USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 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 183 ASN : amide:sc= -4.12 X(o=-4.7,f=-4.6!) USER MOD Set 1.2: B 2 THR OG1 : rot -160:sc= -0.551 USER MOD Set 2.1: A 155 GLN : amide:sc= 1.57 K(o=-0.75,f=-4.1) USER MOD Set 2.2: A 195 ASN :FLIP amide:sc= -0.0321 F(o=-1.5,f=-0.75) USER MOD Set 2.3: A 198 CYS SG : rot -99:sc= -0.115 USER MOD Set 2.4: A 218 CYS SG : rot -44:sc= -2.17! USER MOD Set 3.1: A 215 MET CE :methyl -169:sc= -0.437 (180deg=-0.537) USER MOD Set 3.2: B 10 TYR OH : rot 110:sc= -0.083 USER MOD Single : A 158 LYS NZ :NH3+ -137:sc= -1.44 (180deg=-3.86!) USER MOD Single : A 164 TYR OH : rot -81:sc= -1.56! USER MOD Single : A 169 TYR OH : rot 166:sc= 0.746 USER MOD Single : A 170 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.03) USER MOD Single : A 171 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 182 LYS NZ :NH3+ -168:sc= 1.53 (180deg=1.42) USER MOD Single : A 186 THR OG1 : rot 85:sc= -0.387! USER MOD Single : A 188 THR OG1 : rot 84:sc= 0.303 USER MOD Single : A 192 GLN :FLIP amide:sc= -0.697 F(o=-6.3!,f=-0.7) USER MOD Single : A 193 ASN : amide:sc= 1.14 K(o=1.1,f=-1.2) USER MOD Single : A 199 LYS NZ :NH3+ -174:sc= 1.76 (180deg=1.68) USER MOD Single : A 200 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot -76:sc= 0.992 USER MOD Single : A 214 MET CE :methyl 167:sc= -2.06! (180deg=-2.6!) USER MOD Single : A 216 THR OG1 : rot 83:sc= 1.2 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.331 9.197 4.780 1.00 0.00 N ATOM 171 CA ILE A 150 8.571 7.997 4.436 1.00 0.00 C ATOM 172 C ILE A 150 9.451 6.976 3.701 1.00 0.00 C ATOM 173 O ILE A 150 9.171 5.779 3.701 1.00 0.00 O ATOM 174 CB ILE A 150 7.334 8.353 3.573 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.403 7.149 3.444 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.751 8.852 2.194 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.834 6.684 4.766 1.00 0.00 C ATOM 0 HA ILE A 150 8.227 7.548 5.368 1.00 0.00 H new ATOM 0 HB ILE A 150 6.796 9.157 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.582 7.404 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 150 6.948 6.326 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 150 6.863 9.094 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.369 9.744 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.320 8.076 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.182 5.826 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.648 6.398 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.261 7.493 5.220 1.00 0.00 H new ATOM 189 N LEU A 151 10.536 7.460 3.107 1.00 0.00 N ATOM 190 CA LEU A 151 11.463 6.608 2.369 1.00 0.00 C ATOM 191 C LEU A 151 12.156 5.601 3.288 1.00 0.00 C ATOM 192 O LEU A 151 12.518 4.508 2.854 1.00 0.00 O ATOM 193 CB LEU A 151 12.513 7.464 1.658 1.00 0.00 C ATOM 194 CG LEU A 151 11.962 8.450 0.626 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.080 9.304 0.052 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.236 7.705 -0.485 1.00 0.00 C ATOM 0 H LEU A 151 10.797 8.446 3.122 1.00 0.00 H new ATOM 0 HA LEU A 151 10.884 6.051 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.071 8.023 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.222 6.802 1.161 1.00 0.00 H new ATOM 0 HG LEU A 151 11.250 9.108 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.668 9.999 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.559 9.865 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 151 13.817 8.662 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 151 10.850 8.421 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 151 11.929 7.024 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.409 7.136 -0.061 1.00 0.00 H new ATOM 208 N ASP A 152 12.328 5.965 4.556 1.00 0.00 N ATOM 209 CA ASP A 152 13.034 5.104 5.501 1.00 0.00 C ATOM 210 C ASP A 152 12.072 4.118 6.155 1.00 0.00 C ATOM 211 O ASP A 152 12.492 3.161 6.806 1.00 0.00 O ATOM 212 CB ASP A 152 13.744 5.939 6.574 1.00 0.00 C ATOM 213 CG ASP A 152 14.647 5.099 7.461 1.00 0.00 C ATOM 214 OD1 ASP A 152 14.270 4.825 8.622 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.743 4.708 6.999 1.00 0.00 O ATOM 0 H ASP A 152 11.991 6.843 4.951 1.00 0.00 H new ATOM 0 HA ASP A 152 13.785 4.542 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 152 14.336 6.717 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 152 12.999 6.441 7.191 1.00 0.00 H new ATOM 221 N ILE A 153 10.779 4.349 5.967 1.00 0.00 N ATOM 222 CA ILE A 153 9.761 3.469 6.521 1.00 0.00 C ATOM 223 C ILE A 153 9.697 2.178 5.713 1.00 0.00 C ATOM 224 O ILE A 153 8.894 2.038 4.795 1.00 0.00 O ATOM 225 CB ILE A 153 8.371 4.147 6.547 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.443 5.487 7.292 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.336 3.235 7.197 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.932 5.373 8.723 1.00 0.00 C ATOM 0 H ILE A 153 10.412 5.138 5.435 1.00 0.00 H new ATOM 0 HA ILE A 153 10.039 3.243 7.551 1.00 0.00 H new ATOM 0 HB ILE A 153 8.064 4.335 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 153 9.104 6.159 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.453 5.944 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.366 3.732 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 153 7.263 2.306 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.638 3.014 8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.954 6.362 9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 153 8.259 4.728 9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.935 4.947 8.732 1.00 0.00 H new ATOM 240 N ARG A 154 10.584 1.254 6.041 1.00 0.00 N ATOM 241 CA ARG A 154 10.654 -0.024 5.356 1.00 0.00 C ATOM 242 C ARG A 154 10.117 -1.123 6.244 1.00 0.00 C ATOM 243 O ARG A 154 10.287 -1.089 7.463 1.00 0.00 O ATOM 244 CB ARG A 154 12.091 -0.326 4.960 1.00 0.00 C ATOM 245 CG ARG A 154 12.635 0.619 3.908 1.00 0.00 C ATOM 246 CD ARG A 154 14.132 0.473 3.774 1.00 0.00 C ATOM 247 NE ARG A 154 14.529 -0.859 3.318 1.00 0.00 N ATOM 248 CZ ARG A 154 15.797 -1.243 3.174 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.789 -0.399 3.442 1.00 0.00 N ATOM 250 NH2 ARG A 154 16.072 -2.475 2.767 1.00 0.00 N ATOM 0 H ARG A 154 11.272 1.368 6.785 1.00 0.00 H new ATOM 0 HA ARG A 154 10.043 0.027 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.723 -0.274 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 154 12.150 -1.348 4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 154 12.159 0.415 2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 154 12.388 1.647 4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.505 1.219 3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 154 14.601 0.678 4.736 1.00 0.00 H new ATOM 0 HE ARG A 154 13.794 -1.531 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 154 16.581 0.548 3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.758 -0.698 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 154 15.314 -3.127 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 154 17.042 -2.771 2.656 1.00 0.00 H new ATOM 264 N GLN A 155 9.502 -2.105 5.618 1.00 0.00 N ATOM 265 CA GLN A 155 8.795 -3.153 6.339 1.00 0.00 C ATOM 266 C GLN A 155 9.784 -4.124 6.967 1.00 0.00 C ATOM 267 O GLN A 155 10.728 -4.575 6.314 1.00 0.00 O ATOM 268 CB GLN A 155 7.855 -3.904 5.393 1.00 0.00 C ATOM 269 CG GLN A 155 6.816 -4.754 6.109 1.00 0.00 C ATOM 270 CD GLN A 155 6.054 -5.659 5.163 1.00 0.00 C ATOM 271 OE1 GLN A 155 5.891 -5.354 3.984 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.580 -6.782 5.674 1.00 0.00 N ATOM 0 H GLN A 155 9.476 -2.203 4.603 1.00 0.00 H new ATOM 0 HA GLN A 155 8.206 -2.691 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 155 7.344 -3.183 4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.447 -4.544 4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.309 -5.361 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.113 -4.102 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.736 -7.000 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 155 5.058 -7.430 5.084 1.00 0.00 H new ATOM 281 N GLY A 156 9.574 -4.432 8.238 1.00 0.00 N ATOM 282 CA GLY A 156 10.435 -5.369 8.921 1.00 0.00 C ATOM 283 C GLY A 156 10.156 -6.799 8.495 1.00 0.00 C ATOM 284 O GLY A 156 9.030 -7.122 8.120 1.00 0.00 O ATOM 0 H GLY A 156 8.820 -4.048 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.477 -5.124 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.293 -5.276 9.998 1.00 0.00 H new ATOM 288 N PRO A 157 11.160 -7.683 8.554 1.00 0.00 N ATOM 289 CA PRO A 157 11.020 -9.086 8.133 1.00 0.00 C ATOM 290 C PRO A 157 10.074 -9.871 9.040 1.00 0.00 C ATOM 291 O PRO A 157 9.600 -10.949 8.684 1.00 0.00 O ATOM 292 CB PRO A 157 12.444 -9.639 8.240 1.00 0.00 C ATOM 293 CG PRO A 157 13.127 -8.747 9.220 1.00 0.00 C ATOM 294 CD PRO A 157 12.516 -7.385 9.038 1.00 0.00 C ATOM 0 HA PRO A 157 10.593 -9.169 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 157 12.442 -10.674 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.948 -9.624 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.984 -9.106 10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 157 14.202 -8.720 9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.495 -6.826 9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 157 13.076 -6.786 8.320 1.00 0.00 H new ATOM 302 N LYS A 158 9.815 -9.320 10.218 1.00 0.00 N ATOM 303 CA LYS A 158 8.883 -9.917 11.161 1.00 0.00 C ATOM 304 C LYS A 158 7.678 -9.004 11.349 1.00 0.00 C ATOM 305 O LYS A 158 6.836 -9.238 12.215 1.00 0.00 O ATOM 306 CB LYS A 158 9.563 -10.160 12.516 1.00 0.00 C ATOM 307 CG LYS A 158 10.722 -11.140 12.459 1.00 0.00 C ATOM 308 CD LYS A 158 11.433 -11.279 13.805 1.00 0.00 C ATOM 309 CE LYS A 158 10.615 -12.072 14.824 1.00 0.00 C ATOM 310 NZ LYS A 158 9.439 -11.324 15.342 1.00 0.00 N ATOM 0 H LYS A 158 10.242 -8.453 10.544 1.00 0.00 H new ATOM 0 HA LYS A 158 8.554 -10.875 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.924 -9.208 12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.820 -10.532 13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 158 10.354 -12.116 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 158 11.437 -10.810 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 158 12.394 -11.771 13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.642 -10.287 14.205 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.274 -12.999 14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 158 11.258 -12.349 15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 9.366 -11.461 16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 9.553 -10.311 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 8.574 -11.676 14.884 1.00 0.00 H new ATOM 324 N GLU A 159 7.600 -7.964 10.533 1.00 0.00 N ATOM 325 CA GLU A 159 6.556 -6.965 10.674 1.00 0.00 C ATOM 326 C GLU A 159 5.435 -7.196 9.665 1.00 0.00 C ATOM 327 O GLU A 159 5.654 -7.144 8.453 1.00 0.00 O ATOM 328 CB GLU A 159 7.149 -5.566 10.503 1.00 0.00 C ATOM 329 CG GLU A 159 6.129 -4.444 10.596 1.00 0.00 C ATOM 330 CD GLU A 159 6.775 -3.080 10.519 1.00 0.00 C ATOM 331 OE1 GLU A 159 6.639 -2.294 11.483 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.448 -2.797 9.508 1.00 0.00 O ATOM 0 H GLU A 159 8.249 -7.791 9.765 1.00 0.00 H new ATOM 0 HA GLU A 159 6.129 -7.052 11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 159 7.913 -5.412 11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.647 -5.510 9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.403 -4.547 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.579 -4.532 11.533 1.00 0.00 H new ATOM 340 N PRO A 160 4.223 -7.485 10.162 1.00 0.00 N ATOM 341 CA PRO A 160 3.034 -7.636 9.321 1.00 0.00 C ATOM 342 C PRO A 160 2.695 -6.345 8.583 1.00 0.00 C ATOM 343 O PRO A 160 2.890 -5.243 9.100 1.00 0.00 O ATOM 344 CB PRO A 160 1.919 -7.980 10.314 1.00 0.00 C ATOM 345 CG PRO A 160 2.434 -7.573 11.652 1.00 0.00 C ATOM 346 CD PRO A 160 3.926 -7.699 11.586 1.00 0.00 C ATOM 0 HA PRO A 160 3.178 -8.393 8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 160 0.999 -7.449 10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 160 1.688 -9.045 10.290 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.140 -6.550 11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 160 2.025 -8.210 12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.420 -6.959 12.215 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.262 -8.679 11.924 1.00 0.00 H new ATOM 354 N PHE A 161 2.161 -6.508 7.377 1.00 0.00 N ATOM 355 CA PHE A 161 1.856 -5.390 6.489 1.00 0.00 C ATOM 356 C PHE A 161 0.904 -4.391 7.148 1.00 0.00 C ATOM 357 O PHE A 161 0.946 -3.200 6.849 1.00 0.00 O ATOM 358 CB PHE A 161 1.248 -5.919 5.185 1.00 0.00 C ATOM 359 CG PHE A 161 1.061 -4.877 4.118 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.100 -4.550 3.262 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.156 -4.241 3.962 1.00 0.00 C ATOM 362 CE1 PHE A 161 1.925 -3.603 2.270 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.338 -3.293 2.976 1.00 0.00 C ATOM 364 CZ PHE A 161 0.702 -2.973 2.127 1.00 0.00 C ATOM 0 H PHE A 161 1.927 -7.421 6.986 1.00 0.00 H new ATOM 0 HA PHE A 161 2.786 -4.865 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.888 -6.710 4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 161 0.282 -6.372 5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.056 -5.040 3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.975 -4.489 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.742 -3.356 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.294 -2.802 2.869 1.00 0.00 H new ATOM 0 HZ PHE A 161 0.561 -2.233 1.353 1.00 0.00 H new ATOM 374 N ARG A 162 0.052 -4.874 8.048 1.00 0.00 N ATOM 375 CA ARG A 162 -0.893 -4.002 8.739 1.00 0.00 C ATOM 376 C ARG A 162 -0.174 -3.055 9.700 1.00 0.00 C ATOM 377 O ARG A 162 -0.528 -1.882 9.805 1.00 0.00 O ATOM 378 CB ARG A 162 -1.959 -4.813 9.481 1.00 0.00 C ATOM 379 CG ARG A 162 -1.409 -5.879 10.416 1.00 0.00 C ATOM 380 CD ARG A 162 -2.530 -6.530 11.204 1.00 0.00 C ATOM 381 NE ARG A 162 -2.106 -7.753 11.886 1.00 0.00 N ATOM 382 CZ ARG A 162 -2.953 -8.704 12.281 1.00 0.00 C ATOM 383 NH1 ARG A 162 -4.258 -8.546 12.096 1.00 0.00 N ATOM 384 NH2 ARG A 162 -2.502 -9.803 12.866 1.00 0.00 N ATOM 0 H ARG A 162 -0.004 -5.857 8.315 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.393 -3.400 7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.581 -4.128 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.608 -5.292 8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.876 -6.635 9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.688 -5.433 11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.910 -5.822 11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.355 -6.762 10.530 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.111 -7.885 12.069 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.611 -7.698 11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.907 -9.272 12.397 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.501 -9.926 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -3.156 -10.526 13.166 1.00 0.00 H new ATOM 398 N ASP A 163 0.844 -3.564 10.385 1.00 0.00 N ATOM 399 CA ASP A 163 1.639 -2.742 11.296 1.00 0.00 C ATOM 400 C ASP A 163 2.552 -1.820 10.503 1.00 0.00 C ATOM 401 O ASP A 163 2.890 -0.718 10.944 1.00 0.00 O ATOM 402 CB ASP A 163 2.466 -3.625 12.240 1.00 0.00 C ATOM 403 CG ASP A 163 1.617 -4.326 13.284 1.00 0.00 C ATOM 404 OD1 ASP A 163 0.838 -5.230 12.920 1.00 0.00 O ATOM 405 OD2 ASP A 163 1.742 -3.991 14.481 1.00 0.00 O ATOM 0 H ASP A 163 1.139 -4.539 10.329 1.00 0.00 H new ATOM 0 HA ASP A 163 0.961 -2.137 11.898 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.003 -4.371 11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.216 -3.012 12.740 1.00 0.00 H new ATOM 411 N TYR A 164 2.932 -2.282 9.319 1.00 0.00 N ATOM 412 CA TYR A 164 3.746 -1.498 8.404 1.00 0.00 C ATOM 413 C TYR A 164 2.962 -0.290 7.906 1.00 0.00 C ATOM 414 O TYR A 164 3.437 0.842 7.979 1.00 0.00 O ATOM 415 CB TYR A 164 4.196 -2.390 7.240 1.00 0.00 C ATOM 416 CG TYR A 164 4.779 -1.657 6.051 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.876 -0.811 6.183 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.235 -1.836 4.787 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.410 -0.165 5.083 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.760 -1.193 3.687 1.00 0.00 C ATOM 421 CZ TYR A 164 5.846 -0.360 3.838 1.00 0.00 C ATOM 422 OH TYR A 164 6.377 0.270 2.740 1.00 0.00 O ATOM 0 H TYR A 164 2.685 -3.207 8.968 1.00 0.00 H new ATOM 0 HA TYR A 164 4.631 -1.127 8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 164 4.939 -3.096 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.341 -2.976 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.316 -0.657 7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.385 -2.491 4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.263 0.488 5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.322 -1.342 2.711 1.00 0.00 H new ATOM 0 HH TYR A 164 6.053 1.194 2.705 1.00 0.00 H new ATOM 432 N VAL A 165 1.749 -0.539 7.429 1.00 0.00 N ATOM 433 CA VAL A 165 0.881 0.522 6.934 1.00 0.00 C ATOM 434 C VAL A 165 0.503 1.504 8.040 1.00 0.00 C ATOM 435 O VAL A 165 0.403 2.706 7.791 1.00 0.00 O ATOM 436 CB VAL A 165 -0.391 -0.063 6.273 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.545 0.929 6.283 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.083 -0.466 4.845 1.00 0.00 C ATOM 0 H VAL A 165 1.342 -1.473 7.374 1.00 0.00 H new ATOM 0 HA VAL A 165 1.443 1.071 6.178 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.695 -0.934 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.417 0.478 5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.787 1.195 7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.258 1.826 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.980 -0.878 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.247 0.408 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.705 -1.219 4.841 1.00 0.00 H new ATOM 448 N ASP A 166 0.324 0.999 9.258 1.00 0.00 N ATOM 449 CA ASP A 166 -0.071 1.846 10.381 1.00 0.00 C ATOM 450 C ASP A 166 0.896 3.016 10.552 1.00 0.00 C ATOM 451 O ASP A 166 0.479 4.170 10.638 1.00 0.00 O ATOM 452 CB ASP A 166 -0.142 1.036 11.678 1.00 0.00 C ATOM 453 CG ASP A 166 -0.596 1.875 12.860 1.00 0.00 C ATOM 454 OD1 ASP A 166 0.264 2.461 13.548 1.00 0.00 O ATOM 455 OD2 ASP A 166 -1.818 1.960 13.104 1.00 0.00 O ATOM 0 H ASP A 166 0.445 0.014 9.492 1.00 0.00 H new ATOM 0 HA ASP A 166 -1.062 2.243 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.829 0.200 11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.839 0.612 11.892 1.00 0.00 H new ATOM 461 N ARG A 167 2.190 2.721 10.555 1.00 0.00 N ATOM 462 CA ARG A 167 3.191 3.769 10.723 1.00 0.00 C ATOM 463 C ARG A 167 3.523 4.427 9.388 1.00 0.00 C ATOM 464 O ARG A 167 3.944 5.585 9.348 1.00 0.00 O ATOM 465 CB ARG A 167 4.461 3.228 11.386 1.00 0.00 C ATOM 466 CG ARG A 167 5.123 2.084 10.640 1.00 0.00 C ATOM 467 CD ARG A 167 6.428 1.688 11.310 1.00 0.00 C ATOM 468 NE ARG A 167 7.056 0.543 10.659 1.00 0.00 N ATOM 469 CZ ARG A 167 8.290 0.551 10.162 1.00 0.00 C ATOM 470 NH1 ARG A 167 9.048 1.640 10.248 1.00 0.00 N ATOM 471 NH2 ARG A 167 8.770 -0.543 9.598 1.00 0.00 N ATOM 0 H ARG A 167 2.568 1.780 10.445 1.00 0.00 H new ATOM 0 HA ARG A 167 2.765 4.525 11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.178 4.043 11.487 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.215 2.894 12.394 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.450 1.227 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.313 2.378 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.114 2.535 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 167 6.240 1.450 12.357 1.00 0.00 H new ATOM 0 HE ARG A 167 6.515 -0.318 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.685 2.480 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 167 9.993 1.635 9.864 1.00 0.00 H new ATOM 0 HH21 ARG A 167 8.196 -1.384 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 167 9.715 -0.546 9.214 1.00 0.00 H new ATOM 485 N PHE A 168 3.323 3.695 8.297 1.00 0.00 N ATOM 486 CA PHE A 168 3.526 4.242 6.962 1.00 0.00 C ATOM 487 C PHE A 168 2.573 5.410 6.735 1.00 0.00 C ATOM 488 O PHE A 168 2.995 6.517 6.410 1.00 0.00 O ATOM 489 CB PHE A 168 3.291 3.157 5.902 1.00 0.00 C ATOM 490 CG PHE A 168 3.575 3.590 4.486 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.629 4.294 3.754 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.788 3.284 3.886 1.00 0.00 C ATOM 493 CE1 PHE A 168 2.891 4.685 2.455 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.050 3.671 2.586 1.00 0.00 C ATOM 495 CZ PHE A 168 4.101 4.374 1.872 1.00 0.00 C ATOM 0 H PHE A 168 3.020 2.721 8.312 1.00 0.00 H new ATOM 0 HA PHE A 168 4.553 4.596 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 168 3.917 2.296 6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.255 2.824 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.678 4.539 4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.536 2.737 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.148 5.234 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 168 5.997 3.424 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.306 4.680 0.857 1.00 0.00 H new ATOM 505 N TYR A 169 1.288 5.152 6.947 1.00 0.00 N ATOM 506 CA TYR A 169 0.246 6.144 6.733 1.00 0.00 C ATOM 507 C TYR A 169 0.461 7.377 7.614 1.00 0.00 C ATOM 508 O TYR A 169 0.370 8.506 7.139 1.00 0.00 O ATOM 509 CB TYR A 169 -1.130 5.505 6.985 1.00 0.00 C ATOM 510 CG TYR A 169 -2.121 6.383 7.717 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.813 7.391 7.059 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.357 6.198 9.073 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.709 8.193 7.739 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.252 6.993 9.755 1.00 0.00 C ATOM 515 CZ TYR A 169 -3.925 7.989 9.085 1.00 0.00 C ATOM 516 OH TYR A 169 -4.803 8.799 9.767 1.00 0.00 O ATOM 0 H TYR A 169 0.941 4.249 7.272 1.00 0.00 H new ATOM 0 HA TYR A 169 0.290 6.485 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.561 5.218 6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.988 4.588 7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.649 7.550 6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -1.830 5.418 9.602 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.238 8.977 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -3.424 6.835 10.809 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.014 8.395 10.635 1.00 0.00 H new ATOM 526 N LYS A 170 0.771 7.152 8.886 1.00 0.00 N ATOM 527 CA LYS A 170 0.935 8.247 9.839 1.00 0.00 C ATOM 528 C LYS A 170 2.131 9.128 9.488 1.00 0.00 C ATOM 529 O LYS A 170 2.055 10.354 9.580 1.00 0.00 O ATOM 530 CB LYS A 170 1.069 7.691 11.255 1.00 0.00 C ATOM 531 CG LYS A 170 -0.214 7.065 11.765 1.00 0.00 C ATOM 532 CD LYS A 170 0.018 6.234 13.013 1.00 0.00 C ATOM 533 CE LYS A 170 -1.277 5.594 13.486 1.00 0.00 C ATOM 534 NZ LYS A 170 -1.055 4.605 14.573 1.00 0.00 N ATOM 0 H LYS A 170 0.914 6.223 9.282 1.00 0.00 H new ATOM 0 HA LYS A 170 0.046 8.875 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 170 1.864 6.945 11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 170 1.369 8.494 11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -0.940 7.849 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -0.646 6.437 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 170 0.757 5.460 12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 170 0.427 6.863 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -1.956 6.371 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -1.765 5.102 12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.912 4.030 14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -0.257 3.987 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -0.841 5.105 15.459 1.00 0.00 H new ATOM 548 N THR A 171 3.224 8.505 9.067 1.00 0.00 N ATOM 549 CA THR A 171 4.414 9.248 8.676 1.00 0.00 C ATOM 550 C THR A 171 4.183 9.953 7.342 1.00 0.00 C ATOM 551 O THR A 171 4.702 11.040 7.094 1.00 0.00 O ATOM 552 CB THR A 171 5.633 8.312 8.570 1.00 0.00 C ATOM 553 OG1 THR A 171 5.754 7.544 9.776 1.00 0.00 O ATOM 554 CG2 THR A 171 6.915 9.101 8.337 1.00 0.00 C ATOM 0 H THR A 171 3.311 7.492 8.988 1.00 0.00 H new ATOM 0 HA THR A 171 4.616 9.995 9.444 1.00 0.00 H new ATOM 0 HB THR A 171 5.481 7.648 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.133 6.786 9.745 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.758 8.413 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.830 9.667 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.076 9.788 9.168 1.00 0.00 H new ATOM 562 N LEU A 172 3.369 9.331 6.502 1.00 0.00 N ATOM 563 CA LEU A 172 3.041 9.878 5.196 1.00 0.00 C ATOM 564 C LEU A 172 2.165 11.126 5.330 1.00 0.00 C ATOM 565 O LEU A 172 2.181 12.005 4.466 1.00 0.00 O ATOM 566 CB LEU A 172 2.342 8.811 4.361 1.00 0.00 C ATOM 567 CG LEU A 172 2.058 9.184 2.912 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.328 9.642 2.207 1.00 0.00 C ATOM 569 CD2 LEU A 172 1.452 7.998 2.192 1.00 0.00 C ATOM 0 H LEU A 172 2.920 8.438 6.706 1.00 0.00 H new ATOM 0 HA LEU A 172 3.962 10.176 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 172 2.955 7.910 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.397 8.560 4.844 1.00 0.00 H new ATOM 0 HG LEU A 172 1.351 10.014 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.097 9.902 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.734 10.514 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.063 8.837 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.249 8.267 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.149 7.160 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 172 0.521 7.712 2.681 1.00 0.00 H new ATOM 581 N ARG A 173 1.384 11.193 6.406 1.00 0.00 N ATOM 582 CA ARG A 173 0.652 12.412 6.731 1.00 0.00 C ATOM 583 C ARG A 173 1.638 13.544 6.998 1.00 0.00 C ATOM 584 O ARG A 173 1.451 14.666 6.531 1.00 0.00 O ATOM 585 CB ARG A 173 -0.231 12.226 7.969 1.00 0.00 C ATOM 586 CG ARG A 173 -1.082 10.970 7.954 1.00 0.00 C ATOM 587 CD ARG A 173 -2.099 10.983 9.076 1.00 0.00 C ATOM 588 NE ARG A 173 -1.468 11.191 10.379 1.00 0.00 N ATOM 589 CZ ARG A 173 -1.982 10.794 11.542 1.00 0.00 C ATOM 590 NH1 ARG A 173 -3.130 10.128 11.589 1.00 0.00 N ATOM 591 NH2 ARG A 173 -1.330 11.059 12.667 1.00 0.00 N ATOM 0 H ARG A 173 1.243 10.424 7.062 1.00 0.00 H new ATOM 0 HA ARG A 173 0.013 12.652 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 173 0.405 12.207 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -0.886 13.092 8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.595 10.887 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -0.442 10.093 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -2.829 11.772 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -2.645 10.039 9.083 1.00 0.00 H new ATOM 0 HE ARG A 173 -0.570 11.675 10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -3.631 9.914 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -3.511 9.831 12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -0.443 11.563 12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -1.715 10.759 13.563 1.00 0.00 H new ATOM 605 N ALA A 174 2.701 13.216 7.732 1.00 0.00 N ATOM 606 CA ALA A 174 3.702 14.194 8.140 1.00 0.00 C ATOM 607 C ALA A 174 4.518 14.689 6.951 1.00 0.00 C ATOM 608 O ALA A 174 5.000 15.822 6.960 1.00 0.00 O ATOM 609 CB ALA A 174 4.620 13.604 9.204 1.00 0.00 C ATOM 0 H ALA A 174 2.890 12.268 8.058 1.00 0.00 H new ATOM 0 HA ALA A 174 3.176 15.050 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 174 5.361 14.347 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 174 4.030 13.316 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 174 5.126 12.726 8.802 1.00 0.00 H new ATOM 615 N GLU A 175 4.683 13.829 5.943 1.00 0.00 N ATOM 616 CA GLU A 175 5.358 14.210 4.703 1.00 0.00 C ATOM 617 C GLU A 175 4.794 15.521 4.165 1.00 0.00 C ATOM 618 O GLU A 175 3.613 15.608 3.809 1.00 0.00 O ATOM 619 CB GLU A 175 5.203 13.114 3.645 1.00 0.00 C ATOM 620 CG GLU A 175 6.088 11.899 3.862 1.00 0.00 C ATOM 621 CD GLU A 175 7.563 12.213 3.699 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.375 11.711 4.501 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.915 12.967 2.763 1.00 0.00 O ATOM 0 H GLU A 175 4.357 12.863 5.963 1.00 0.00 H new ATOM 0 HA GLU A 175 6.417 14.343 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.162 12.791 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.424 13.538 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.914 11.501 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.807 11.119 3.155 1.00 0.00 H new ATOM 631 N GLN A 176 5.638 16.538 4.115 1.00 0.00 N ATOM 632 CA GLN A 176 5.215 17.867 3.707 1.00 0.00 C ATOM 633 C GLN A 176 5.250 18.003 2.193 1.00 0.00 C ATOM 634 O GLN A 176 6.130 18.648 1.623 1.00 0.00 O ATOM 635 CB GLN A 176 6.088 18.926 4.379 1.00 0.00 C ATOM 636 CG GLN A 176 5.868 18.998 5.882 1.00 0.00 C ATOM 637 CD GLN A 176 6.872 19.880 6.594 1.00 0.00 C ATOM 638 OE1 GLN A 176 7.393 20.842 6.027 1.00 0.00 O ATOM 639 NE2 GLN A 176 7.147 19.557 7.845 1.00 0.00 N ATOM 0 H GLN A 176 6.627 16.467 4.354 1.00 0.00 H new ATOM 0 HA GLN A 176 4.185 18.021 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 176 7.137 18.707 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 176 5.876 19.900 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 176 4.863 19.373 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.920 17.992 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 176 6.692 18.752 8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 176 7.814 20.113 8.380 1.00 0.00 H new ATOM 648 N ALA A 177 4.283 17.370 1.556 1.00 0.00 N ATOM 649 CA ALA A 177 4.124 17.426 0.116 1.00 0.00 C ATOM 650 C ALA A 177 2.649 17.531 -0.218 1.00 0.00 C ATOM 651 O ALA A 177 1.803 17.307 0.652 1.00 0.00 O ATOM 652 CB ALA A 177 4.722 16.188 -0.536 1.00 0.00 C ATOM 0 H ALA A 177 3.581 16.799 2.027 1.00 0.00 H new ATOM 0 HA ALA A 177 4.649 18.300 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.593 16.248 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.785 16.130 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.217 15.298 -0.159 1.00 0.00 H new ATOM 658 N SER A 178 2.340 17.880 -1.454 1.00 0.00 N ATOM 659 CA SER A 178 0.959 17.917 -1.909 1.00 0.00 C ATOM 660 C SER A 178 0.362 16.517 -1.850 1.00 0.00 C ATOM 661 O SER A 178 1.098 15.526 -1.950 1.00 0.00 O ATOM 662 CB SER A 178 0.878 18.468 -3.337 1.00 0.00 C ATOM 663 OG SER A 178 -0.460 18.540 -3.797 1.00 0.00 O ATOM 0 H SER A 178 3.026 18.142 -2.162 1.00 0.00 H new ATOM 0 HA SER A 178 0.390 18.577 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 178 1.328 19.460 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 178 1.459 17.832 -4.006 1.00 0.00 H new ATOM 0 HG SER A 178 -0.473 18.897 -4.710 1.00 0.00 H new ATOM 669 N GLN A 179 -0.949 16.424 -1.675 1.00 0.00 N ATOM 670 CA GLN A 179 -1.609 15.132 -1.614 1.00 0.00 C ATOM 671 C GLN A 179 -1.266 14.327 -2.859 1.00 0.00 C ATOM 672 O GLN A 179 -0.762 13.208 -2.764 1.00 0.00 O ATOM 673 CB GLN A 179 -3.127 15.301 -1.497 1.00 0.00 C ATOM 674 CG GLN A 179 -3.883 13.987 -1.362 1.00 0.00 C ATOM 675 CD GLN A 179 -5.390 14.171 -1.389 1.00 0.00 C ATOM 676 OE1 GLN A 179 -5.909 15.212 -0.982 1.00 0.00 O ATOM 677 NE2 GLN A 179 -6.105 13.161 -1.864 1.00 0.00 N ATOM 0 H GLN A 179 -1.572 17.225 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.258 14.600 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.348 15.927 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.493 15.831 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -3.588 13.319 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.597 13.503 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.638 12.315 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -7.122 13.229 -1.902 1.00 0.00 H new ATOM 686 N GLU A 180 -1.473 14.948 -4.018 1.00 0.00 N ATOM 687 CA GLU A 180 -1.285 14.286 -5.306 1.00 0.00 C ATOM 688 C GLU A 180 0.148 13.785 -5.462 1.00 0.00 C ATOM 689 O GLU A 180 0.381 12.670 -5.933 1.00 0.00 O ATOM 690 CB GLU A 180 -1.631 15.231 -6.465 1.00 0.00 C ATOM 691 CG GLU A 180 -3.052 15.780 -6.429 1.00 0.00 C ATOM 692 CD GLU A 180 -3.223 16.919 -5.443 1.00 0.00 C ATOM 693 OE1 GLU A 180 -2.905 18.070 -5.796 1.00 0.00 O ATOM 694 OE2 GLU A 180 -3.677 16.672 -4.306 1.00 0.00 O ATOM 0 H GLU A 180 -1.774 15.920 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.960 13.431 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -0.932 16.067 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.483 14.701 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.327 16.125 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.740 14.975 -6.169 1.00 0.00 H new ATOM 702 N VAL A 181 1.100 14.613 -5.048 1.00 0.00 N ATOM 703 CA VAL A 181 2.510 14.261 -5.129 1.00 0.00 C ATOM 704 C VAL A 181 2.808 13.043 -4.264 1.00 0.00 C ATOM 705 O VAL A 181 3.457 12.093 -4.707 1.00 0.00 O ATOM 706 CB VAL A 181 3.419 15.429 -4.689 1.00 0.00 C ATOM 707 CG1 VAL A 181 4.883 15.020 -4.755 1.00 0.00 C ATOM 708 CG2 VAL A 181 3.168 16.657 -5.550 1.00 0.00 C ATOM 0 H VAL A 181 0.919 15.535 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 181 2.722 14.033 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 181 3.178 15.680 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 181 5.509 15.856 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 181 5.054 14.171 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 181 5.137 14.740 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 181 3.818 17.469 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 181 3.379 16.420 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 181 2.127 16.964 -5.451 1.00 0.00 H new ATOM 718 N LYS A 182 2.314 13.067 -3.032 1.00 0.00 N ATOM 719 CA LYS A 182 2.540 11.968 -2.108 1.00 0.00 C ATOM 720 C LYS A 182 1.858 10.696 -2.594 1.00 0.00 C ATOM 721 O LYS A 182 2.402 9.606 -2.442 1.00 0.00 O ATOM 722 CB LYS A 182 2.065 12.327 -0.698 1.00 0.00 C ATOM 723 CG LYS A 182 2.945 13.363 -0.027 1.00 0.00 C ATOM 724 CD LYS A 182 2.657 13.487 1.458 1.00 0.00 C ATOM 725 CE LYS A 182 1.330 14.170 1.736 1.00 0.00 C ATOM 726 NZ LYS A 182 1.081 14.308 3.199 1.00 0.00 N ATOM 0 H LYS A 182 1.757 13.833 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 182 3.614 11.785 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 182 1.043 12.703 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 182 2.043 11.425 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 182 3.992 13.096 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.794 14.330 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 182 2.653 12.494 1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 182 3.459 14.050 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 182 1.323 15.155 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.522 13.596 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.092 14.588 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 1.264 13.399 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.713 15.034 3.592 1.00 0.00 H new ATOM 740 N ASN A 183 0.678 10.839 -3.191 1.00 0.00 N ATOM 741 CA ASN A 183 -0.059 9.690 -3.714 1.00 0.00 C ATOM 742 C ASN A 183 0.776 8.935 -4.735 1.00 0.00 C ATOM 743 O ASN A 183 0.955 7.720 -4.625 1.00 0.00 O ATOM 744 CB ASN A 183 -1.365 10.105 -4.395 1.00 0.00 C ATOM 745 CG ASN A 183 -2.315 10.882 -3.504 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.342 10.707 -2.284 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.115 11.741 -4.118 1.00 0.00 N ATOM 0 H ASN A 183 0.212 11.736 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.285 9.057 -2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -1.128 10.711 -5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.873 9.211 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.786 12.288 -3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.060 11.855 -5.130 1.00 0.00 H new ATOM 754 N ALA A 184 1.297 9.671 -5.719 1.00 0.00 N ATOM 755 CA ALA A 184 2.055 9.077 -6.814 1.00 0.00 C ATOM 756 C ALA A 184 3.259 8.310 -6.287 1.00 0.00 C ATOM 757 O ALA A 184 3.567 7.212 -6.750 1.00 0.00 O ATOM 758 CB ALA A 184 2.496 10.152 -7.799 1.00 0.00 C ATOM 0 H ALA A 184 1.205 10.685 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 184 1.406 8.373 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.061 9.693 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.619 10.654 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.125 10.880 -7.286 1.00 0.00 H new ATOM 764 N ALA A 185 3.931 8.897 -5.308 1.00 0.00 N ATOM 765 CA ALA A 185 5.063 8.251 -4.669 1.00 0.00 C ATOM 766 C ALA A 185 4.613 7.000 -3.920 1.00 0.00 C ATOM 767 O ALA A 185 5.172 5.919 -4.108 1.00 0.00 O ATOM 768 CB ALA A 185 5.754 9.224 -3.722 1.00 0.00 C ATOM 0 H ALA A 185 3.710 9.822 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 185 5.774 7.949 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.602 8.730 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 185 6.106 10.090 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 185 5.049 9.550 -2.957 1.00 0.00 H new ATOM 774 N THR A 186 3.572 7.158 -3.105 1.00 0.00 N ATOM 775 CA THR A 186 3.079 6.101 -2.232 1.00 0.00 C ATOM 776 C THR A 186 2.729 4.827 -2.980 1.00 0.00 C ATOM 777 O THR A 186 3.154 3.745 -2.577 1.00 0.00 O ATOM 778 CB THR A 186 1.855 6.583 -1.447 1.00 0.00 C ATOM 779 OG1 THR A 186 2.211 7.720 -0.661 1.00 0.00 O ATOM 780 CG2 THR A 186 1.295 5.486 -0.551 1.00 0.00 C ATOM 0 H THR A 186 3.046 8.029 -3.033 1.00 0.00 H new ATOM 0 HA THR A 186 3.894 5.864 -1.548 1.00 0.00 H new ATOM 0 HB THR A 186 1.078 6.855 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.141 8.530 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.428 5.865 -0.010 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.997 4.634 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.058 5.173 0.161 1.00 0.00 H new ATOM 788 N GLU A 187 1.981 4.952 -4.070 1.00 0.00 N ATOM 789 CA GLU A 187 1.573 3.787 -4.848 1.00 0.00 C ATOM 790 C GLU A 187 2.784 2.943 -5.230 1.00 0.00 C ATOM 791 O GLU A 187 2.690 1.726 -5.395 1.00 0.00 O ATOM 792 CB GLU A 187 0.848 4.212 -6.119 1.00 0.00 C ATOM 793 CG GLU A 187 -0.397 5.059 -5.894 1.00 0.00 C ATOM 794 CD GLU A 187 -1.493 4.718 -6.886 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.497 5.288 -7.995 1.00 0.00 O ATOM 796 OE2 GLU A 187 -2.362 3.885 -6.554 1.00 0.00 O ATOM 0 H GLU A 187 1.646 5.844 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 187 0.899 3.197 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.542 4.772 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.566 3.318 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.764 4.905 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -0.140 6.115 -5.983 1.00 0.00 H new ATOM 804 N THR A 188 3.921 3.605 -5.358 1.00 0.00 N ATOM 805 CA THR A 188 5.141 2.960 -5.767 1.00 0.00 C ATOM 806 C THR A 188 5.929 2.428 -4.564 1.00 0.00 C ATOM 807 O THR A 188 6.205 1.230 -4.471 1.00 0.00 O ATOM 808 CB THR A 188 6.013 3.952 -6.548 1.00 0.00 C ATOM 809 OG1 THR A 188 5.180 4.914 -7.220 1.00 0.00 O ATOM 810 CG2 THR A 188 6.845 3.216 -7.575 1.00 0.00 C ATOM 0 H THR A 188 4.017 4.605 -5.180 1.00 0.00 H new ATOM 0 HA THR A 188 4.875 2.114 -6.401 1.00 0.00 H new ATOM 0 HB THR A 188 6.671 4.464 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 188 4.948 5.636 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 188 7.460 3.929 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 188 7.488 2.494 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 188 6.187 2.694 -8.270 1.00 0.00 H new ATOM 818 N LEU A 189 6.282 3.316 -3.634 1.00 0.00 N ATOM 819 CA LEU A 189 7.177 2.951 -2.530 1.00 0.00 C ATOM 820 C LEU A 189 6.497 2.079 -1.475 1.00 0.00 C ATOM 821 O LEU A 189 7.179 1.429 -0.684 1.00 0.00 O ATOM 822 CB LEU A 189 7.839 4.194 -1.906 1.00 0.00 C ATOM 823 CG LEU A 189 6.966 5.436 -1.812 1.00 0.00 C ATOM 824 CD1 LEU A 189 5.772 5.142 -0.959 1.00 0.00 C ATOM 825 CD2 LEU A 189 7.740 6.616 -1.254 1.00 0.00 C ATOM 0 H LEU A 189 5.966 4.286 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 189 7.967 2.338 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 189 8.179 3.936 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 189 8.726 4.441 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 189 6.638 5.706 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 189 5.146 6.031 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 189 5.199 4.328 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 189 6.100 4.852 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 189 7.087 7.487 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 189 8.104 6.373 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 189 8.586 6.837 -1.905 1.00 0.00 H new ATOM 837 N LEU A 190 5.167 2.045 -1.475 1.00 0.00 N ATOM 838 CA LEU A 190 4.440 1.126 -0.606 1.00 0.00 C ATOM 839 C LEU A 190 4.831 -0.310 -0.943 1.00 0.00 C ATOM 840 O LEU A 190 5.018 -1.143 -0.059 1.00 0.00 O ATOM 841 CB LEU A 190 2.926 1.316 -0.765 1.00 0.00 C ATOM 842 CG LEU A 190 2.054 0.455 0.156 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.332 0.775 1.619 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.581 0.664 -0.161 1.00 0.00 C ATOM 0 H LEU A 190 4.577 2.636 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 190 4.702 1.337 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.688 2.365 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.657 1.100 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 190 2.304 -0.592 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.702 0.152 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.380 0.577 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 190 2.113 1.826 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -0.025 0.046 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.323 1.713 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.388 0.383 -1.196 1.00 0.00 H new ATOM 856 N VAL A 191 4.973 -0.578 -2.234 1.00 0.00 N ATOM 857 CA VAL A 191 5.406 -1.885 -2.703 1.00 0.00 C ATOM 858 C VAL A 191 6.922 -2.029 -2.568 1.00 0.00 C ATOM 859 O VAL A 191 7.422 -3.090 -2.193 1.00 0.00 O ATOM 860 CB VAL A 191 4.995 -2.119 -4.174 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.354 -3.529 -4.625 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.508 -1.863 -4.365 1.00 0.00 C ATOM 0 H VAL A 191 4.793 0.097 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 191 4.915 -2.634 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 191 5.550 -1.413 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.054 -3.666 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.430 -3.677 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.835 -4.255 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.240 -2.034 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.938 -2.540 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.279 -0.832 -4.096 1.00 0.00 H new ATOM 872 N GLN A 192 7.646 -0.949 -2.873 1.00 0.00 N ATOM 873 CA GLN A 192 9.114 -0.954 -2.845 1.00 0.00 C ATOM 874 C GLN A 192 9.661 -1.321 -1.467 1.00 0.00 C ATOM 875 O GLN A 192 10.550 -2.169 -1.348 1.00 0.00 O ATOM 876 CB GLN A 192 9.665 0.419 -3.235 1.00 0.00 C ATOM 877 CG GLN A 192 9.415 0.811 -4.680 1.00 0.00 C ATOM 878 CD GLN A 192 9.902 2.219 -4.979 1.00 0.00 C ATOM 879 OE1 GLN A 192 9.009 3.190 -4.850 1.00 0.00 O flip ATOM 880 NE2 GLN A 192 11.062 2.429 -5.332 1.00 0.00 N flip ATOM 0 H GLN A 192 7.238 -0.054 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 192 9.436 -1.709 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.220 1.173 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 192 10.739 0.432 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 192 9.919 0.105 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 192 8.349 0.743 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 192 11.717 1.652 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 192 11.368 3.380 -5.538 1.00 0.00 H new ATOM 889 N ASN A 193 9.117 -0.688 -0.437 1.00 0.00 N ATOM 890 CA ASN A 193 9.635 -0.825 0.922 1.00 0.00 C ATOM 891 C ASN A 193 9.136 -2.100 1.597 1.00 0.00 C ATOM 892 O ASN A 193 9.485 -2.380 2.747 1.00 0.00 O ATOM 893 CB ASN A 193 9.244 0.397 1.760 1.00 0.00 C ATOM 894 CG ASN A 193 10.023 1.652 1.402 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.517 1.806 0.281 1.00 0.00 O ATOM 896 ND2 ASN A 193 10.121 2.573 2.349 1.00 0.00 N ATOM 0 H ASN A 193 8.310 -0.069 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 193 10.721 -0.890 0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.179 0.591 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.401 0.170 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 193 10.618 3.444 2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 193 9.700 2.411 3.264 1.00 0.00 H new ATOM 903 N ALA A 194 8.325 -2.867 0.882 1.00 0.00 N ATOM 904 CA ALA A 194 7.792 -4.117 1.410 1.00 0.00 C ATOM 905 C ALA A 194 8.794 -5.255 1.223 1.00 0.00 C ATOM 906 O ALA A 194 9.603 -5.231 0.291 1.00 0.00 O ATOM 907 CB ALA A 194 6.473 -4.450 0.725 1.00 0.00 C ATOM 0 H ALA A 194 8.021 -2.646 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 194 7.614 -3.996 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.081 -5.385 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.756 -3.649 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.636 -4.554 -0.348 1.00 0.00 H new ATOM 913 N ASN A 195 8.739 -6.245 2.114 1.00 0.00 N ATOM 914 CA ASN A 195 9.645 -7.396 2.049 1.00 0.00 C ATOM 915 C ASN A 195 9.413 -8.200 0.776 1.00 0.00 C ATOM 916 O ASN A 195 8.313 -8.169 0.234 1.00 0.00 O ATOM 917 CB ASN A 195 9.467 -8.325 3.260 1.00 0.00 C ATOM 918 CG ASN A 195 9.880 -7.702 4.575 1.00 0.00 C ATOM 919 OD1 ASN A 195 8.913 -7.186 5.306 1.00 0.00 O flip ATOM 920 ND2 ASN A 195 11.055 -7.719 4.946 1.00 0.00 N flip ATOM 0 H ASN A 195 8.077 -6.275 2.890 1.00 0.00 H new ATOM 0 HA ASN A 195 10.660 -6.998 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.421 -8.626 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.051 -9.232 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 195 11.773 -8.129 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 195 11.310 -7.323 5.851 1.00 0.00 H new ATOM 927 N PRO A 196 10.425 -8.940 0.288 1.00 0.00 N ATOM 928 CA PRO A 196 10.311 -9.731 -0.945 1.00 0.00 C ATOM 929 C PRO A 196 9.088 -10.643 -0.928 1.00 0.00 C ATOM 930 O PRO A 196 8.312 -10.688 -1.889 1.00 0.00 O ATOM 931 CB PRO A 196 11.602 -10.566 -0.970 1.00 0.00 C ATOM 932 CG PRO A 196 12.196 -10.422 0.393 1.00 0.00 C ATOM 933 CD PRO A 196 11.755 -9.079 0.893 1.00 0.00 C ATOM 0 HA PRO A 196 10.189 -9.097 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.390 -11.611 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.288 -10.206 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.853 -11.217 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.283 -10.487 0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.712 -9.045 1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.431 -8.285 0.576 1.00 0.00 H new ATOM 941 N ASP A 197 8.911 -11.340 0.188 1.00 0.00 N ATOM 942 CA ASP A 197 7.779 -12.244 0.376 1.00 0.00 C ATOM 943 C ASP A 197 6.455 -11.512 0.177 1.00 0.00 C ATOM 944 O ASP A 197 5.603 -11.942 -0.602 1.00 0.00 O ATOM 945 CB ASP A 197 7.834 -12.857 1.778 1.00 0.00 C ATOM 946 CG ASP A 197 6.615 -13.698 2.103 1.00 0.00 C ATOM 947 OD1 ASP A 197 6.468 -14.793 1.519 1.00 0.00 O ATOM 948 OD2 ASP A 197 5.813 -13.276 2.958 1.00 0.00 O ATOM 0 H ASP A 197 9.544 -11.296 0.986 1.00 0.00 H new ATOM 0 HA ASP A 197 7.844 -13.037 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 197 8.728 -13.474 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 197 7.925 -12.059 2.515 1.00 0.00 H new ATOM 954 N CYS A 198 6.308 -10.389 0.864 1.00 0.00 N ATOM 955 CA CYS A 198 5.095 -9.586 0.793 1.00 0.00 C ATOM 956 C CYS A 198 4.937 -8.982 -0.600 1.00 0.00 C ATOM 957 O CYS A 198 3.858 -9.018 -1.190 1.00 0.00 O ATOM 958 CB CYS A 198 5.170 -8.477 1.840 1.00 0.00 C ATOM 959 SG CYS A 198 5.837 -9.035 3.425 1.00 0.00 S ATOM 0 H CYS A 198 7.023 -10.009 1.484 1.00 0.00 H new ATOM 0 HA CYS A 198 4.230 -10.220 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 198 5.791 -7.667 1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.172 -8.067 1.997 1.00 0.00 H new ATOM 0 HG CYS A 198 4.859 -9.277 4.246 1.00 0.00 H new ATOM 965 N LYS A 199 6.041 -8.453 -1.114 1.00 0.00 N ATOM 966 CA LYS A 199 6.093 -7.810 -2.421 1.00 0.00 C ATOM 967 C LYS A 199 5.579 -8.744 -3.514 1.00 0.00 C ATOM 968 O LYS A 199 4.843 -8.328 -4.410 1.00 0.00 O ATOM 969 CB LYS A 199 7.542 -7.403 -2.716 1.00 0.00 C ATOM 970 CG LYS A 199 7.720 -6.546 -3.958 1.00 0.00 C ATOM 971 CD LYS A 199 9.192 -6.388 -4.312 1.00 0.00 C ATOM 972 CE LYS A 199 9.984 -5.724 -3.190 1.00 0.00 C ATOM 973 NZ LYS A 199 9.637 -4.288 -3.027 1.00 0.00 N ATOM 0 H LYS A 199 6.938 -8.459 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 199 5.452 -6.928 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.935 -6.859 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.144 -8.305 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 199 7.189 -6.999 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 199 7.276 -5.564 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.620 -7.367 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 199 9.284 -5.794 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 199 9.794 -6.250 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 199 11.050 -5.816 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 10.270 -3.855 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 9.745 -3.799 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 8.652 -4.203 -2.704 1.00 0.00 H new ATOM 987 N THR A 200 5.962 -10.011 -3.418 1.00 0.00 N ATOM 988 CA THR A 200 5.551 -11.023 -4.383 1.00 0.00 C ATOM 989 C THR A 200 4.033 -11.202 -4.369 1.00 0.00 C ATOM 990 O THR A 200 3.400 -11.333 -5.419 1.00 0.00 O ATOM 991 CB THR A 200 6.240 -12.370 -4.083 1.00 0.00 C ATOM 992 OG1 THR A 200 7.666 -12.191 -4.068 1.00 0.00 O ATOM 993 CG2 THR A 200 5.871 -13.427 -5.117 1.00 0.00 C ATOM 0 H THR A 200 6.563 -10.365 -2.674 1.00 0.00 H new ATOM 0 HA THR A 200 5.854 -10.684 -5.374 1.00 0.00 H new ATOM 0 HB THR A 200 5.897 -12.714 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.928 -11.719 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.374 -14.363 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.792 -13.582 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 200 6.183 -13.093 -6.106 1.00 0.00 H new ATOM 1001 N ILE A 201 3.456 -11.171 -3.175 1.00 0.00 N ATOM 1002 CA ILE A 201 2.019 -11.340 -3.011 1.00 0.00 C ATOM 1003 C ILE A 201 1.273 -10.121 -3.543 1.00 0.00 C ATOM 1004 O ILE A 201 0.233 -10.245 -4.192 1.00 0.00 O ATOM 1005 CB ILE A 201 1.654 -11.560 -1.527 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.418 -12.764 -0.970 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.152 -11.753 -1.364 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.204 -12.992 0.510 1.00 0.00 C ATOM 0 H ILE A 201 3.964 -11.030 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 201 1.721 -12.221 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 201 1.942 -10.673 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.114 -13.659 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.483 -12.625 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 201 -0.083 -11.906 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.370 -10.868 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.167 -12.623 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 201 2.777 -13.862 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.535 -12.114 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.145 -13.164 0.702 1.00 0.00 H new ATOM 1020 N LEU A 202 1.828 -8.943 -3.279 1.00 0.00 N ATOM 1021 CA LEU A 202 1.234 -7.689 -3.728 1.00 0.00 C ATOM 1022 C LEU A 202 1.139 -7.654 -5.250 1.00 0.00 C ATOM 1023 O LEU A 202 0.122 -7.244 -5.815 1.00 0.00 O ATOM 1024 CB LEU A 202 2.064 -6.501 -3.232 1.00 0.00 C ATOM 1025 CG LEU A 202 2.334 -6.474 -1.723 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.231 -5.299 -1.363 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.030 -6.402 -0.941 1.00 0.00 C ATOM 0 H LEU A 202 2.694 -8.830 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 202 0.229 -7.619 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.020 -6.503 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.551 -5.580 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 202 2.845 -7.398 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.412 -5.295 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.180 -5.391 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 202 2.744 -4.368 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.247 -6.384 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.490 -5.496 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.418 -7.274 -1.172 1.00 0.00 H new ATOM 1039 N LYS A 203 2.203 -8.099 -5.909 1.00 0.00 N ATOM 1040 CA LYS A 203 2.241 -8.141 -7.366 1.00 0.00 C ATOM 1041 C LYS A 203 1.257 -9.175 -7.900 1.00 0.00 C ATOM 1042 O LYS A 203 0.645 -8.975 -8.951 1.00 0.00 O ATOM 1043 CB LYS A 203 3.651 -8.460 -7.863 1.00 0.00 C ATOM 1044 CG LYS A 203 4.680 -7.404 -7.503 1.00 0.00 C ATOM 1045 CD LYS A 203 6.067 -7.793 -7.984 1.00 0.00 C ATOM 1046 CE LYS A 203 7.100 -6.740 -7.620 1.00 0.00 C ATOM 1047 NZ LYS A 203 8.464 -7.129 -8.060 1.00 0.00 N ATOM 0 H LYS A 203 3.052 -8.436 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 203 1.954 -7.157 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.965 -9.417 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.627 -8.576 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 203 4.394 -6.450 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.695 -7.262 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.351 -8.749 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 203 6.053 -7.931 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.827 -5.790 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.097 -6.585 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 9.140 -6.385 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 8.735 -8.023 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.474 -7.252 -9.093 1.00 0.00 H new ATOM 1061 N ALA A 204 1.110 -10.275 -7.168 1.00 0.00 N ATOM 1062 CA ALA A 204 0.180 -11.330 -7.547 1.00 0.00 C ATOM 1063 C ALA A 204 -1.258 -10.831 -7.457 1.00 0.00 C ATOM 1064 O ALA A 204 -2.088 -11.134 -8.316 1.00 0.00 O ATOM 1065 CB ALA A 204 0.376 -12.554 -6.666 1.00 0.00 C ATOM 0 H ALA A 204 1.625 -10.458 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 204 0.382 -11.614 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.327 -13.332 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 204 1.395 -12.924 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 204 0.200 -12.285 -5.625 1.00 0.00 H new ATOM 1071 N LEU A 205 -1.544 -10.065 -6.409 1.00 0.00 N ATOM 1072 CA LEU A 205 -2.850 -9.443 -6.247 1.00 0.00 C ATOM 1073 C LEU A 205 -3.117 -8.466 -7.382 1.00 0.00 C ATOM 1074 O LEU A 205 -4.162 -8.518 -8.034 1.00 0.00 O ATOM 1075 CB LEU A 205 -2.928 -8.707 -4.908 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.090 -9.595 -3.675 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -2.650 -8.850 -2.426 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -4.537 -10.036 -3.533 1.00 0.00 C ATOM 0 H LEU A 205 -0.885 -9.861 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 205 -3.606 -10.228 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.023 -8.111 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -3.766 -8.011 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 205 -2.461 -10.477 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -2.771 -9.495 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -1.603 -8.564 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -3.260 -7.955 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -4.640 -10.668 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -5.176 -9.159 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -4.835 -10.597 -4.419 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.155 -7.589 -7.621 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.288 -6.602 -8.668 1.00 0.00 C ATOM 1092 C GLY A 206 -2.602 -5.233 -8.106 1.00 0.00 C ATOM 1093 O GLY A 206 -3.158 -5.123 -7.015 1.00 0.00 O ATOM 0 H GLY A 206 -1.278 -7.544 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.364 -6.556 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.078 -6.904 -9.355 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.269 -4.164 -8.839 1.00 0.00 N ATOM 1098 CA PRO A 207 -2.483 -2.790 -8.377 1.00 0.00 C ATOM 1099 C PRO A 207 -3.951 -2.373 -8.434 1.00 0.00 C ATOM 1100 O PRO A 207 -4.303 -1.260 -8.049 1.00 0.00 O ATOM 1101 CB PRO A 207 -1.656 -1.961 -9.357 1.00 0.00 C ATOM 1102 CG PRO A 207 -1.631 -2.768 -10.607 1.00 0.00 C ATOM 1103 CD PRO A 207 -1.652 -4.209 -10.178 1.00 0.00 C ATOM 0 HA PRO A 207 -2.196 -2.662 -7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -2.106 -0.983 -9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -0.649 -1.787 -8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -2.490 -2.537 -11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -0.738 -2.550 -11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.232 -4.824 -10.866 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -0.648 -4.631 -10.143 1.00 0.00 H new ATOM 1111 N ALA A 208 -4.799 -3.267 -8.926 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.223 -2.987 -9.029 1.00 0.00 C ATOM 1113 C ALA A 208 -6.966 -3.493 -7.796 1.00 0.00 C ATOM 1114 O ALA A 208 -8.153 -3.212 -7.611 1.00 0.00 O ATOM 1115 CB ALA A 208 -6.796 -3.608 -10.292 1.00 0.00 C ATOM 0 H ALA A 208 -4.525 -4.191 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 208 -6.356 -1.907 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -7.862 -3.389 -10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -6.289 -3.193 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -6.648 -4.688 -10.266 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.262 -4.254 -6.968 1.00 0.00 N ATOM 1122 CA ALA A 209 -6.812 -4.717 -5.704 1.00 0.00 C ATOM 1123 C ALA A 209 -6.640 -3.628 -4.654 1.00 0.00 C ATOM 1124 O ALA A 209 -5.862 -2.697 -4.848 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.138 -6.014 -5.275 1.00 0.00 C ATOM 0 H ALA A 209 -5.307 -4.563 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 209 -7.876 -4.925 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -6.561 -6.347 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.303 -6.778 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.068 -5.846 -5.156 1.00 0.00 H new ATOM 1131 N THR A 210 -7.353 -3.743 -3.546 1.00 0.00 N ATOM 1132 CA THR A 210 -7.427 -2.654 -2.585 1.00 0.00 C ATOM 1133 C THR A 210 -6.413 -2.801 -1.459 1.00 0.00 C ATOM 1134 O THR A 210 -5.822 -3.870 -1.281 1.00 0.00 O ATOM 1135 CB THR A 210 -8.834 -2.545 -1.979 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.204 -3.794 -1.380 1.00 0.00 O ATOM 1137 CG2 THR A 210 -9.851 -2.170 -3.043 1.00 0.00 C ATOM 0 H THR A 210 -7.886 -4.574 -3.290 1.00 0.00 H new ATOM 0 HA THR A 210 -7.193 -1.746 -3.140 1.00 0.00 H new ATOM 0 HB THR A 210 -8.821 -1.764 -1.218 1.00 0.00 H new ATOM 0 HG1 THR A 210 -9.446 -4.434 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 210 -10.840 -2.098 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 210 -9.582 -1.209 -3.481 1.00 0.00 H new ATOM 0 HG23 THR A 210 -9.862 -2.933 -3.821 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.226 -1.726 -0.698 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.307 -1.726 0.436 1.00 0.00 C ATOM 1147 C LEU A 211 -5.638 -2.860 1.401 1.00 0.00 C ATOM 1148 O LEU A 211 -4.751 -3.599 1.833 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.374 -0.390 1.174 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.457 -0.270 2.395 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.998 -0.222 1.969 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.823 0.958 3.213 1.00 0.00 C ATOM 0 H LEU A 211 -6.703 -0.837 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.298 -1.875 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.124 0.406 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.402 -0.222 1.494 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.596 -1.152 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.364 -0.137 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.747 -1.134 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.836 0.640 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.163 1.030 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.713 1.851 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.856 0.875 3.552 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.922 -3.007 1.713 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.373 -4.017 2.656 1.00 0.00 C ATOM 1166 C GLU A 212 -7.000 -5.418 2.173 1.00 0.00 C ATOM 1167 O GLU A 212 -6.634 -6.280 2.975 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.883 -3.910 2.865 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.402 -4.833 3.952 1.00 0.00 C ATOM 1170 CD GLU A 212 -10.889 -4.690 4.180 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.672 -5.298 3.419 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -11.283 -3.978 5.128 1.00 0.00 O ATOM 0 H GLU A 212 -7.670 -2.434 1.322 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.874 -3.842 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -9.136 -2.881 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.390 -4.141 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -9.178 -5.865 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -8.874 -4.624 4.883 1.00 0.00 H new ATOM 1180 N GLU A 213 -7.064 -5.634 0.862 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.688 -6.916 0.290 1.00 0.00 C ATOM 1182 C GLU A 213 -5.201 -7.172 0.496 1.00 0.00 C ATOM 1183 O GLU A 213 -4.794 -8.287 0.808 1.00 0.00 O ATOM 1184 CB GLU A 213 -7.052 -6.959 -1.194 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.552 -6.945 -1.435 1.00 0.00 C ATOM 1186 CD GLU A 213 -8.916 -6.793 -2.894 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.252 -5.663 -3.309 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -8.887 -7.798 -3.628 1.00 0.00 O ATOM 0 H GLU A 213 -7.372 -4.939 0.181 1.00 0.00 H new ATOM 0 HA GLU A 213 -7.240 -7.706 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.600 -6.105 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.625 -7.857 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.984 -7.870 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.998 -6.127 -0.868 1.00 0.00 H new ATOM 1196 N MET A 214 -4.401 -6.120 0.356 1.00 0.00 N ATOM 1197 CA MET A 214 -2.960 -6.208 0.585 1.00 0.00 C ATOM 1198 C MET A 214 -2.674 -6.543 2.044 1.00 0.00 C ATOM 1199 O MET A 214 -1.870 -7.425 2.353 1.00 0.00 O ATOM 1200 CB MET A 214 -2.286 -4.878 0.230 1.00 0.00 C ATOM 1201 CG MET A 214 -2.594 -4.399 -1.175 1.00 0.00 C ATOM 1202 SD MET A 214 -1.952 -5.505 -2.438 1.00 0.00 S ATOM 1203 CE MET A 214 -3.266 -5.397 -3.643 1.00 0.00 C ATOM 0 H MET A 214 -4.726 -5.192 0.084 1.00 0.00 H new ATOM 0 HA MET A 214 -2.560 -6.998 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.604 -4.117 0.943 1.00 0.00 H new ATOM 0 HB3 MET A 214 -1.207 -4.986 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 214 -3.673 -4.305 -1.294 1.00 0.00 H new ATOM 0 HG3 MET A 214 -2.169 -3.405 -1.317 1.00 0.00 H new ATOM 0 HE1 MET A 214 -2.933 -5.833 -4.585 1.00 0.00 H new ATOM 0 HE2 MET A 214 -4.138 -5.940 -3.280 1.00 0.00 H new ATOM 0 HE3 MET A 214 -3.530 -4.351 -3.801 1.00 0.00 H new ATOM 1213 N MET A 215 -3.358 -5.838 2.936 1.00 0.00 N ATOM 1214 CA MET A 215 -3.159 -6.002 4.372 1.00 0.00 C ATOM 1215 C MET A 215 -3.554 -7.400 4.824 1.00 0.00 C ATOM 1216 O MET A 215 -2.920 -7.982 5.702 1.00 0.00 O ATOM 1217 CB MET A 215 -3.978 -4.963 5.140 1.00 0.00 C ATOM 1218 CG MET A 215 -3.680 -3.528 4.734 1.00 0.00 C ATOM 1219 SD MET A 215 -4.669 -2.323 5.639 1.00 0.00 S ATOM 1220 CE MET A 215 -3.883 -2.380 7.247 1.00 0.00 C ATOM 0 H MET A 215 -4.061 -5.142 2.688 1.00 0.00 H new ATOM 0 HA MET A 215 -2.099 -5.857 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 215 -5.038 -5.162 4.985 1.00 0.00 H new ATOM 0 HB3 MET A 215 -3.785 -5.077 6.207 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.623 -3.321 4.900 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.864 -3.412 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.495 -1.841 7.970 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.776 -3.418 7.563 1.00 0.00 H new ATOM 0 HE3 MET A 215 -2.899 -1.916 7.187 1.00 0.00 H new ATOM 1230 N THR A 216 -4.608 -7.927 4.223 1.00 0.00 N ATOM 1231 CA THR A 216 -5.101 -9.253 4.558 1.00 0.00 C ATOM 1232 C THR A 216 -4.244 -10.345 3.913 1.00 0.00 C ATOM 1233 O THR A 216 -3.958 -11.373 4.532 1.00 0.00 O ATOM 1234 CB THR A 216 -6.571 -9.414 4.119 1.00 0.00 C ATOM 1235 OG1 THR A 216 -7.351 -8.333 4.651 1.00 0.00 O ATOM 1236 CG2 THR A 216 -7.145 -10.740 4.595 1.00 0.00 C ATOM 0 H THR A 216 -5.142 -7.453 3.495 1.00 0.00 H new ATOM 0 HA THR A 216 -5.039 -9.362 5.641 1.00 0.00 H new ATOM 0 HB THR A 216 -6.607 -9.398 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 216 -7.269 -7.551 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 216 -8.182 -10.825 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.564 -11.560 4.173 1.00 0.00 H new ATOM 0 HG23 THR A 216 -7.100 -10.786 5.683 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.811 -10.108 2.682 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.989 -11.074 1.963 1.00 0.00 C ATOM 1246 C ALA A 217 -1.623 -11.230 2.623 1.00 0.00 C ATOM 1247 O ALA A 217 -0.965 -12.262 2.482 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.830 -10.654 0.509 1.00 0.00 C ATOM 0 H ALA A 217 -4.015 -9.256 2.160 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.493 -12.040 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.214 -11.384 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.811 -10.600 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.351 -9.676 0.463 1.00 0.00 H new ATOM 1254 N CYS A 218 -1.207 -10.204 3.355 1.00 0.00 N ATOM 1255 CA CYS A 218 0.083 -10.221 4.024 1.00 0.00 C ATOM 1256 C CYS A 218 -0.088 -10.272 5.546 1.00 0.00 C ATOM 1257 O CYS A 218 0.819 -9.911 6.301 1.00 0.00 O ATOM 1258 CB CYS A 218 0.898 -8.992 3.611 1.00 0.00 C ATOM 1259 SG CYS A 218 2.605 -9.005 4.202 1.00 0.00 S ATOM 0 H CYS A 218 -1.746 -9.350 3.499 1.00 0.00 H new ATOM 0 HA CYS A 218 0.620 -11.120 3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.902 -8.921 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 218 0.402 -8.097 3.987 1.00 0.00 H new ATOM 0 HG CYS A 218 2.630 -9.377 5.448 1.00 0.00 H new ATOM 1472 N THR B 2 -2.993 4.846 -3.092 1.00 0.00 N ATOM 1473 CA THR B 2 -2.216 6.027 -2.817 1.00 0.00 C ATOM 1474 C THR B 2 -2.484 6.492 -1.382 1.00 0.00 C ATOM 1475 O THR B 2 -3.186 5.802 -0.639 1.00 0.00 O ATOM 1476 CB THR B 2 -2.565 7.131 -3.838 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.388 8.137 -3.240 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.315 6.569 -5.034 1.00 0.00 C ATOM 0 HA THR B 2 -1.154 5.803 -2.912 1.00 0.00 H new ATOM 0 HB THR B 2 -1.618 7.560 -4.166 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.853 8.639 -3.942 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.544 7.375 -5.731 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.697 5.822 -5.533 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.243 6.106 -4.697 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.932 7.635 -0.984 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.203 8.189 0.342 1.00 0.00 C ATOM 1488 C PHE B 3 -3.701 8.441 0.496 1.00 0.00 C ATOM 1489 O PHE B 3 -4.258 8.281 1.586 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.415 9.488 0.550 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.529 10.075 1.936 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.489 9.261 3.059 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.658 11.444 2.114 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.576 9.799 4.330 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.742 11.989 3.385 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.700 11.166 4.493 1.00 0.00 C ATOM 0 H PHE B 3 -1.298 8.194 -1.555 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.884 7.473 1.100 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.363 9.298 0.335 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.760 10.227 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.389 8.192 2.939 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.693 12.093 1.252 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.547 9.152 5.194 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -1.840 13.057 3.509 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.764 11.589 5.485 1.00 0.00 H new ATOM 1526 N ASP B 5 -6.104 6.617 -0.794 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.686 5.309 -0.479 1.00 0.00 C ATOM 1528 C ASP B 5 -6.481 4.974 0.988 1.00 0.00 C ATOM 1529 O ASP B 5 -7.374 4.443 1.652 1.00 0.00 O ATOM 1530 CB ASP B 5 -6.057 4.204 -1.337 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.369 4.339 -2.813 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -7.334 3.712 -3.283 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -5.616 5.044 -3.523 1.00 0.00 O ATOM 0 HA ASP B 5 -7.753 5.364 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -4.976 4.218 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -6.411 3.235 -0.985 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.294 5.294 1.484 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.958 5.092 2.884 1.00 0.00 C ATOM 1541 C LEU B 6 -5.923 5.851 3.786 1.00 0.00 C ATOM 1542 O LEU B 6 -6.483 5.294 4.732 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.525 5.562 3.152 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.553 4.470 3.580 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.108 3.729 4.782 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.273 3.515 2.428 1.00 0.00 C ATOM 0 H LEU B 6 -4.540 5.699 0.929 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.038 4.028 3.105 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.140 6.035 2.249 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.550 6.328 3.927 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.607 4.930 3.863 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.409 2.949 5.084 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.250 4.428 5.606 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.065 3.277 4.521 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.577 2.743 2.756 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.205 3.050 2.106 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.837 4.067 1.595 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.115 7.122 3.474 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.002 7.980 4.243 1.00 0.00 C ATOM 1560 C LEU B 7 -8.430 7.456 4.227 1.00 0.00 C ATOM 1561 O LEU B 7 -9.039 7.262 5.282 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.986 9.402 3.680 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.677 10.174 3.884 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.796 11.593 3.347 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.298 10.200 5.356 1.00 0.00 C ATOM 0 H LEU B 7 -5.664 7.586 2.686 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.641 7.985 5.272 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.198 9.354 2.612 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.797 9.966 4.141 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.892 9.661 3.329 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.855 12.121 3.503 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.022 11.561 2.281 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.596 12.115 3.872 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.367 10.752 5.482 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.089 10.687 5.927 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.167 9.180 5.716 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.551 4.659 3.604 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.667 3.361 4.256 1.00 0.00 C ATOM 1599 C TYR B 9 -9.933 3.525 5.747 1.00 0.00 C ATOM 1600 O TYR B 9 -10.904 2.984 6.280 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.398 2.530 4.053 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.435 1.213 4.795 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -9.283 0.192 4.389 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.640 1.002 5.915 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -9.342 -1.001 5.079 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.689 -0.193 6.608 1.00 0.00 C ATOM 1607 CZ TYR B 9 -8.543 -1.190 6.187 1.00 0.00 C ATOM 1608 OH TYR B 9 -8.604 -2.379 6.878 1.00 0.00 O ATOM 0 HA TYR B 9 -10.508 2.839 3.799 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.261 2.338 2.989 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.535 3.106 4.387 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.907 0.334 3.519 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.974 1.784 6.249 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -10.011 -1.784 4.753 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -7.062 -0.345 7.474 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.978 -2.352 7.631 1.00 0.00 H new ATOM 1618 N TYR B 10 -9.057 4.263 6.415 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.159 4.461 7.853 1.00 0.00 C ATOM 1620 C TYR B 10 -10.353 5.345 8.205 1.00 0.00 C ATOM 1621 O TYR B 10 -11.140 5.016 9.091 1.00 0.00 O ATOM 1622 CB TYR B 10 -7.867 5.070 8.403 1.00 0.00 C ATOM 1623 CG TYR B 10 -6.729 4.077 8.540 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -6.685 3.202 9.619 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.693 4.027 7.614 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -5.644 2.310 9.775 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.652 3.130 7.762 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.630 2.277 8.843 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.586 1.395 9.001 1.00 0.00 O ATOM 0 H TYR B 10 -8.264 4.736 5.981 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.312 3.486 8.315 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.551 5.881 7.747 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -8.071 5.510 9.379 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.481 3.221 10.349 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.702 4.698 6.768 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.624 1.641 10.623 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -3.857 3.098 7.031 1.00 0.00 H new ATOM 0 HH TYR B 10 -3.644 0.694 8.319 1.00 0.00 H new