839 8.476 -2.417 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.071 9.769 -3.173 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.574 6.969 -0.559 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.296 8.942 -1.022 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.989 7.270 0.379 1.00 15.00 H new ATOM 359 N ILE A 193 1.478 8.377 -6.016 1.00 15.00 N ATOM 360 CA ILE A 193 2.077 9.092 -7.128 1.00 15.00 C ATOM 361 C ILE A 193 1.720 8.421 -8.455 1.00 15.00 C ATOM 362 O ILE A 193 1.472 9.092 -9.459 1.00 15.00 O ATOM 363 CB ILE A 193 3.609 9.137 -6.969 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.978 9.671 -5.583 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.237 9.996 -8.059 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.443 9.530 -5.242 1.00 15.00 C ATOM 0 H ILE A 193 1.968 7.519 -5.763 1.00 15.00 H new ATOM 0 HA ILE A 193 1.685 10.109 -7.130 1.00 15.00 H new ATOM 0 HB ILE A 193 4.000 8.124 -7.069 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.701 10.724 -5.525 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.388 9.144 -4.833 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.319 10.015 -7.929 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.996 9.577 -9.036 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.846 11.011 -7.993 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.625 9.931 -4.245 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.722 8.477 -5.266 1.00 15.00 H new ATOM 0 HD13 ILE A 193 6.040 10.081 -5.969 1.00 15.00 H new ATOM 378 N ASP A 194 1.685 7.094 -8.448 1.00 15.00 N ATOM 379 CA ASP A 194 1.437 6.323 -9.665 1.00 15.00 C ATOM 380 C ASP A 194 -0.041 5.999 -9.837 1.00 15.00 C ATOM 381 O ASP A 194 -0.456 5.566 -10.912 1.00 15.00 O ATOM 382 CB ASP A 194 2.238 5.018 -9.665 1.00 15.00 C ATOM 383 CG ASP A 194 3.733 5.235 -9.567 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.246 5.343 -8.434 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.401 5.283 -10.616 1.00 15.00 O ATOM 0 H ASP A 194 1.825 6.526 -7.612 1.00 15.00 H new ATOM 0 HA ASP A 194 1.759 6.946 -10.499 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.912 4.399 -8.829 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.017 4.464 -10.577 1.00 15.00 H new ATOM 390 N GLN A 195 -0.823 6.170 -8.764 1.00 15.00 N ATOM 391 CA GLN A 195 -2.252 5.832 -8.769 1.00 15.00 C ATOM 392 C GLN A 195 -2.415 4.316 -8.853 1.00 15.00 C ATOM 393 O GLN A 195 -3.414 3.798 -9.353 1.00 15.00 O ATOM 394 CB GLN A 195 -2.963 6.534 -9.949 1.00 15.00 C ATOM 395 CG GLN A 195 -4.482 6.445 -9.916 1.00 15.00 C ATOM 396 CD GLN A 195 -5.140 7.059 -11.135 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.583 7.046 -12.233 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.332 7.605 -10.953 1.00 15.00 N ATOM 0 H GLN A 195 -0.487 6.543 -7.876 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.713 6.182 -7.845 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.674 7.585 -9.957 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.607 6.098 -10.882 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.777 5.398 -9.840 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.850 6.946 -9.021 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.761 7.596 -10.028 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.821 8.035 -11.738 1.00 15.00 H new ATOM 407 N THR A 196 -1.451 3.603 -8.295 1.00 15.00 N ATOM 408 CA THR A 196 -1.437 2.156 -8.407 1.00 15.00 C ATOM 409 C THR A 196 -1.425 1.487 -7.039 1.00 15.00 C ATOM 410 O THR A 196 -0.926 2.045 -6.059 1.00 15.00 O ATOM 411 CB THR A 196 -0.219 1.661 -9.220 1.00 15.00 C ATOM 412 OG1 THR A 196 0.993 2.092 -8.597 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.257 2.176 -10.648 1.00 15.00 C ATOM 0 H THR A 196 -0.675 3.999 -7.765 1.00 15.00 H new ATOM 0 HA THR A 196 -2.352 1.880 -8.930 1.00 15.00 H new ATOM 0 HB THR A 196 -0.259 0.572 -9.244 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.760 1.773 -9.117 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.614 1.809 -11.191 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.165 1.824 -11.138 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.248 3.266 -10.642 1.00 15.00 H new ATOM 421 N THR A 197 -2.007 0.299 -6.975 1.00 15.00 N ATOM 422 CA THR A 197 -2.005 -0.493 -5.761 1.00 15.00 C ATOM 423 C THR A 197 -0.890 -1.538 -5.820 1.00 15.00 C ATOM 424 O THR A 197 -0.681 -2.172 -6.858 1.00 15.00 O ATOM 425 CB THR A 197 -3.365 -1.188 -5.566 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.422 -0.236 -5.753 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.470 -1.796 -4.176 1.00 15.00 C ATOM 0 H THR A 197 -2.490 -0.138 -7.760 1.00 15.00 H new ATOM 0 HA THR A 197 -1.829 0.171 -4.915 1.00 15.00 H new ATOM 0 HB THR A 197 -3.452 -1.988 -6.301 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.287 -0.680 -5.630 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.440 -2.281 -4.063 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.678 -2.532 -4.040 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.368 -1.011 -3.427 1.00 15.00 H new ATOM 435 N THR A 198 -0.167 -1.697 -4.722 1.00 15.00 N ATOM 436 CA THR A 198 0.960 -2.616 -4.670 1.00 15.00 C ATOM 437 C THR A 198 0.791 -3.636 -3.528 1.00 15.00 C ATOM 438 O THR A 198 0.681 -3.248 -2.362 1.00 15.00 O ATOM 439 CB THR A 198 2.271 -1.824 -4.470 1.00 15.00 C ATOM 440 OG1 THR A 198 2.362 -0.778 -5.449 1.00 15.00 O ATOM 441 CG2 THR A 198 3.488 -2.721 -4.591 1.00 15.00 C ATOM 0 H THR A 198 -0.342 -1.198 -3.850 1.00 15.00 H new ATOM 0 HA THR A 198 1.000 -3.161 -5.613 1.00 15.00 H new ATOM 0 HB THR A 198 2.252 -1.401 -3.466 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.427 0.089 -4.996 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.392 -2.130 -4.445 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.440 -3.504 -3.834 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.508 -3.175 -5.582 1.00 15.00 H new ATOM 449 N TRP A 199 0.739 -4.930 -3.864 1.00 15.00 N ATOM 450 CA TRP A 199 0.678 -5.991 -2.857 1.00 15.00 C ATOM 451 C TRP A 199 2.063 -6.294 -2.290 1.00 15.00 C ATOM 452 O TRP A 199 2.201 -6.710 -1.140 1.00 15.00 O ATOM 453 CB TRP A 199 0.138 -7.291 -3.458 1.00 15.00 C ATOM 454 CG TRP A 199 -1.349 -7.493 -3.402 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.133 -7.934 -4.428 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.235 -7.286 -2.291 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.423 -8.075 -4.015 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.514 -7.681 -2.720 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.089 -6.824 -0.975 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.615 -7.645 -1.900 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.219 -6.764 -0.170 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.464 -7.190 -0.654 1.00 15.00 C ATOM 0 H TRP A 199 0.738 -5.266 -4.827 1.00 15.00 H new ATOM 0 HA TRP A 199 0.016 -5.632 -2.069 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.449 -7.338 -4.502 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.615 -8.127 -2.945 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.780 -8.142 -5.427 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.195 -8.420 -4.586 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.123 -6.523 -0.597 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.580 -7.977 -2.255 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.138 -6.386 0.838 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.324 -7.149 -0.002 1.00 15.00 H new ATOM 473 N GLN A 200 3.081 -6.147 -3.123 1.00 15.00 N ATOM 474 CA GLN A 200 4.439 -6.500 -2.731 1.00 15.00 C ATOM 475 C GLN A 200 5.158 -5.303 -2.136 1.00 15.00 C ATOM 476 O GLN A 200 4.887 -4.164 -2.493 1.00 15.00 O ATOM 477 CB GLN A 200 5.235 -7.056 -3.917 1.00 15.00 C ATOM 478 CG GLN A 200 5.274 -6.148 -5.139 1.00 15.00 C ATOM 479 CD GLN A 200 4.086 -6.344 -6.062 1.00 15.00 C ATOM 480 OE1 GLN A 200 3.057 -5.681 -5.929 1.00 15.00 O ATOM 481 NE2 GLN A 200 4.224 -7.257 -7.008 1.00 15.00 N ATOM 0 H GLN A 200 2.995 -5.787 -4.073 1.00 15.00 H new ATOM 0 HA GLN A 200 4.368 -7.279 -1.972 1.00 15.00 H new ATOM 0 HB2 GLN A 200 6.257 -7.249 -3.592 1.00 15.00 H new ATOM 0 HB3 GLN A 200 4.806 -8.015 -4.207 1.00 15.00 H new ATOM 0 HG2 GLN A 200 5.305 -5.109 -4.812 1.00 15.00 H new ATOM 0 HG3 GLN A 200 6.193 -6.335 -5.694 1.00 15.00 H new ATOM 0 HE21 GLN A 200 5.093 -7.785 -7.084 1.00 15.00 H new ATOM 0 HE22 GLN A 200 3.461 -7.433 -7.662 1.00 15.00 H new ATOM 490 N ASP A 201 6.079 -5.568 -1.227 1.00 15.00 N ATOM 491 CA ASP A 201 6.819 -4.504 -0.566 1.00 15.00 C ATOM 492 C ASP A 201 7.873 -3.910 -1.501 1.00 15.00 C ATOM 493 O ASP A 201 8.799 -4.608 -1.922 1.00 15.00 O ATOM 494 CB ASP A 201 7.478 -5.034 0.706 1.00 15.00 C ATOM 495 CG ASP A 201 8.105 -3.931 1.527 1.00 15.00 C ATOM 496 OD1 ASP A 201 9.236 -3.528 1.210 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.465 -3.469 2.493 1.00 15.00 O ATOM 0 H ASP A 201 6.334 -6.510 -0.929 1.00 15.00 H new ATOM 0 HA ASP A 201 6.118 -3.714 -0.299 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.734 -5.555 1.309 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.241 -5.765 0.440 1.00 15.00 H new ATOM 502 N PRO A 202 7.729 -2.612 -1.847 1.00 15.00 N ATOM 503 CA PRO A 202 8.662 -1.902 -2.738 1.00 15.00 C ATOM 504 C PRO A 202 10.104 -1.868 -2.227 1.00 15.00 C ATOM 505 O PRO A 202 11.025 -1.530 -2.972 1.00 15.00 O ATOM 506 CB PRO A 202 8.104 -0.475 -2.808 1.00 15.00 C ATOM 507 CG PRO A 202 7.118 -0.362 -1.694 1.00 15.00 C ATOM 508 CD PRO A 202 6.609 -1.751 -1.438 1.00 15.00 C ATOM 0 HA PRO A 202 8.721 -2.409 -3.701 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.901 0.261 -2.700 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.628 -0.289 -3.771 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.587 0.051 -0.801 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.301 0.308 -1.964 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.354 -1.897 -0.388 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.710 -1.961 -2.017 1.00 15.00 H new ATOM 609 N PRO B 207 -8.917 -8.912 -3.473 1.00 15.00 N ATOM 610 CA PRO B 207 -8.779 -7.505 -3.900 1.00 15.00 C ATOM 611 C PRO B 207 -8.511 -6.545 -2.739 1.00 15.00 C ATOM 612 O PRO B 207 -9.147 -6.628 -1.684 1.00 15.00 O ATOM 613 CB PRO B 207 -10.139 -7.202 -4.525 1.00 15.00 C ATOM 614 CG PRO B 207 -10.633 -8.515 -5.022 1.00 15.00 C ATOM 615 CD PRO B 207 -10.111 -9.551 -4.064 1.00 15.00 C ATOM 0 HA PRO B 207 -7.930 -7.372 -4.570 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.824 -6.774 -3.793 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.049 -6.481 -5.337 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.722 -8.532 -5.058 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.277 -8.707 -6.034 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.850 -9.800 -3.302 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.856 -10.478 -4.577 1.00 15.00 H new ATOM 623 N PRO B 208 -7.577 -5.595 -2.941 1.00 15.00 N ATOM 624 CA PRO B 208 -7.018 -4.734 -1.913 1.00 15.00 C ATOM 625 C PRO B 208 -7.769 -3.390 -1.874 1.00 15.00 C ATOM 626 O PRO B 208 -8.717 -3.189 -2.638 1.00 15.00 O ATOM 627 CB PRO B 208 -5.549 -4.566 -2.426 1.00 15.00 C ATOM 628 CG PRO B 208 -5.554 -5.149 -3.815 1.00 15.00 C ATOM 629 CD PRO B 208 -6.990 -5.163 -4.194 1.00 15.00 C ATOM 0 HA PRO B 208 -7.085 -5.124 -0.897 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.253 -3.517 -2.439 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.843 -5.089 -1.781 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.965 -4.543 -4.504 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.128 -6.152 -3.828 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.348 -4.182 -4.506 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.198 -5.853 -5.012 1.00 15.00 H new ATOM 637 N PRO B 209 -7.377 -2.469 -0.980 1.00 15.00 N ATOM 638 CA PRO B 209 -7.995 -1.140 -0.880 1.00 15.00 C ATOM 639 C PRO B 209 -8.134 -0.417 -2.219 1.00 15.00 C ATOM 640 O PRO B 209 -7.276 -0.536 -3.100 1.00 15.00 O ATOM 641 CB PRO B 209 -7.008 -0.345 -0.039 1.00 15.00 C ATOM 642 CG PRO B 209 -6.159 -1.327 0.682 1.00 15.00 C ATOM 643 CD PRO B 209 -6.348 -2.677 0.045 1.00 15.00 C ATOM 0 HA PRO B 209 -9.003 -1.234 -0.477 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.398 0.302 -0.670 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.534 0.300 0.665 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.112 -1.029 0.635 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.433 -1.363 1.736 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.419 -3.040 -0.395 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.665 -3.419 0.778 1.00 15.00 H new ATOM 651 N PRO B 210 -9.214 0.362 -2.374 1.00 15.00 N ATOM 652 CA PRO B 210 -9.384 1.267 -3.510 1.00 15.00 C ATOM 653 C PRO B 210 -8.398 2.430 -3.432 1.00 15.00 C ATOM 654 O PRO B 210 -8.092 2.920 -2.345 1.00 15.00 O ATOM 655 CB PRO B 210 -10.827 1.777 -3.365 1.00 15.00 C ATOM 656 CG PRO B 210 -11.468 0.883 -2.356 1.00 15.00 C ATOM 657 CD PRO B 210 -10.363 0.416 -1.460 1.00 15.00 C ATOM 0 HA PRO B 210 -9.201 0.775 -4.465 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.845 2.816 -3.036 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.355 1.736 -4.318 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.231 1.417 -1.789 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.962 0.040 -2.839 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.192 1.106 -0.633 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.580 -0.559 -1.022 1.00 15.00 H new ATOM 665 N TYR B 211 -7.926 2.884 -4.582 1.00 15.00 N ATOM 666 CA TYR B 211 -6.929 3.948 -4.645 1.00 15.00 C ATOM 667 C TYR B 211 -7.524 5.327 -4.327 1.00 15.00 C ATOM 668 O TYR B 211 -6.783 6.282 -4.103 1.00 15.00 O ATOM 669 CB TYR B 211 -6.208 3.976 -6.007 1.00 15.00 C ATOM 670 CG TYR B 211 -5.249 5.142 -6.132 1.00 15.00 C ATOM 671 CD1 TYR B 211 -3.975 5.064 -5.595 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.636 6.339 -6.734 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.111 6.135 -5.649 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.771 7.415 -6.798 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.511 7.306 -6.250 1.00 15.00 C ATOM 676 OH TYR B 211 -2.644 8.371 -6.304 1.00 15.00 O ATOM 0 H TYR B 211 -8.218 2.531 -5.493 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.194 3.720 -3.873 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.661 3.043 -6.144 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.948 4.031 -6.805 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.653 4.146 -5.125 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.626 6.426 -7.156 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.123 6.056 -5.221 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.080 8.334 -7.274 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.077 9.122 -6.761 1.00 15.00 H new ATOM 686 N SER B 212 -8.847 5.420 -4.236 1.00 15.00 N ATOM 687 CA SER B 212 -9.537 6.689 -4.439 1.00 15.00 C ATOM 688 C SER B 212 -9.062 7.758 -3.451 1.00 15.00 C ATOM 689 O SER B 212 -8.426 8.727 -3.880 1.00 15.00 O ATOM 690 CB SER B 212 -11.046 6.461 -4.312 1.00 15.00 C ATOM 691 OG SER B 212 -11.448 5.371 -5.129 1.00 15.00 O ATOM 0 H SER B 212 -9.461 4.634 -4.024 1.00 15.00 H new ATOM 0 HA SER B 212 -9.304 7.058 -5.438 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.305 6.260 -3.272 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.583 7.363 -4.606 1.00 15.00 H new ATOM 0 HG SER B 212 -12.414 5.233 -5.039 1.00 15.00 H new ATOM 697 N ARG B 213 -9.349 7.637 -2.164 1.00 15.00 N ATOM 698 CA ARG B 213 -8.667 8.501 -1.210 1.00 15.00 C ATOM 699 C ARG B 213 -7.883 7.691 -0.192 1.00 15.00 C ATOM 700 O ARG B 213 -6.653 7.648 -0.221 1.00 15.00 O ATOM 701 CB ARG B 213 -9.660 9.407 -0.476 1.00 15.00 C ATOM 702 CG ARG B 213 -10.287 10.476 -1.351 1.00 15.00 C ATOM 703 CD ARG B 213 -9.233 11.401 -1.939 1.00 15.00 C ATOM 704 NE ARG B 213 -9.827 12.497 -2.703 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.161 13.587 -3.074 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.887 13.738 -2.726 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.769 14.531 -3.777 1.00 15.00 N ATOM 0 H ARG B 213 -10.020 6.979 -1.767 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.974 9.119 -1.781 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.452 8.790 -0.050 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.148 9.889 0.357 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.850 10.005 -2.157 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.997 11.058 -0.764 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.621 11.810 -1.135 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.568 10.828 -2.585 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.809 12.421 -2.967 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.420 13.018 -2.175 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.376 14.574 -3.010 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.750 14.423 -4.035 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.256 15.366 -4.060 1.00 15.00 H new ATOM 721 N TYR B 214 -8.616 7.028 0.690 1.00 15.00 N ATOM 722 CA TYR B 214 -8.024 6.259 1.775 1.00 15.00 C ATOM 723 C TYR B 214 -8.448 4.800 1.668 1.00 15.00 C ATOM 724 O TYR B 214 -9.598 4.517 1.326 1.00 15.00 O ATOM 725 CB TYR B 214 -8.425 6.854 3.135 1.00 15.00 C ATOM 726 CG TYR B 214 -7.719 8.161 3.479 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.196 8.981 2.486 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.575 8.574 4.798 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.557 10.164 2.787 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.935 9.761 5.110 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.428 10.551 4.099 1.00 15.00 C ATOM 732 OH TYR B 214 -5.797 11.736 4.403 1.00 15.00 O ATOM 0 H TYR B 214 -9.636 7.008 0.674 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.938 6.308 1.696 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.502 7.023 3.141 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.213 6.123 3.915 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.293 8.683 1.452 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.969 7.958 5.593 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.160 10.783 1.996 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -6.833 10.067 6.141 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.790 11.863 5.375 1.00 15.00 H new ATOM 742 N PRO B 215 -7.538 3.859 1.969 1.00 15.00 N ATOM 743 CA PRO B 215 -7.825 2.421 1.883 1.00 15.00 C ATOM 744 C PRO B 215 -8.964 1.971 2.797 1.00 15.00 C ATOM 745 O PRO B 215 -10.046 1.620 2.325 1.00 15.00 O ATOM 746 CB PRO B 215 -6.515 1.764 2.320 1.00 15.00 C ATOM 747 CG PRO B 215 -5.475 2.802 2.113 1.00 15.00 C ATOM 748 CD PRO B 215 -6.151 4.115 2.389 1.00 15.00 C ATOM 0 HA PRO B 215 -8.152 2.149 0.879 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.559 1.452 3.364 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.305 0.872 1.730 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.629 2.648 2.783 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.085 2.768 1.096 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -6.091 4.388 3.443 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.700 4.930 1.822 1.00 15.00 H new