USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 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 Single : A 14 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-13!) USER MOD Single : A 16 SER OG : rot 128:sc= -0.318 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0407 K(o=-0.041,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 41:sc= 0.247 USER MOD Single : A 46 TYR OH : rot 31:sc= 0.829 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.98! K(o=-4!,f=-1.5) USER MOD Single : A 62 SER OG : rot 82:sc= 0.00424 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= -0.0216 (180deg=-0.395) USER MOD Single : A 72 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.1!) USER MOD Single : A 73 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.26 X(o=-1.3,f=-1) USER MOD Single : A 82 THR OG1 : rot 100:sc= -1.79! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.1!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -5.236 -18.337 2.987 1.00 0.00 N ATOM 151 CA HIS A 14 -3.788 -18.311 2.864 1.00 0.00 C ATOM 152 C HIS A 14 -3.215 -17.224 3.775 1.00 0.00 C ATOM 153 O HIS A 14 -3.820 -16.167 3.943 1.00 0.00 O ATOM 154 CB HIS A 14 -3.370 -18.141 1.402 1.00 0.00 C ATOM 155 CG HIS A 14 -2.022 -18.738 1.075 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.857 -17.990 1.054 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.665 -20.015 0.759 1.00 0.00 C ATOM 158 CE1 HIS A 14 0.148 -18.792 0.737 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.355 -20.047 0.553 1.00 0.00 N ATOM 0 HA HIS A 14 -3.374 -19.265 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.124 -18.601 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.353 -17.078 1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.336 -20.859 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.184 -18.503 0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.187 -20.873 0.299 1.00 0.00 H new ATOM 167 N PRO A 15 -2.022 -17.530 4.354 1.00 0.00 N ATOM 168 CA PRO A 15 -1.360 -16.591 5.243 1.00 0.00 C ATOM 169 C PRO A 15 -0.723 -15.445 4.455 1.00 0.00 C ATOM 170 O PRO A 15 -0.515 -14.358 4.992 1.00 0.00 O ATOM 171 CB PRO A 15 -0.343 -17.424 6.007 1.00 0.00 C ATOM 172 CG PRO A 15 -0.150 -18.694 5.195 1.00 0.00 C ATOM 173 CD PRO A 15 -1.276 -18.772 4.177 1.00 0.00 C ATOM 0 HA PRO A 15 -2.052 -16.102 5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.598 -16.885 6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.701 -17.653 7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.818 -18.683 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.162 -19.569 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.887 -18.859 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.909 -19.642 4.352 1.00 0.00 H new ATOM 181 N SER A 16 -0.431 -15.727 3.194 1.00 0.00 N ATOM 182 CA SER A 16 0.178 -14.733 2.326 1.00 0.00 C ATOM 183 C SER A 16 -0.896 -13.799 1.765 1.00 0.00 C ATOM 184 O SER A 16 -0.581 -12.806 1.111 1.00 0.00 O ATOM 185 CB SER A 16 0.951 -15.398 1.185 1.00 0.00 C ATOM 186 OG SER A 16 1.451 -14.444 0.252 1.00 0.00 O ATOM 0 H SER A 16 -0.605 -16.630 2.752 1.00 0.00 H new ATOM 0 HA SER A 16 0.885 -14.150 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.781 -15.973 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.300 -16.103 0.669 1.00 0.00 H new ATOM 0 HG SER A 16 2.412 -14.585 0.123 1.00 0.00 H new ATOM 192 N ILE A 17 -2.144 -14.151 2.042 1.00 0.00 N ATOM 193 CA ILE A 17 -3.266 -13.356 1.573 1.00 0.00 C ATOM 194 C ILE A 17 -3.870 -12.589 2.751 1.00 0.00 C ATOM 195 O ILE A 17 -4.317 -11.454 2.593 1.00 0.00 O ATOM 196 CB ILE A 17 -4.274 -14.238 0.832 1.00 0.00 C ATOM 197 CG1 ILE A 17 -3.631 -14.898 -0.389 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.528 -13.443 0.461 1.00 0.00 C ATOM 199 CD1 ILE A 17 -3.629 -13.948 -1.589 1.00 0.00 C ATOM 0 H ILE A 17 -2.402 -14.975 2.585 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.931 -12.615 0.848 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.587 -15.038 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.609 -15.192 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.174 -15.809 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.228 -14.092 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.998 -13.061 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.252 -12.609 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.166 -14.442 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.654 -13.675 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.065 -13.049 -1.340 1.00 0.00 H new ATOM 211 N SER A 18 -3.862 -13.239 3.905 1.00 0.00 N ATOM 212 CA SER A 18 -4.403 -12.632 5.110 1.00 0.00 C ATOM 213 C SER A 18 -3.502 -11.482 5.566 1.00 0.00 C ATOM 214 O SER A 18 -3.979 -10.510 6.150 1.00 0.00 O ATOM 215 CB SER A 18 -4.552 -13.665 6.228 1.00 0.00 C ATOM 216 OG SER A 18 -5.046 -13.082 7.431 1.00 0.00 O ATOM 0 H SER A 18 -3.490 -14.180 4.032 1.00 0.00 H new ATOM 0 HA SER A 18 -5.394 -12.240 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.229 -14.455 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.586 -14.132 6.421 1.00 0.00 H new ATOM 0 HG SER A 18 -5.129 -13.774 8.120 1.00 0.00 H new ATOM 222 N ARG A 19 -2.217 -11.631 5.282 1.00 0.00 N ATOM 223 CA ARG A 19 -1.245 -10.617 5.656 1.00 0.00 C ATOM 224 C ARG A 19 -1.582 -9.286 4.982 1.00 0.00 C ATOM 225 O ARG A 19 -1.760 -8.272 5.656 1.00 0.00 O ATOM 226 CB ARG A 19 0.171 -11.039 5.259 1.00 0.00 C ATOM 227 CG ARG A 19 1.204 -10.026 5.757 1.00 0.00 C ATOM 228 CD ARG A 19 1.555 -10.277 7.225 1.00 0.00 C ATOM 229 NE ARG A 19 3.024 -10.345 7.389 1.00 0.00 N ATOM 230 CZ ARG A 19 3.652 -10.289 8.572 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.942 -10.164 9.701 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.989 -10.359 8.625 1.00 0.00 N ATOM 0 H ARG A 19 -1.826 -12.439 4.797 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.286 -10.500 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.391 -12.023 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.237 -11.129 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.105 -10.091 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.813 -9.015 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.148 -9.479 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.100 -11.208 7.562 1.00 0.00 H new ATOM 0 HE ARG A 19 3.595 -10.440 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.924 -10.112 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.419 -10.121 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.529 -10.455 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.467 -10.316 9.525 1.00 0.00 H new ATOM 246 N LEU A 20 -1.658 -9.331 3.660 1.00 0.00 N ATOM 247 CA LEU A 20 -1.969 -8.141 2.887 1.00 0.00 C ATOM 248 C LEU A 20 -3.247 -7.502 3.435 1.00 0.00 C ATOM 249 O LEU A 20 -3.320 -6.284 3.589 1.00 0.00 O ATOM 250 CB LEU A 20 -2.039 -8.473 1.395 1.00 0.00 C ATOM 251 CG LEU A 20 -0.701 -8.751 0.707 1.00 0.00 C ATOM 252 CD1 LEU A 20 0.145 -9.727 1.527 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.914 -9.241 -0.727 1.00 0.00 C ATOM 0 H LEU A 20 -1.509 -10.173 3.105 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.173 -7.403 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.679 -9.346 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.524 -7.643 0.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.146 -7.815 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.091 -9.907 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.340 -9.301 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.392 -10.669 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.052 -9.431 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.498 -10.161 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.448 -8.480 -1.296 1.00 0.00 H new ATOM 265 N GLN A 21 -4.223 -8.353 3.714 1.00 0.00 N ATOM 266 CA GLN A 21 -5.494 -7.887 4.242 1.00 0.00 C ATOM 267 C GLN A 21 -5.265 -6.957 5.434 1.00 0.00 C ATOM 268 O GLN A 21 -6.100 -6.103 5.730 1.00 0.00 O ATOM 269 CB GLN A 21 -6.392 -9.064 4.629 1.00 0.00 C ATOM 270 CG GLN A 21 -7.095 -9.645 3.401 1.00 0.00 C ATOM 271 CD GLN A 21 -8.264 -10.543 3.812 1.00 0.00 C ATOM 272 OE1 GLN A 21 -8.876 -10.371 4.853 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.539 -11.507 2.938 1.00 0.00 N ATOM 0 H GLN A 21 -4.159 -9.363 3.584 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.005 -7.324 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.795 -9.838 5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.135 -8.736 5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.459 -8.835 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.383 -10.218 2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.987 -11.595 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.302 -12.158 3.121 1.00 0.00 H new ATOM 282 N GLU A 22 -4.129 -7.154 6.088 1.00 0.00 N ATOM 283 CA GLU A 22 -3.780 -6.343 7.242 1.00 0.00 C ATOM 284 C GLU A 22 -2.965 -5.123 6.806 1.00 0.00 C ATOM 285 O GLU A 22 -2.955 -4.102 7.491 1.00 0.00 O ATOM 286 CB GLU A 22 -3.019 -7.168 8.281 1.00 0.00 C ATOM 287 CG GLU A 22 -3.827 -7.301 9.574 1.00 0.00 C ATOM 288 CD GLU A 22 -2.941 -7.077 10.800 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.221 -8.033 11.163 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.003 -5.955 11.348 1.00 0.00 O ATOM 0 H GLU A 22 -3.439 -7.863 5.841 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.701 -5.993 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.805 -8.158 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.060 -6.696 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.642 -6.578 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.279 -8.291 9.624 1.00 0.00 H new ATOM 297 N ILE A 23 -2.301 -5.271 5.669 1.00 0.00 N ATOM 298 CA ILE A 23 -1.485 -4.194 5.134 1.00 0.00 C ATOM 299 C ILE A 23 -2.374 -3.226 4.351 1.00 0.00 C ATOM 300 O ILE A 23 -2.097 -2.029 4.295 1.00 0.00 O ATOM 301 CB ILE A 23 -0.322 -4.759 4.316 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.801 -5.255 5.230 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.180 -3.735 3.296 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.260 -6.657 4.822 1.00 0.00 C ATOM 0 H ILE A 23 -2.311 -6.120 5.104 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.029 -3.624 5.943 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.686 -5.620 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.643 -4.565 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.455 -5.268 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.007 -4.162 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.630 -3.472 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.522 -2.840 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.058 -6.986 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.421 -7.349 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.628 -6.635 3.796 1.00 0.00 H new ATOM 316 N GLN A 24 -3.426 -3.781 3.766 1.00 0.00 N ATOM 317 CA GLN A 24 -4.357 -2.982 2.989 1.00 0.00 C ATOM 318 C GLN A 24 -5.116 -2.015 3.900 1.00 0.00 C ATOM 319 O GLN A 24 -5.181 -0.818 3.624 1.00 0.00 O ATOM 320 CB GLN A 24 -5.325 -3.873 2.208 1.00 0.00 C ATOM 321 CG GLN A 24 -4.706 -4.328 0.885 1.00 0.00 C ATOM 322 CD GLN A 24 -5.428 -3.693 -0.305 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.627 -3.469 -0.290 1.00 0.00 O ATOM 324 NE2 GLN A 24 -4.633 -3.416 -1.335 1.00 0.00 N ATOM 0 H GLN A 24 -3.653 -4.774 3.815 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.788 -2.398 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.589 -4.744 2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.249 -3.329 2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.650 -4.057 0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.758 -5.414 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.637 -3.629 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.019 -2.990 -2.177 1.00 0.00 H new ATOM 333 N ARG A 25 -5.671 -2.570 4.967 1.00 0.00 N ATOM 334 CA ARG A 25 -6.423 -1.772 5.921 1.00 0.00 C ATOM 335 C ARG A 25 -5.559 -0.625 6.450 1.00 0.00 C ATOM 336 O ARG A 25 -6.081 0.400 6.886 1.00 0.00 O ATOM 337 CB ARG A 25 -6.901 -2.625 7.097 1.00 0.00 C ATOM 338 CG ARG A 25 -5.716 -3.201 7.875 1.00 0.00 C ATOM 339 CD ARG A 25 -6.186 -3.891 9.157 1.00 0.00 C ATOM 340 NE ARG A 25 -5.457 -3.341 10.323 1.00 0.00 N ATOM 341 CZ ARG A 25 -5.461 -3.898 11.542 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.155 -5.023 11.762 1.00 0.00 N ATOM 343 NH2 ARG A 25 -4.771 -3.330 12.540 1.00 0.00 N ATOM 0 H ARG A 25 -5.615 -3.563 5.192 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.293 -1.368 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.518 -2.021 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.529 -3.437 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.178 -3.914 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.016 -2.403 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.258 -3.745 9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.016 -4.965 9.085 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.918 -2.485 10.190 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.680 -5.455 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.158 -5.447 12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.243 -2.474 12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.774 -3.754 13.468 1.00 0.00 H new ATOM 357 N GLU A 26 -4.252 -0.836 6.394 1.00 0.00 N ATOM 358 CA GLU A 26 -3.312 0.168 6.862 1.00 0.00 C ATOM 359 C GLU A 26 -3.243 1.333 5.873 1.00 0.00 C ATOM 360 O GLU A 26 -3.564 2.468 6.222 1.00 0.00 O ATOM 361 CB GLU A 26 -1.927 -0.442 7.088 1.00 0.00 C ATOM 362 CG GLU A 26 -1.878 -1.221 8.403 1.00 0.00 C ATOM 363 CD GLU A 26 -1.140 -0.428 9.484 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.758 0.521 10.013 1.00 0.00 O ATOM 365 OE2 GLU A 26 0.025 -0.788 9.756 1.00 0.00 O ATOM 0 H GLU A 26 -3.822 -1.687 6.032 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.666 0.551 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.678 -1.105 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.176 0.348 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.892 -1.441 8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.380 -2.177 8.245 1.00 0.00 H new ATOM 372 N VAL A 27 -2.823 1.013 4.658 1.00 0.00 N ATOM 373 CA VAL A 27 -2.708 2.019 3.616 1.00 0.00 C ATOM 374 C VAL A 27 -4.068 2.689 3.409 1.00 0.00 C ATOM 375 O VAL A 27 -4.138 3.836 2.968 1.00 0.00 O ATOM 376 CB VAL A 27 -2.151 1.389 2.338 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.814 0.695 2.607 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.159 0.416 1.723 1.00 0.00 C ATOM 0 H VAL A 27 -2.558 0.071 4.372 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.003 2.796 3.912 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.975 2.189 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.440 0.255 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.094 1.424 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.954 -0.089 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.739 -0.018 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.380 -0.378 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.077 0.950 1.478 1.00 0.00 H new ATOM 388 N LYS A 28 -5.114 1.946 3.736 1.00 0.00 N ATOM 389 CA LYS A 28 -6.468 2.454 3.591 1.00 0.00 C ATOM 390 C LYS A 28 -6.791 3.377 4.768 1.00 0.00 C ATOM 391 O LYS A 28 -7.404 4.427 4.587 1.00 0.00 O ATOM 392 CB LYS A 28 -7.458 1.299 3.425 1.00 0.00 C ATOM 393 CG LYS A 28 -7.856 1.125 1.957 1.00 0.00 C ATOM 394 CD LYS A 28 -8.953 2.116 1.565 1.00 0.00 C ATOM 395 CE LYS A 28 -9.138 2.155 0.047 1.00 0.00 C ATOM 396 NZ LYS A 28 -10.182 1.194 -0.373 1.00 0.00 N ATOM 0 H LYS A 28 -5.052 0.996 4.101 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.556 3.052 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.012 0.376 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.347 1.488 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.984 1.272 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.205 0.106 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.891 1.833 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.697 3.111 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.415 3.162 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.196 1.916 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.295 1.233 -1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.902 0.233 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.084 1.440 0.083 1.00 0.00 H new ATOM 410 N ALA A 29 -6.363 2.950 5.947 1.00 0.00 N ATOM 411 CA ALA A 29 -6.599 3.725 7.153 1.00 0.00 C ATOM 412 C ALA A 29 -5.775 5.013 7.096 1.00 0.00 C ATOM 413 O ALA A 29 -5.939 5.897 7.935 1.00 0.00 O ATOM 414 CB ALA A 29 -6.266 2.874 8.380 1.00 0.00 C ATOM 0 H ALA A 29 -5.855 2.078 6.093 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.649 4.008 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.443 3.455 9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.898 1.986 8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.219 2.573 8.341 1.00 0.00 H new ATOM 420 N ILE A 30 -4.907 5.079 6.098 1.00 0.00 N ATOM 421 CA ILE A 30 -4.057 6.244 5.920 1.00 0.00 C ATOM 422 C ILE A 30 -4.339 6.872 4.553 1.00 0.00 C ATOM 423 O ILE A 30 -3.649 7.802 4.139 1.00 0.00 O ATOM 424 CB ILE A 30 -2.588 5.874 6.135 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.125 4.844 5.102 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.348 5.396 7.569 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.414 5.525 3.931 1.00 0.00 C ATOM 0 H ILE A 30 -4.774 4.344 5.403 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.285 7.000 6.672 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.985 6.770 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.453 4.127 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.983 4.281 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.296 5.139 7.696 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.614 6.190 8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.962 4.518 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.095 4.771 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.097 6.223 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.543 6.067 4.300 1.00 0.00 H new ATOM 439 N GLU A 31 -5.354 6.338 3.890 1.00 0.00 N ATOM 440 CA GLU A 31 -5.736 6.834 2.579 1.00 0.00 C ATOM 441 C GLU A 31 -6.316 8.245 2.694 1.00 0.00 C ATOM 442 O GLU A 31 -6.018 9.111 1.873 1.00 0.00 O ATOM 443 CB GLU A 31 -6.728 5.887 1.902 1.00 0.00 C ATOM 444 CG GLU A 31 -7.338 6.532 0.656 1.00 0.00 C ATOM 445 CD GLU A 31 -8.533 5.721 0.149 1.00 0.00 C ATOM 446 OE1 GLU A 31 -9.238 5.150 1.009 1.00 0.00 O ATOM 447 OE2 GLU A 31 -8.715 5.692 -1.088 1.00 0.00 O ATOM 0 H GLU A 31 -5.924 5.566 4.236 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.844 6.879 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.223 4.961 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.519 5.622 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.655 7.549 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.584 6.604 -0.127 1.00 0.00 H new ATOM 454 N PRO A 32 -7.156 8.437 3.746 1.00 0.00 N ATOM 455 CA PRO A 32 -7.780 9.728 3.979 1.00 0.00 C ATOM 456 C PRO A 32 -6.775 10.728 4.554 1.00 0.00 C ATOM 457 O PRO A 32 -7.113 11.887 4.792 1.00 0.00 O ATOM 458 CB PRO A 32 -8.938 9.441 4.921 1.00 0.00 C ATOM 459 CG PRO A 32 -8.641 8.088 5.547 1.00 0.00 C ATOM 460 CD PRO A 32 -7.532 7.435 4.738 1.00 0.00 C ATOM 0 HA PRO A 32 -8.137 10.194 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.021 10.215 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.885 9.422 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.336 8.207 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.534 7.462 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.686 7.167 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.877 6.517 4.262 1.00 0.00 H new ATOM 468 N GLN A 33 -5.560 10.243 4.762 1.00 0.00 N ATOM 469 CA GLN A 33 -4.503 11.080 5.305 1.00 0.00 C ATOM 470 C GLN A 33 -3.748 11.782 4.174 1.00 0.00 C ATOM 471 O GLN A 33 -3.694 13.010 4.128 1.00 0.00 O ATOM 472 CB GLN A 33 -3.548 10.261 6.175 1.00 0.00 C ATOM 473 CG GLN A 33 -4.086 10.125 7.601 1.00 0.00 C ATOM 474 CD GLN A 33 -2.949 9.877 8.595 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.783 10.581 9.577 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.178 8.838 8.286 1.00 0.00 N ATOM 0 H GLN A 33 -5.284 9.281 4.564 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.958 11.841 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.410 9.272 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.569 10.739 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.625 11.031 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.800 9.303 7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.373 8.290 7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.392 8.589 8.887 1.00 0.00 H new ATOM 485 N VAL A 34 -3.184 10.973 3.290 1.00 0.00 N ATOM 486 CA VAL A 34 -2.435 11.501 2.163 1.00 0.00 C ATOM 487 C VAL A 34 -3.370 12.325 1.276 1.00 0.00 C ATOM 488 O VAL A 34 -2.976 13.366 0.750 1.00 0.00 O ATOM 489 CB VAL A 34 -1.748 10.360 1.409 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.653 9.128 1.338 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.319 10.806 0.011 1.00 0.00 C ATOM 0 H VAL A 34 -3.231 9.955 3.331 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.644 12.166 2.509 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.850 10.086 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.142 8.332 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.887 8.789 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.576 9.384 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.834 9.976 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.195 11.121 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.622 11.640 0.093 1.00 0.00 H new ATOM 501 N VAL A 35 -4.591 11.830 1.136 1.00 0.00 N ATOM 502 CA VAL A 35 -5.585 12.508 0.322 1.00 0.00 C ATOM 503 C VAL A 35 -5.868 13.889 0.915 1.00 0.00 C ATOM 504 O VAL A 35 -5.873 14.888 0.197 1.00 0.00 O ATOM 505 CB VAL A 35 -6.840 11.641 0.199 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.946 12.382 -0.556 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.520 10.303 -0.470 1.00 0.00 C ATOM 0 H VAL A 35 -4.914 10.967 1.573 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.211 12.660 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.203 11.433 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.827 11.744 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.203 13.295 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.597 12.635 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.429 9.707 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.120 10.482 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.782 9.766 0.126 1.00 0.00 H new ATOM 517 N GLY A 36 -6.096 13.902 2.220 1.00 0.00 N ATOM 518 CA GLY A 36 -6.379 15.145 2.918 1.00 0.00 C ATOM 519 C GLY A 36 -5.143 15.647 3.666 1.00 0.00 C ATOM 520 O GLY A 36 -5.260 16.251 4.732 1.00 0.00 O ATOM 0 H GLY A 36 -6.091 13.072 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.708 15.900 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.198 14.993 3.622 1.00 0.00 H new ATOM 524 N PHE A 37 -3.986 15.380 3.079 1.00 0.00 N ATOM 525 CA PHE A 37 -2.729 15.797 3.677 1.00 0.00 C ATOM 526 C PHE A 37 -2.402 17.246 3.311 1.00 0.00 C ATOM 527 O PHE A 37 -2.827 17.737 2.266 1.00 0.00 O ATOM 528 CB PHE A 37 -1.640 14.883 3.113 1.00 0.00 C ATOM 529 CG PHE A 37 -0.215 15.368 3.389 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.153 15.713 4.652 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.683 15.453 2.372 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.475 16.163 4.909 1.00 0.00 C ATOM 533 CE2 PHE A 37 2.005 15.904 2.628 1.00 0.00 C ATOM 534 CZ PHE A 37 2.373 16.249 3.891 1.00 0.00 C ATOM 0 H PHE A 37 -3.892 14.880 2.195 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.794 15.730 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.762 13.886 3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.779 14.791 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.561 15.645 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.391 15.178 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.767 16.437 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.718 15.973 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.379 16.591 4.086 1.00 0.00 H new ATOM 544 N SER A 38 -1.649 17.890 4.191 1.00 0.00 N ATOM 545 CA SER A 38 -1.261 19.273 3.973 1.00 0.00 C ATOM 546 C SER A 38 0.125 19.527 4.571 1.00 0.00 C ATOM 547 O SER A 38 0.262 19.691 5.782 1.00 0.00 O ATOM 548 CB SER A 38 -2.284 20.235 4.580 1.00 0.00 C ATOM 549 OG SER A 38 -2.930 21.024 3.584 1.00 0.00 O ATOM 0 H SER A 38 -1.297 17.480 5.056 1.00 0.00 H new ATOM 0 HA SER A 38 -1.226 19.453 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.031 19.667 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.786 20.890 5.295 1.00 0.00 H new ATOM 0 HG SER A 38 -3.577 21.624 4.011 1.00 0.00 H new ATOM 555 N GLY A 39 1.117 19.552 3.693 1.00 0.00 N ATOM 556 CA GLY A 39 2.487 19.783 4.118 1.00 0.00 C ATOM 557 C GLY A 39 3.410 19.976 2.913 1.00 0.00 C ATOM 558 O GLY A 39 3.035 20.623 1.937 1.00 0.00 O ATOM 0 H GLY A 39 0.999 19.416 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.529 20.664 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.834 18.939 4.715 1.00 0.00 H new ATOM 562 N LEU A 40 4.600 19.404 3.022 1.00 0.00 N ATOM 563 CA LEU A 40 5.580 19.505 1.954 1.00 0.00 C ATOM 564 C LEU A 40 6.018 18.100 1.536 1.00 0.00 C ATOM 565 O LEU A 40 5.529 17.107 2.073 1.00 0.00 O ATOM 566 CB LEU A 40 6.738 20.411 2.373 1.00 0.00 C ATOM 567 CG LEU A 40 6.506 21.915 2.212 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.529 22.718 3.018 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.499 22.314 0.735 1.00 0.00 C ATOM 0 H LEU A 40 4.908 18.869 3.834 1.00 0.00 H new ATOM 0 HA LEU A 40 5.139 19.977 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.971 20.209 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.618 20.135 1.792 1.00 0.00 H new ATOM 0 HG LEU A 40 5.521 22.153 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.341 23.783 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.442 22.463 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.534 22.481 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.332 23.388 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.458 22.058 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.702 21.780 0.218 1.00 0.00 H new ATOM 581 N SER A 41 6.935 18.061 0.580 1.00 0.00 N ATOM 582 CA SER A 41 7.445 16.794 0.084 1.00 0.00 C ATOM 583 C SER A 41 8.659 16.359 0.908 1.00 0.00 C ATOM 584 O SER A 41 9.695 17.022 0.892 1.00 0.00 O ATOM 585 CB SER A 41 7.818 16.893 -1.397 1.00 0.00 C ATOM 586 OG SER A 41 8.696 17.985 -1.655 1.00 0.00 O ATOM 0 H SER A 41 7.338 18.886 0.136 1.00 0.00 H new ATOM 0 HA SER A 41 6.659 16.046 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.292 15.964 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.912 17.008 -1.992 1.00 0.00 H new ATOM 0 HG SER A 41 9.368 18.040 -0.944 1.00 0.00 H new ATOM 652 N TYR A 46 4.852 14.421 6.354 1.00 0.00 N ATOM 653 CA TYR A 46 4.931 13.594 5.161 1.00 0.00 C ATOM 654 C TYR A 46 5.827 12.376 5.397 1.00 0.00 C ATOM 655 O TYR A 46 5.463 11.256 5.042 1.00 0.00 O ATOM 656 CB TYR A 46 5.562 14.474 4.080 1.00 0.00 C ATOM 657 CG TYR A 46 5.852 13.738 2.770 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.872 12.810 2.711 1.00 0.00 C ATOM 659 CD2 TYR A 46 5.094 14.003 1.648 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.144 12.117 1.478 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.366 13.310 0.415 1.00 0.00 C ATOM 662 CZ TYR A 46 6.378 12.402 0.391 1.00 0.00 C ATOM 663 OH TYR A 46 6.636 11.748 -0.773 1.00 0.00 O ATOM 0 HA TYR A 46 3.943 13.229 4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.897 15.312 3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.493 14.892 4.464 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.466 12.604 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.297 14.730 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.938 11.388 1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.780 13.507 -0.470 1.00 0.00 H new ATOM 0 HH TYR A 46 6.988 10.855 -0.575 1.00 0.00 H new ATOM 673 N LYS A 47 6.980 12.637 5.995 1.00 0.00 N ATOM 674 CA LYS A 47 7.930 11.576 6.283 1.00 0.00 C ATOM 675 C LYS A 47 7.178 10.353 6.813 1.00 0.00 C ATOM 676 O LYS A 47 7.380 9.239 6.333 1.00 0.00 O ATOM 677 CB LYS A 47 9.027 12.079 7.224 1.00 0.00 C ATOM 678 CG LYS A 47 10.000 13.002 6.488 1.00 0.00 C ATOM 679 CD LYS A 47 10.805 12.228 5.443 1.00 0.00 C ATOM 680 CE LYS A 47 12.121 12.942 5.125 1.00 0.00 C ATOM 681 NZ LYS A 47 13.245 11.979 5.120 1.00 0.00 N ATOM 0 H LYS A 47 7.278 13.568 6.288 1.00 0.00 H new ATOM 0 HA LYS A 47 8.442 11.266 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.577 12.613 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.570 11.231 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.447 13.807 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.678 13.467 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.012 11.223 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.216 12.120 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.050 13.432 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.306 13.722 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.130 12.480 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.322 11.530 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.074 11.249 4.399 1.00 0.00 H new ATOM 695 N ARG A 48 6.326 10.603 7.796 1.00 0.00 N ATOM 696 CA ARG A 48 5.542 9.537 8.397 1.00 0.00 C ATOM 697 C ARG A 48 4.621 8.902 7.353 1.00 0.00 C ATOM 698 O ARG A 48 4.688 7.698 7.112 1.00 0.00 O ATOM 699 CB ARG A 48 4.698 10.062 9.560 1.00 0.00 C ATOM 700 CG ARG A 48 4.348 8.937 10.536 1.00 0.00 C ATOM 701 CD ARG A 48 4.199 9.473 11.961 1.00 0.00 C ATOM 702 NE ARG A 48 2.978 8.917 12.585 1.00 0.00 N ATOM 703 CZ ARG A 48 2.428 9.389 13.712 1.00 0.00 C ATOM 704 NH1 ARG A 48 2.987 10.430 14.345 1.00 0.00 N ATOM 705 NH2 ARG A 48 1.319 8.822 14.206 1.00 0.00 N ATOM 0 H ARG A 48 6.161 11.529 8.192 1.00 0.00 H new ATOM 0 HA ARG A 48 6.237 8.788 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.243 10.847 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.783 10.512 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.420 8.457 10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.126 8.174 10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.074 9.205 12.553 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.146 10.562 11.945 1.00 0.00 H new ATOM 0 HE ARG A 48 2.527 8.124 12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.831 10.862 13.969 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.569 10.790 15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.893 8.030 13.724 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.901 9.182 15.064 1.00 0.00 H new ATOM 719 N LEU A 49 3.784 9.741 6.761 1.00 0.00 N ATOM 720 CA LEU A 49 2.851 9.277 5.749 1.00 0.00 C ATOM 721 C LEU A 49 3.570 8.314 4.801 1.00 0.00 C ATOM 722 O LEU A 49 3.140 7.175 4.624 1.00 0.00 O ATOM 723 CB LEU A 49 2.196 10.464 5.039 1.00 0.00 C ATOM 724 CG LEU A 49 1.291 11.346 5.902 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.674 12.474 5.073 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.227 10.508 6.614 1.00 0.00 C ATOM 0 H LEU A 49 3.733 10.739 6.963 1.00 0.00 H new ATOM 0 HA LEU A 49 2.035 8.721 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.983 11.089 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.609 10.083 4.203 1.00 0.00 H new ATOM 0 HG LEU A 49 1.903 11.812 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.035 13.086 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.467 13.092 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.079 12.048 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.403 11.159 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.387 9.995 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.712 9.772 7.255 1.00 0.00 H new ATOM 738 N GLU A 50 4.652 8.807 4.218 1.00 0.00 N ATOM 739 CA GLU A 50 5.435 8.005 3.293 1.00 0.00 C ATOM 740 C GLU A 50 5.924 6.729 3.980 1.00 0.00 C ATOM 741 O GLU A 50 5.717 5.628 3.473 1.00 0.00 O ATOM 742 CB GLU A 50 6.609 8.808 2.729 1.00 0.00 C ATOM 743 CG GLU A 50 7.452 7.954 1.780 1.00 0.00 C ATOM 744 CD GLU A 50 8.235 8.831 0.801 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.661 9.143 -0.265 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.389 9.170 1.140 1.00 0.00 O ATOM 0 H GLU A 50 5.005 9.752 4.368 1.00 0.00 H new ATOM 0 HA GLU A 50 4.796 7.722 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.234 9.684 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.231 9.172 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.144 7.339 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.805 7.273 1.227 1.00 0.00 H new ATOM 753 N ARG A 51 6.563 6.919 5.125 1.00 0.00 N ATOM 754 CA ARG A 51 7.083 5.796 5.888 1.00 0.00 C ATOM 755 C ARG A 51 6.041 4.679 5.965 1.00 0.00 C ATOM 756 O ARG A 51 6.361 3.511 5.749 1.00 0.00 O ATOM 757 CB ARG A 51 7.468 6.224 7.305 1.00 0.00 C ATOM 758 CG ARG A 51 8.983 6.146 7.509 1.00 0.00 C ATOM 759 CD ARG A 51 9.539 7.484 8.002 1.00 0.00 C ATOM 760 NE ARG A 51 10.823 7.269 8.707 1.00 0.00 N ATOM 761 CZ ARG A 51 12.012 7.196 8.095 1.00 0.00 C ATOM 762 NH1 ARG A 51 12.090 7.321 6.763 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.125 6.999 8.815 1.00 0.00 N ATOM 0 H ARG A 51 6.733 7.834 5.543 1.00 0.00 H new ATOM 0 HA ARG A 51 7.974 5.432 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.125 7.242 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.966 5.584 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.217 5.363 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.466 5.870 6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.686 8.159 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.823 7.961 8.671 1.00 0.00 H new ATOM 0 HE ARG A 51 10.801 7.170 9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.243 7.472 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.996 7.265 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.066 6.905 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.031 6.943 8.349 1.00 0.00 H new ATOM 777 N ILE A 52 4.815 5.077 6.273 1.00 0.00 N ATOM 778 CA ILE A 52 3.724 4.124 6.381 1.00 0.00 C ATOM 779 C ILE A 52 3.598 3.348 5.068 1.00 0.00 C ATOM 780 O ILE A 52 3.806 2.137 5.036 1.00 0.00 O ATOM 781 CB ILE A 52 2.435 4.831 6.805 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.657 5.664 8.068 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.290 3.830 6.972 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.882 6.982 7.999 1.00 0.00 C ATOM 0 H ILE A 52 4.553 6.047 6.451 1.00 0.00 H new ATOM 0 HA ILE A 52 3.931 3.394 7.164 1.00 0.00 H new ATOM 0 HB ILE A 52 2.146 5.520 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.339 5.097 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.720 5.869 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.386 4.359 7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.113 3.319 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.555 3.099 7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.057 7.555 8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.219 7.558 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.817 6.773 7.901 1.00 0.00 H new ATOM 796 N LEU A 53 3.256 4.079 4.017 1.00 0.00 N ATOM 797 CA LEU A 53 3.100 3.475 2.705 1.00 0.00 C ATOM 798 C LEU A 53 4.350 2.659 2.371 1.00 0.00 C ATOM 799 O LEU A 53 4.260 1.463 2.098 1.00 0.00 O ATOM 800 CB LEU A 53 2.765 4.542 1.661 1.00 0.00 C ATOM 801 CG LEU A 53 1.437 5.278 1.854 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.330 6.475 0.908 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.253 4.320 1.704 1.00 0.00 C ATOM 0 H LEU A 53 3.083 5.084 4.048 1.00 0.00 H new ATOM 0 HA LEU A 53 2.258 2.783 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.568 5.279 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.756 4.070 0.678 1.00 0.00 H new ATOM 0 HG LEU A 53 1.408 5.669 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.377 6.980 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.146 7.170 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.391 6.130 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.679 4.868 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.266 3.878 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.327 3.530 2.452 1.00 0.00 H new ATOM 815 N THR A 54 5.487 3.338 2.405 1.00 0.00 N ATOM 816 CA THR A 54 6.754 2.690 2.109 1.00 0.00 C ATOM 817 C THR A 54 6.886 1.389 2.904 1.00 0.00 C ATOM 818 O THR A 54 7.324 0.372 2.368 1.00 0.00 O ATOM 819 CB THR A 54 7.875 3.692 2.393 1.00 0.00 C ATOM 820 OG1 THR A 54 8.746 3.565 1.273 1.00 0.00 O ATOM 821 CG2 THR A 54 8.740 3.280 3.586 1.00 0.00 C ATOM 0 H THR A 54 5.558 4.330 2.633 1.00 0.00 H new ATOM 0 HA THR A 54 6.815 2.401 1.060 1.00 0.00 H new ATOM 0 HB THR A 54 7.444 4.676 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.501 4.182 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.520 4.025 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.119 3.210 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.198 2.312 3.386 1.00 0.00 H new ATOM 829 N LYS A 55 6.499 1.464 4.169 1.00 0.00 N ATOM 830 CA LYS A 55 6.569 0.305 5.043 1.00 0.00 C ATOM 831 C LYS A 55 5.588 -0.760 4.549 1.00 0.00 C ATOM 832 O LYS A 55 5.956 -1.923 4.391 1.00 0.00 O ATOM 833 CB LYS A 55 6.347 0.718 6.499 1.00 0.00 C ATOM 834 CG LYS A 55 7.674 1.049 7.184 1.00 0.00 C ATOM 835 CD LYS A 55 7.544 2.299 8.057 1.00 0.00 C ATOM 836 CE LYS A 55 8.081 2.042 9.466 1.00 0.00 C ATOM 837 NZ LYS A 55 7.190 2.649 10.480 1.00 0.00 N ATOM 0 H LYS A 55 6.136 2.309 4.610 1.00 0.00 H new ATOM 0 HA LYS A 55 7.564 -0.138 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.687 1.585 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.847 -0.087 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.992 0.205 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.447 1.206 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.091 3.124 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.498 2.601 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.162 0.969 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.085 2.457 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.570 2.465 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.134 3.675 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.240 2.234 10.400 1.00 0.00 H new ATOM 851 N GLN A 56 4.358 -0.325 4.318 1.00 0.00 N ATOM 852 CA GLN A 56 3.321 -1.227 3.846 1.00 0.00 C ATOM 853 C GLN A 56 3.730 -1.853 2.511 1.00 0.00 C ATOM 854 O GLN A 56 3.599 -3.061 2.322 1.00 0.00 O ATOM 855 CB GLN A 56 1.979 -0.503 3.723 1.00 0.00 C ATOM 856 CG GLN A 56 1.481 -0.035 5.092 1.00 0.00 C ATOM 857 CD GLN A 56 1.606 -1.151 6.132 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.543 -1.206 6.912 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.613 -2.035 6.099 1.00 0.00 N ATOM 0 H GLN A 56 4.056 0.640 4.449 1.00 0.00 H new ATOM 0 HA GLN A 56 3.200 -2.025 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.084 0.354 3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.243 -1.168 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.055 0.833 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.441 0.281 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.141 -1.930 5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.605 -2.818 6.753 1.00 0.00 H new ATOM 868 N LEU A 57 4.218 -1.002 1.620 1.00 0.00 N ATOM 869 CA LEU A 57 4.647 -1.457 0.308 1.00 0.00 C ATOM 870 C LEU A 57 5.721 -2.534 0.473 1.00 0.00 C ATOM 871 O LEU A 57 5.556 -3.659 0.003 1.00 0.00 O ATOM 872 CB LEU A 57 5.091 -0.272 -0.551 1.00 0.00 C ATOM 873 CG LEU A 57 5.757 -0.622 -1.884 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.239 -0.944 -1.689 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.011 -1.757 -2.587 1.00 0.00 C ATOM 0 H LEU A 57 4.326 -0.001 1.781 1.00 0.00 H new ATOM 0 HA LEU A 57 3.815 -1.915 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.219 0.350 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.785 0.334 0.031 1.00 0.00 H new ATOM 0 HG LEU A 57 5.701 0.251 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.688 -1.189 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.746 -0.079 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.341 -1.794 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.504 -1.986 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.014 -2.643 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.982 -1.452 -2.780 1.00 0.00 H new ATOM 887 N PHE A 58 6.799 -2.152 1.142 1.00 0.00 N ATOM 888 CA PHE A 58 7.900 -3.071 1.375 1.00 0.00 C ATOM 889 C PHE A 58 7.389 -4.424 1.874 1.00 0.00 C ATOM 890 O PHE A 58 8.022 -5.454 1.645 1.00 0.00 O ATOM 891 CB PHE A 58 8.786 -2.444 2.454 1.00 0.00 C ATOM 892 CG PHE A 58 10.252 -2.874 2.383 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.115 -2.216 1.563 1.00 0.00 C ATOM 894 CD2 PHE A 58 10.694 -3.914 3.139 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.476 -2.614 1.497 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.055 -4.313 3.073 1.00 0.00 C ATOM 897 CZ PHE A 58 12.917 -3.655 2.253 1.00 0.00 C ATOM 0 H PHE A 58 6.933 -1.218 1.530 1.00 0.00 H new ATOM 0 HA PHE A 58 8.447 -3.239 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.732 -1.359 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.388 -2.707 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.765 -1.390 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.009 -4.437 3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.161 -2.090 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.405 -5.139 3.674 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.952 -3.959 2.202 1.00 0.00 H new ATOM 907 N GLU A 59 6.249 -4.378 2.547 1.00 0.00 N ATOM 908 CA GLU A 59 5.645 -5.588 3.080 1.00 0.00 C ATOM 909 C GLU A 59 4.963 -6.378 1.962 1.00 0.00 C ATOM 910 O GLU A 59 4.921 -7.607 2.002 1.00 0.00 O ATOM 911 CB GLU A 59 4.658 -5.259 4.201 1.00 0.00 C ATOM 912 CG GLU A 59 5.340 -5.322 5.569 1.00 0.00 C ATOM 913 CD GLU A 59 5.006 -6.630 6.289 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.542 -7.671 5.853 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.222 -6.559 7.260 1.00 0.00 O ATOM 0 H GLU A 59 5.727 -3.522 2.736 1.00 0.00 H new ATOM 0 HA GLU A 59 6.434 -6.208 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.242 -4.264 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.824 -5.961 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.420 -5.236 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.021 -4.476 6.178 1.00 0.00 H new ATOM 922 N ILE A 60 4.445 -5.640 0.991 1.00 0.00 N ATOM 923 CA ILE A 60 3.766 -6.257 -0.136 1.00 0.00 C ATOM 924 C ILE A 60 4.743 -7.175 -0.874 1.00 0.00 C ATOM 925 O ILE A 60 4.396 -8.302 -1.226 1.00 0.00 O ATOM 926 CB ILE A 60 3.132 -5.189 -1.029 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.084 -4.382 -0.260 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.555 -5.810 -2.303 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.507 -3.263 -1.129 1.00 0.00 C ATOM 0 H ILE A 60 4.482 -4.621 0.961 1.00 0.00 H new ATOM 0 HA ILE A 60 2.942 -6.880 0.210 1.00 0.00 H new ATOM 0 HB ILE A 60 3.913 -4.493 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.281 -5.042 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.534 -3.956 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.111 -5.029 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.351 -6.303 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.791 -6.541 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.765 -2.705 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.308 -2.591 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.036 -3.694 -2.012 1.00 0.00 H new ATOM 941 N ASP A 61 5.944 -6.658 -1.088 1.00 0.00 N ATOM 942 CA ASP A 61 6.973 -7.417 -1.777 1.00 0.00 C ATOM 943 C ASP A 61 7.452 -8.557 -0.875 1.00 0.00 C ATOM 944 O ASP A 61 7.796 -9.634 -1.359 1.00 0.00 O ATOM 945 CB ASP A 61 8.180 -6.536 -2.106 1.00 0.00 C ATOM 946 CG ASP A 61 9.001 -6.989 -3.315 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.358 -8.187 -3.342 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.254 -6.128 -4.185 1.00 0.00 O ATOM 0 H ASP A 61 6.227 -5.723 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 61 6.544 -7.802 -2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.831 -5.519 -2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.834 -6.501 -1.234 1.00 0.00 H new ATOM 953 N SER A 62 7.458 -8.280 0.420 1.00 0.00 N ATOM 954 CA SER A 62 7.889 -9.268 1.395 1.00 0.00 C ATOM 955 C SER A 62 7.014 -10.519 1.292 1.00 0.00 C ATOM 956 O SER A 62 7.511 -11.607 1.005 1.00 0.00 O ATOM 957 CB SER A 62 7.839 -8.700 2.814 1.00 0.00 C ATOM 958 OG SER A 62 9.072 -8.094 3.191 1.00 0.00 O ATOM 0 H SER A 62 7.171 -7.385 0.817 1.00 0.00 H new ATOM 0 HA SER A 62 8.923 -9.536 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.038 -7.964 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.598 -9.499 3.516 1.00 0.00 H new ATOM 0 HG SER A 62 9.110 -7.182 2.835 1.00 0.00 H new ATOM 964 N VAL A 63 5.726 -10.323 1.534 1.00 0.00 N ATOM 965 CA VAL A 63 4.777 -11.422 1.472 1.00 0.00 C ATOM 966 C VAL A 63 5.067 -12.271 0.233 1.00 0.00 C ATOM 967 O VAL A 63 4.809 -11.844 -0.891 1.00 0.00 O ATOM 968 CB VAL A 63 3.346 -10.881 1.505 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.340 -11.968 1.123 1.00 0.00 C ATOM 970 CG2 VAL A 63 3.017 -10.286 2.876 1.00 0.00 C ATOM 0 H VAL A 63 5.317 -9.420 1.773 1.00 0.00 H new ATOM 0 HA VAL A 63 4.885 -12.069 2.342 1.00 0.00 H new ATOM 0 HB VAL A 63 3.272 -10.083 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.331 -11.557 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.555 -12.325 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.416 -12.797 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.994 -9.909 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.117 -11.056 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.705 -9.469 3.092 1.00 0.00 H new ATOM 980 N ASP A 64 5.599 -13.459 0.481 1.00 0.00 N ATOM 981 CA ASP A 64 5.926 -14.373 -0.601 1.00 0.00 C ATOM 982 C ASP A 64 4.655 -14.703 -1.386 1.00 0.00 C ATOM 983 O ASP A 64 3.547 -14.535 -0.879 1.00 0.00 O ATOM 984 CB ASP A 64 6.502 -15.683 -0.061 1.00 0.00 C ATOM 985 CG ASP A 64 7.293 -16.509 -1.077 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.535 -15.973 -2.179 1.00 0.00 O ATOM 987 OD2 ASP A 64 7.637 -17.659 -0.728 1.00 0.00 O ATOM 0 H ASP A 64 5.812 -13.810 1.415 1.00 0.00 H new ATOM 0 HA ASP A 64 6.667 -13.890 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.152 -15.456 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.683 -16.292 0.321 1.00 0.00 H new ATOM 992 N THR A 65 4.857 -15.168 -2.610 1.00 0.00 N ATOM 993 CA THR A 65 3.741 -15.524 -3.469 1.00 0.00 C ATOM 994 C THR A 65 3.760 -17.023 -3.774 1.00 0.00 C ATOM 995 O THR A 65 2.707 -17.645 -3.912 1.00 0.00 O ATOM 996 CB THR A 65 3.811 -14.648 -4.722 1.00 0.00 C ATOM 997 OG1 THR A 65 5.153 -14.801 -5.178 1.00 0.00 O ATOM 998 CG2 THR A 65 3.694 -13.157 -4.402 1.00 0.00 C ATOM 0 H THR A 65 5.777 -15.306 -3.027 1.00 0.00 H new ATOM 0 HA THR A 65 2.787 -15.337 -2.976 1.00 0.00 H new ATOM 0 HB THR A 65 3.015 -14.935 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.286 -14.267 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.750 -12.581 -5.326 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.740 -12.964 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.509 -12.862 -3.741 1.00 0.00 H new ATOM 1006 N GLU A 66 4.967 -17.560 -3.870 1.00 0.00 N ATOM 1007 CA GLU A 66 5.136 -18.975 -4.156 1.00 0.00 C ATOM 1008 C GLU A 66 4.693 -19.284 -5.588 1.00 0.00 C ATOM 1009 O GLU A 66 4.389 -20.430 -5.913 1.00 0.00 O ATOM 1010 CB GLU A 66 4.371 -19.833 -3.148 1.00 0.00 C ATOM 1011 CG GLU A 66 5.314 -20.407 -2.088 1.00 0.00 C ATOM 1012 CD GLU A 66 4.708 -21.647 -1.428 1.00 0.00 C ATOM 1013 OE1 GLU A 66 3.784 -21.460 -0.608 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.183 -22.755 -1.759 1.00 0.00 O ATOM 0 H GLU A 66 5.838 -17.041 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 66 6.194 -19.221 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.599 -19.233 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.865 -20.646 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.269 -20.665 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.518 -19.651 -1.330 1.00 0.00 H new ATOM 1021 N GLY A 67 4.670 -18.241 -6.404 1.00 0.00 N ATOM 1022 CA GLY A 67 4.269 -18.386 -7.793 1.00 0.00 C ATOM 1023 C GLY A 67 2.803 -18.813 -7.899 1.00 0.00 C ATOM 1024 O GLY A 67 2.494 -19.839 -8.503 1.00 0.00 O ATOM 0 H GLY A 67 4.923 -17.292 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.415 -17.442 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.903 -19.125 -8.283 1.00 0.00 H new ATOM 1028 N LYS A 68 1.940 -18.004 -7.302 1.00 0.00 N ATOM 1029 CA LYS A 68 0.515 -18.284 -7.321 1.00 0.00 C ATOM 1030 C LYS A 68 -0.246 -17.012 -7.698 1.00 0.00 C ATOM 1031 O LYS A 68 -0.428 -16.124 -6.866 1.00 0.00 O ATOM 1032 CB LYS A 68 0.071 -18.895 -5.991 1.00 0.00 C ATOM 1033 CG LYS A 68 1.069 -19.952 -5.512 1.00 0.00 C ATOM 1034 CD LYS A 68 0.839 -20.297 -4.040 1.00 0.00 C ATOM 1035 CE LYS A 68 0.558 -21.790 -3.864 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.667 -22.178 -4.599 1.00 0.00 N ATOM 0 H LYS A 68 2.201 -17.154 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 68 0.284 -19.031 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.022 -18.111 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.915 -19.346 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.971 -20.852 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.086 -19.585 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.716 -20.017 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.000 -19.718 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.406 -22.371 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.443 -22.022 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.109 -22.995 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.334 -21.380 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.419 -22.432 -5.577 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.671 -16.963 -8.952 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.408 -15.814 -9.449 1.00 0.00 C ATOM 1052 C GLY A 69 -2.382 -15.289 -8.392 1.00 0.00 C ATOM 1053 O GLY A 69 -2.265 -14.147 -7.948 1.00 0.00 O ATOM 0 H GLY A 69 -0.519 -17.701 -9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.711 -15.025 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.957 -16.091 -10.349 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.320 -16.146 -8.019 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.313 -15.783 -7.022 1.00 0.00 C ATOM 1059 C ASP A 70 -3.655 -14.919 -5.945 1.00 0.00 C ATOM 1060 O ASP A 70 -4.280 -14.003 -5.411 1.00 0.00 O ATOM 1061 CB ASP A 70 -4.893 -17.025 -6.344 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.358 -18.126 -7.299 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.516 -18.027 -7.759 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -4.545 -19.043 -7.547 1.00 0.00 O ATOM 0 H ASP A 70 -3.414 -17.092 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.114 -15.241 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.140 -17.440 -5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.737 -16.722 -5.725 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.402 -15.240 -5.657 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.653 -14.505 -4.652 1.00 0.00 C ATOM 1071 C ILE A 71 -0.876 -13.374 -5.329 1.00 0.00 C ATOM 1072 O ILE A 71 -1.073 -12.203 -5.010 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.773 -15.455 -3.838 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.624 -16.374 -2.960 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.263 -14.679 -3.022 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.769 -17.057 -1.890 1.00 0.00 C ATOM 0 H ILE A 71 -1.887 -15.999 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.330 -14.042 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.224 -16.092 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.416 -15.796 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.108 -17.129 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.875 -15.378 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.899 -14.104 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.247 -14.002 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.399 -17.705 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.007 -17.653 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.306 -16.300 -1.257 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.008 -13.764 -6.250 1.00 0.00 N ATOM 1089 CA GLN A 72 0.800 -12.798 -6.975 1.00 0.00 C ATOM 1090 C GLN A 72 -0.043 -11.580 -7.356 1.00 0.00 C ATOM 1091 O GLN A 72 0.400 -10.442 -7.209 1.00 0.00 O ATOM 1092 CB GLN A 72 1.437 -13.433 -8.212 1.00 0.00 C ATOM 1093 CG GLN A 72 2.945 -13.180 -8.244 1.00 0.00 C ATOM 1094 CD GLN A 72 3.318 -12.228 -9.383 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.478 -11.574 -9.979 1.00 0.00 O ATOM 1096 NE2 GLN A 72 4.620 -12.187 -9.650 1.00 0.00 N ATOM 0 H GLN A 72 0.154 -14.737 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 72 1.607 -12.467 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.245 -14.506 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.977 -13.025 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.267 -12.757 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.473 -14.125 -8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.269 -12.761 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.969 -11.582 -10.393 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.245 -11.860 -7.838 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.155 -10.802 -8.242 1.00 0.00 C ATOM 1107 C GLN A 73 -2.333 -9.793 -7.105 1.00 0.00 C ATOM 1108 O GLN A 73 -2.075 -8.603 -7.281 1.00 0.00 O ATOM 1109 CB GLN A 73 -3.504 -11.376 -8.681 1.00 0.00 C ATOM 1110 CG GLN A 73 -3.910 -10.833 -10.053 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.380 -11.961 -10.972 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -4.205 -13.137 -10.695 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -4.984 -11.541 -12.080 1.00 0.00 N ATOM 0 H GLN A 73 -1.610 -12.805 -7.958 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.722 -10.284 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.445 -12.464 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.268 -11.123 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.707 -10.099 -9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.065 -10.317 -10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.098 -10.542 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.333 -12.218 -12.759 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.773 -10.305 -5.965 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.988 -9.464 -4.800 1.00 0.00 C ATOM 1124 C ALA A 74 -1.854 -8.442 -4.698 1.00 0.00 C ATOM 1125 O ALA A 74 -2.083 -7.241 -4.833 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.098 -10.340 -3.551 1.00 0.00 C ATOM 0 H ALA A 74 -2.987 -11.292 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.923 -8.911 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.259 -9.709 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.936 -11.028 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.177 -10.908 -3.423 1.00 0.00 H new ATOM 1132 N ARG A 75 -0.657 -8.956 -4.461 1.00 0.00 N ATOM 1133 CA ARG A 75 0.513 -8.103 -4.339 1.00 0.00 C ATOM 1134 C ARG A 75 0.431 -6.943 -5.334 1.00 0.00 C ATOM 1135 O ARG A 75 0.240 -5.794 -4.939 1.00 0.00 O ATOM 1136 CB ARG A 75 1.799 -8.892 -4.593 1.00 0.00 C ATOM 1137 CG ARG A 75 2.728 -8.831 -3.379 1.00 0.00 C ATOM 1138 CD ARG A 75 3.063 -10.236 -2.873 1.00 0.00 C ATOM 1139 NE ARG A 75 2.109 -10.634 -1.815 1.00 0.00 N ATOM 1140 CZ ARG A 75 1.027 -11.397 -2.027 1.00 0.00 C ATOM 1141 NH1 ARG A 75 0.756 -11.847 -3.260 1.00 0.00 N ATOM 1142 NH2 ARG A 75 0.216 -11.708 -1.007 1.00 0.00 N ATOM 0 H ARG A 75 -0.472 -9.953 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 75 0.534 -7.713 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.555 -9.930 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.310 -8.489 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.646 -8.308 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.254 -8.257 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.022 -10.948 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.081 -10.258 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 75 2.285 -10.308 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.373 -11.609 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.067 -12.427 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.422 -11.364 -0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.607 -12.288 -1.169 1.00 0.00 H new ATOM 1156 N LYS A 76 0.578 -7.285 -6.606 1.00 0.00 N ATOM 1157 CA LYS A 76 0.522 -6.286 -7.660 1.00 0.00 C ATOM 1158 C LYS A 76 -0.577 -5.272 -7.338 1.00 0.00 C ATOM 1159 O LYS A 76 -0.308 -4.077 -7.217 1.00 0.00 O ATOM 1160 CB LYS A 76 0.358 -6.957 -9.025 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.300 -6.007 -10.028 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.055 -6.471 -11.465 1.00 0.00 C ATOM 1163 CE LYS A 76 0.464 -5.322 -12.331 1.00 0.00 C ATOM 1164 NZ LYS A 76 0.421 -5.692 -13.764 1.00 0.00 N ATOM 0 H LYS A 76 0.736 -8.239 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 76 1.460 -5.734 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.333 -7.269 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.247 -7.858 -8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.372 -5.956 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.096 -5.000 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.666 -7.289 -11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.981 -6.860 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.139 -4.430 -12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.486 -5.075 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.777 -4.901 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.015 -6.530 -13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.559 -5.905 -14.038 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.792 -5.784 -7.207 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.932 -4.937 -6.901 1.00 0.00 C ATOM 1180 C ARG A 77 -2.649 -4.095 -5.655 1.00 0.00 C ATOM 1181 O ARG A 77 -2.937 -2.900 -5.631 1.00 0.00 O ATOM 1182 CB ARG A 77 -4.192 -5.773 -6.668 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.631 -6.475 -7.955 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.754 -5.699 -8.646 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.572 -6.619 -9.469 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.354 -7.583 -8.965 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.429 -7.760 -7.639 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -8.061 -8.370 -9.787 1.00 0.00 N ATOM 0 H ARG A 77 -2.012 -6.775 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.097 -4.282 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.002 -6.514 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.996 -5.132 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.781 -6.570 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.970 -7.485 -7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.381 -5.209 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.332 -4.914 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.538 -6.512 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.891 -7.161 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.024 -8.494 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.004 -8.235 -10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.656 -9.104 -9.403 1.00 0.00 H new ATOM 1202 N ALA A 78 -2.089 -4.753 -4.650 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.764 -4.080 -3.404 1.00 0.00 C ATOM 1204 C ALA A 78 -0.748 -2.970 -3.679 1.00 0.00 C ATOM 1205 O ALA A 78 -0.931 -1.834 -3.244 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.249 -5.104 -2.390 1.00 0.00 C ATOM 0 H ALA A 78 -1.852 -5.745 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.652 -3.615 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.005 -4.599 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.019 -5.854 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.356 -5.589 -2.784 1.00 0.00 H new ATOM 1212 N ALA A 79 0.301 -3.337 -4.401 1.00 0.00 N ATOM 1213 CA ALA A 79 1.347 -2.386 -4.739 1.00 0.00 C ATOM 1214 C ALA A 79 0.734 -1.213 -5.507 1.00 0.00 C ATOM 1215 O ALA A 79 0.872 -0.061 -5.101 1.00 0.00 O ATOM 1216 CB ALA A 79 2.444 -3.095 -5.535 1.00 0.00 C ATOM 0 H ALA A 79 0.449 -4.280 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 79 1.808 -1.985 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.228 -2.382 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.866 -3.901 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.020 -3.508 -6.450 1.00 0.00 H new ATOM 1222 N GLN A 80 0.071 -1.548 -6.604 1.00 0.00 N ATOM 1223 CA GLN A 80 -0.563 -0.537 -7.433 1.00 0.00 C ATOM 1224 C GLN A 80 -1.456 0.366 -6.580 1.00 0.00 C ATOM 1225 O GLN A 80 -1.705 1.516 -6.938 1.00 0.00 O ATOM 1226 CB GLN A 80 -1.361 -1.181 -8.569 1.00 0.00 C ATOM 1227 CG GLN A 80 -0.442 -1.963 -9.510 1.00 0.00 C ATOM 1228 CD GLN A 80 -1.237 -2.591 -10.656 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -2.110 -3.421 -10.459 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.889 -2.150 -11.862 1.00 0.00 N ATOM 0 H GLN A 80 -0.041 -2.505 -6.938 1.00 0.00 H new ATOM 0 HA GLN A 80 0.217 0.077 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.116 -1.849 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.890 -0.410 -9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.322 -1.298 -9.914 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.077 -2.743 -8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.149 -1.454 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.362 -2.508 -12.692 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.913 -0.189 -5.467 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.772 0.552 -4.559 1.00 0.00 C ATOM 1241 C GLU A 81 -1.934 1.462 -3.659 1.00 0.00 C ATOM 1242 O GLU A 81 -2.193 2.661 -3.569 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.638 -0.396 -3.727 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.182 0.309 -2.482 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.662 -0.015 -2.272 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.930 -1.038 -1.605 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.492 0.768 -2.782 1.00 0.00 O ATOM 0 H GLU A 81 -1.705 -1.143 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.441 1.176 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.467 -0.763 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.051 -1.265 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.611 0.001 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.053 1.386 -2.584 1.00 0.00 H new ATOM 1254 N THR A 82 -0.947 0.857 -3.015 1.00 0.00 N ATOM 1255 CA THR A 82 -0.069 1.597 -2.124 1.00 0.00 C ATOM 1256 C THR A 82 0.754 2.617 -2.913 1.00 0.00 C ATOM 1257 O THR A 82 0.927 3.754 -2.475 1.00 0.00 O ATOM 1258 CB THR A 82 0.787 0.588 -1.357 1.00 0.00 C ATOM 1259 OG1 THR A 82 -0.103 0.043 -0.387 1.00 0.00 O ATOM 1260 CG2 THR A 82 1.880 1.261 -0.524 1.00 0.00 C ATOM 0 H THR A 82 -0.736 -0.138 -3.092 1.00 0.00 H new ATOM 0 HA THR A 82 -0.640 2.177 -1.399 1.00 0.00 H new ATOM 0 HB THR A 82 1.244 -0.109 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.432 -0.826 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.458 0.500 0.000 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.539 1.830 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.422 1.933 0.202 1.00 0.00 H new ATOM 1268 N GLU A 83 1.240 2.174 -4.064 1.00 0.00 N ATOM 1269 CA GLU A 83 2.041 3.034 -4.918 1.00 0.00 C ATOM 1270 C GLU A 83 1.175 4.145 -5.516 1.00 0.00 C ATOM 1271 O GLU A 83 1.693 5.152 -5.995 1.00 0.00 O ATOM 1272 CB GLU A 83 2.731 2.225 -6.018 1.00 0.00 C ATOM 1273 CG GLU A 83 3.666 1.172 -5.420 1.00 0.00 C ATOM 1274 CD GLU A 83 4.725 1.823 -4.527 1.00 0.00 C ATOM 1275 OE1 GLU A 83 4.407 2.045 -3.339 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.829 2.083 -5.053 1.00 0.00 O ATOM 0 H GLU A 83 1.094 1.231 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 83 2.819 3.495 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.981 1.738 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.298 2.894 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.087 0.454 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.153 0.616 -6.221 1.00 0.00 H new ATOM 1283 N ARG A 84 -0.131 3.924 -5.467 1.00 0.00 N ATOM 1284 CA ARG A 84 -1.074 4.893 -5.997 1.00 0.00 C ATOM 1285 C ARG A 84 -1.175 6.102 -5.064 1.00 0.00 C ATOM 1286 O ARG A 84 -1.093 7.244 -5.512 1.00 0.00 O ATOM 1287 CB ARG A 84 -2.463 4.273 -6.169 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.872 4.245 -7.643 1.00 0.00 C ATOM 1289 CD ARG A 84 -4.294 3.704 -7.807 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.589 3.482 -9.240 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.913 4.457 -10.100 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.987 5.727 -9.677 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -5.165 4.163 -11.383 1.00 0.00 N ATOM 0 H ARG A 84 -0.558 3.088 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.707 5.212 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.465 3.259 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.194 4.844 -5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.811 5.250 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.175 3.624 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.402 2.770 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.011 4.408 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.543 2.527 -9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.797 5.951 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.234 6.469 -10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.110 3.197 -11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.412 4.906 -12.037 1.00 0.00 H new ATOM 1307 N LEU A 85 -1.350 5.808 -3.784 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.462 6.856 -2.785 1.00 0.00 C ATOM 1309 C LEU A 85 -0.122 7.585 -2.663 1.00 0.00 C ATOM 1310 O LEU A 85 -0.070 8.811 -2.737 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.972 6.282 -1.461 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.492 6.176 -1.318 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.876 5.011 -0.403 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -4.092 7.500 -0.843 1.00 0.00 C ATOM 0 H LEU A 85 -1.417 4.859 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.201 7.596 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.544 5.288 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.593 6.902 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.914 5.966 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.961 4.958 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.499 4.079 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.442 5.166 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.173 7.397 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.668 7.765 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.863 8.283 -1.566 1.00 0.00 H new ATOM 1326 N LEU A 86 0.928 6.798 -2.479 1.00 0.00 N ATOM 1327 CA LEU A 86 2.264 7.353 -2.347 1.00 0.00 C ATOM 1328 C LEU A 86 2.435 8.504 -3.340 1.00 0.00 C ATOM 1329 O LEU A 86 3.058 9.516 -3.023 1.00 0.00 O ATOM 1330 CB LEU A 86 3.318 6.254 -2.493 1.00 0.00 C ATOM 1331 CG LEU A 86 4.303 6.110 -1.332 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.255 4.934 -1.562 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.058 7.419 -1.088 1.00 0.00 C ATOM 0 H LEU A 86 0.880 5.781 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 86 2.406 7.769 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.805 5.302 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.886 6.442 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 86 3.735 5.892 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.945 4.854 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.680 4.012 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.819 5.097 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.752 7.289 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.613 7.692 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.347 8.210 -0.847 1.00 0.00 H new ATOM 1345 N LYS A 87 1.869 8.311 -4.523 1.00 0.00 N ATOM 1346 CA LYS A 87 1.951 9.321 -5.565 1.00 0.00 C ATOM 1347 C LYS A 87 1.224 10.585 -5.102 1.00 0.00 C ATOM 1348 O LYS A 87 1.796 11.674 -5.117 1.00 0.00 O ATOM 1349 CB LYS A 87 1.432 8.764 -6.892 1.00 0.00 C ATOM 1350 CG LYS A 87 2.281 7.581 -7.360 1.00 0.00 C ATOM 1351 CD LYS A 87 3.398 8.045 -8.298 1.00 0.00 C ATOM 1352 CE LYS A 87 3.690 6.990 -9.367 1.00 0.00 C ATOM 1353 NZ LYS A 87 4.529 5.905 -8.809 1.00 0.00 N ATOM 0 H LYS A 87 1.352 7.471 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 87 2.989 9.599 -5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.395 8.449 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.445 9.548 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.713 7.075 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.649 6.855 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.111 8.982 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.302 8.244 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.754 6.577 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.198 7.452 -10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.718 5.197 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.429 6.301 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.030 5.453 -8.016 1.00 0.00 H new ATOM 1367 N GLU A 88 -0.025 10.398 -4.702 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.835 11.511 -4.235 1.00 0.00 C ATOM 1369 C GLU A 88 -0.152 12.208 -3.058 1.00 0.00 C ATOM 1370 O GLU A 88 -0.358 13.400 -2.833 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.241 11.043 -3.855 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.882 10.247 -4.994 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.988 11.057 -5.674 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.993 11.335 -4.984 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -3.803 11.380 -6.867 1.00 0.00 O ATOM 0 H GLU A 88 -0.496 9.493 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.934 12.230 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.192 10.426 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.863 11.906 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.121 9.977 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.295 9.316 -4.605 1.00 0.00 H new ATOM 1382 N LEU A 89 0.648 11.436 -2.337 1.00 0.00 N ATOM 1383 CA LEU A 89 1.363 11.965 -1.188 1.00 0.00 C ATOM 1384 C LEU A 89 2.206 13.165 -1.625 1.00 0.00 C ATOM 1385 O LEU A 89 2.129 14.234 -1.023 1.00 0.00 O ATOM 1386 CB LEU A 89 2.173 10.861 -0.506 1.00 0.00 C ATOM 1387 CG LEU A 89 2.594 11.133 0.940 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.464 11.803 1.723 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.081 9.852 1.620 1.00 0.00 C ATOM 0 H LEU A 89 0.817 10.448 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 89 0.661 12.325 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.587 9.942 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.071 10.679 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 89 3.433 11.829 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.789 11.985 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.206 12.751 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.590 11.151 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.374 10.074 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.279 9.114 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.938 9.454 1.076 1.00 0.00 H new ATOM 1401 N GLU A 90 2.991 12.946 -2.670 1.00 0.00 N ATOM 1402 CA GLU A 90 3.848 13.996 -3.195 1.00 0.00 C ATOM 1403 C GLU A 90 3.010 15.211 -3.601 1.00 0.00 C ATOM 1404 O GLU A 90 3.253 16.322 -3.132 1.00 0.00 O ATOM 1405 CB GLU A 90 4.681 13.487 -4.372 1.00 0.00 C ATOM 1406 CG GLU A 90 5.927 12.746 -3.882 1.00 0.00 C ATOM 1407 CD GLU A 90 7.154 13.124 -4.714 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.664 14.244 -4.495 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.553 12.286 -5.551 1.00 0.00 O ATOM 0 H GLU A 90 3.052 12.057 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 90 4.539 14.301 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.077 12.822 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.977 14.326 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.107 12.984 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.761 11.670 -3.941 1.00 0.00 H new ATOM 1416 N GLN A 91 2.042 14.958 -4.470 1.00 0.00 N ATOM 1417 CA GLN A 91 1.167 16.017 -4.944 1.00 0.00 C ATOM 1418 C GLN A 91 0.499 16.723 -3.763 1.00 0.00 C ATOM 1419 O GLN A 91 0.760 17.898 -3.510 1.00 0.00 O ATOM 1420 CB GLN A 91 0.122 15.469 -5.918 1.00 0.00 C ATOM 1421 CG GLN A 91 0.543 15.713 -7.369 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.653 16.142 -8.222 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.750 17.269 -8.677 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -1.554 15.183 -8.411 1.00 0.00 N ATOM 0 H GLN A 91 1.845 14.036 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 91 1.771 16.747 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.012 14.401 -5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.840 15.945 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.314 16.483 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.982 14.805 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.410 14.260 -8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.389 15.370 -8.966 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.350 15.977 -3.072 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.057 16.517 -1.923 1.00 0.00 C ATOM 1435 C ASN A 92 -0.106 17.399 -1.112 1.00 0.00 C ATOM 1436 O ASN A 92 -0.481 18.487 -0.677 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.559 15.398 -1.009 1.00 0.00 C ATOM 1438 CG ASN A 92 -2.950 14.924 -1.434 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.932 15.643 -1.348 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -2.979 13.677 -1.896 1.00 0.00 N ATOM 0 H ASN A 92 -0.564 15.003 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.908 17.091 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.862 14.561 -1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.591 15.752 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.861 13.268 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.119 13.130 -1.941 1.00 0.00 H new ATOM 1447 N ALA A 93 1.108 16.898 -0.934 1.00 0.00 N ATOM 1448 CA ALA A 93 2.115 17.627 -0.183 1.00 0.00 C ATOM 1449 C ALA A 93 2.051 19.109 -0.557 1.00 0.00 C ATOM 1450 O ALA A 93 1.527 19.923 0.202 1.00 0.00 O ATOM 1451 CB ALA A 93 3.493 17.017 -0.451 1.00 0.00 C ATOM 0 H ALA A 93 1.416 15.996 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 93 1.926 17.549 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.249 17.564 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.495 15.972 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.718 17.080 -1.516 1.00 0.00 H new ATOM 1457 N SER A 94 2.592 19.415 -1.727 1.00 0.00 N ATOM 1458 CA SER A 94 2.602 20.785 -2.212 1.00 0.00 C ATOM 1459 C SER A 94 3.176 20.835 -3.629 1.00 0.00 C ATOM 1460 O SER A 94 2.562 21.404 -4.531 1.00 0.00 O ATOM 1461 CB SER A 94 3.409 21.692 -1.281 1.00 0.00 C ATOM 1462 OG SER A 94 2.928 23.033 -1.293 1.00 0.00 O ATOM 0 H SER A 94 3.027 18.738 -2.354 1.00 0.00 H new ATOM 0 HA SER A 94 1.575 21.149 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.364 21.300 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.457 21.680 -1.582 1.00 0.00 H new ATOM 0 HG SER A 94 3.468 23.580 -0.685 1.00 0.00 H new