USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 83 MET CE :methyl -172:sc= -2.9 (180deg=-2.04) USER MOD Set 1.2: A 111 SER OG : rot 25:sc= 0.731 USER MOD Set 2.1: A 64 ASN : amide:sc= -4.11! K(o=-5.7!,f=-6.7) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0.062 USER MOD Set 2.3: A 71 HIS : no HD1:sc= -1.67 X(o=-5.7,f=-6.2) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -163:sc= 0.598 (180deg=0) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.0302 K(o=0.57,f=-14!) USER MOD Single : A 17 GLN : amide:sc= 0.277 X(o=0.28,f=-0.21) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.0825 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.19 F(o=-2.5!,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -83:sc= 0.408 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.236 USER MOD Single : A 50 THR OG1 : rot 41:sc= 0.565 USER MOD Single : A 52 MET CE :methyl 166:sc= -0.0552 (180deg=-0.183) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.042 F(o=-1.3,f=-0.042) USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= -0.124 (180deg=-0.729) USER MOD Single : A 56 GLN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 59 SER OG : rot -76:sc= -0.0223 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.33! C(o=-2.3!,f=-5!) USER MOD Single : A 69 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.4) USER MOD Single : A 75 ASN : amide:sc= 0.972 K(o=0.97,f=-7.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 0:sc= 0 USER MOD Single : A 88 MET CE :methyl -111:sc= -2.83! (180deg=-3.7!) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -4:sc= 0.23 USER MOD Single : A 104 ASN : amide:sc= -2.03! C(o=-2!,f=-3!) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.59 (180deg=-3.55!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.146 K(o=0.15,f=-1) USER MOD Single : A 109 GLN : amide:sc= -8.75! C(o=-8.8!,f=-20!) USER MOD Single : A 118 LYS NZ :NH3+ -147:sc= 0.387 (180deg=0.0566) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.626 -11.905 9.829 1.00 0.00 N ATOM 197 CA ASP A 15 6.776 -12.698 9.406 1.00 0.00 C ATOM 198 C ASP A 15 8.018 -11.823 9.272 1.00 0.00 C ATOM 199 O ASP A 15 8.082 -10.913 8.446 1.00 0.00 O ATOM 200 CB ASP A 15 6.482 -13.393 8.076 1.00 0.00 C ATOM 201 CG ASP A 15 7.209 -14.716 7.940 1.00 0.00 C ATOM 202 OD1 ASP A 15 8.109 -14.986 8.764 1.00 0.00 O ATOM 203 OD2 ASP A 15 6.880 -15.482 7.011 1.00 0.00 O ATOM 0 HA ASP A 15 6.965 -13.454 10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.409 -13.561 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.771 -12.737 7.255 1.00 0.00 H new ATOM 208 N PRO A 16 9.031 -12.102 10.107 1.00 0.00 N ATOM 209 CA PRO A 16 10.290 -11.353 10.102 1.00 0.00 C ATOM 210 C PRO A 16 11.119 -11.619 8.850 1.00 0.00 C ATOM 211 O PRO A 16 12.135 -10.964 8.617 1.00 0.00 O ATOM 212 CB PRO A 16 11.018 -11.872 11.345 1.00 0.00 C ATOM 213 CG PRO A 16 10.457 -13.235 11.569 1.00 0.00 C ATOM 214 CD PRO A 16 9.025 -13.173 11.118 1.00 0.00 C ATOM 0 HA PRO A 16 10.122 -10.276 10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.096 -11.908 11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.844 -11.226 12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.012 -13.983 11.003 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.523 -13.516 12.620 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.695 -14.122 10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.353 -12.941 11.945 1.00 0.00 H new ATOM 222 N GLN A 17 10.678 -12.583 8.048 1.00 0.00 N ATOM 223 CA GLN A 17 11.380 -12.934 6.819 1.00 0.00 C ATOM 224 C GLN A 17 10.728 -12.272 5.611 1.00 0.00 C ATOM 225 O GLN A 17 11.411 -11.827 4.688 1.00 0.00 O ATOM 226 CB GLN A 17 11.400 -14.453 6.635 1.00 0.00 C ATOM 227 CG GLN A 17 10.073 -15.026 6.163 1.00 0.00 C ATOM 228 CD GLN A 17 10.159 -16.502 5.833 1.00 0.00 C ATOM 229 OE1 GLN A 17 11.072 -16.942 5.134 1.00 0.00 O ATOM 230 NE2 GLN A 17 9.206 -17.278 6.337 1.00 0.00 N ATOM 0 H GLN A 17 9.839 -13.134 8.227 1.00 0.00 H new ATOM 0 HA GLN A 17 12.405 -12.571 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.175 -14.713 5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.673 -14.922 7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.320 -14.874 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.739 -14.479 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.468 -16.871 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.212 -18.281 6.150 1.00 0.00 H new ATOM 239 N LYS A 18 9.401 -12.210 5.621 1.00 0.00 N ATOM 240 CA LYS A 18 8.654 -11.600 4.527 1.00 0.00 C ATOM 241 C LYS A 18 8.861 -10.089 4.502 1.00 0.00 C ATOM 242 O LYS A 18 9.109 -9.506 3.447 1.00 0.00 O ATOM 243 CB LYS A 18 7.164 -11.920 4.659 1.00 0.00 C ATOM 244 CG LYS A 18 6.841 -13.395 4.500 1.00 0.00 C ATOM 245 CD LYS A 18 6.567 -13.754 3.050 1.00 0.00 C ATOM 246 CE LYS A 18 5.606 -14.928 2.939 1.00 0.00 C ATOM 247 NZ LYS A 18 5.688 -15.587 1.605 1.00 0.00 N ATOM 0 H LYS A 18 8.820 -12.575 6.376 1.00 0.00 H new ATOM 0 HA LYS A 18 9.027 -12.015 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.814 -11.583 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.612 -11.353 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.673 -13.992 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.972 -13.645 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.149 -12.890 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.504 -14.001 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.830 -15.656 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.587 -14.581 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.018 -16.382 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.449 -14.899 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.654 -15.941 1.451 1.00 0.00 H new ATOM 261 N GLU A 19 8.759 -9.463 5.669 1.00 0.00 N ATOM 262 CA GLU A 19 8.936 -8.019 5.779 1.00 0.00 C ATOM 263 C GLU A 19 10.074 -7.541 4.882 1.00 0.00 C ATOM 264 O GLU A 19 9.917 -6.588 4.118 1.00 0.00 O ATOM 265 CB GLU A 19 9.216 -7.627 7.232 1.00 0.00 C ATOM 266 CG GLU A 19 9.561 -6.158 7.409 1.00 0.00 C ATOM 267 CD GLU A 19 10.492 -5.916 8.582 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.669 -6.325 8.499 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.043 -5.316 9.582 1.00 0.00 O ATOM 0 H GLU A 19 8.555 -9.932 6.552 1.00 0.00 H new ATOM 0 HA GLU A 19 8.014 -7.539 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.341 -7.862 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.039 -8.233 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.027 -5.785 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.643 -5.588 7.554 1.00 0.00 H new ATOM 276 N ALA A 20 11.219 -8.207 4.982 1.00 0.00 N ATOM 277 CA ALA A 20 12.383 -7.852 4.180 1.00 0.00 C ATOM 278 C ALA A 20 12.050 -7.873 2.692 1.00 0.00 C ATOM 279 O ALA A 20 12.488 -7.005 1.937 1.00 0.00 O ATOM 280 CB ALA A 20 13.537 -8.796 4.478 1.00 0.00 C ATOM 0 H ALA A 20 11.366 -8.996 5.611 1.00 0.00 H new ATOM 0 HA ALA A 20 12.681 -6.838 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.400 -8.519 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.799 -8.729 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.241 -9.818 4.242 1.00 0.00 H new ATOM 286 N GLU A 21 11.274 -8.868 2.277 1.00 0.00 N ATOM 287 CA GLU A 21 10.885 -9.001 0.878 1.00 0.00 C ATOM 288 C GLU A 21 10.178 -7.740 0.388 1.00 0.00 C ATOM 289 O GLU A 21 10.360 -7.317 -0.754 1.00 0.00 O ATOM 290 CB GLU A 21 9.973 -10.216 0.692 1.00 0.00 C ATOM 291 CG GLU A 21 10.604 -11.524 1.136 1.00 0.00 C ATOM 292 CD GLU A 21 9.942 -12.734 0.507 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.599 -12.668 -0.693 1.00 0.00 O ATOM 294 OE2 GLU A 21 9.767 -13.749 1.215 1.00 0.00 O ATOM 0 H GLU A 21 10.902 -9.594 2.889 1.00 0.00 H new ATOM 0 HA GLU A 21 11.790 -9.142 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.052 -10.058 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.696 -10.294 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.663 -11.518 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.541 -11.603 2.221 1.00 0.00 H new ATOM 301 N LEU A 22 9.369 -7.147 1.259 1.00 0.00 N ATOM 302 CA LEU A 22 8.633 -5.935 0.916 1.00 0.00 C ATOM 303 C LEU A 22 9.586 -4.764 0.693 1.00 0.00 C ATOM 304 O LEU A 22 9.722 -4.267 -0.426 1.00 0.00 O ATOM 305 CB LEU A 22 7.636 -5.590 2.023 1.00 0.00 C ATOM 306 CG LEU A 22 6.525 -6.613 2.268 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.759 -6.275 3.538 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.583 -6.674 1.074 1.00 0.00 C ATOM 0 H LEU A 22 9.206 -7.485 2.207 1.00 0.00 H new ATOM 0 HA LEU A 22 8.089 -6.120 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.189 -5.454 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.174 -4.632 1.783 1.00 0.00 H new ATOM 0 HG LEU A 22 6.982 -7.594 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.973 -7.013 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.441 -6.284 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.313 -5.285 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.799 -7.407 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.133 -5.694 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.142 -6.965 0.184 1.00 0.00 H new ATOM 320 N ARG A 23 10.243 -4.329 1.762 1.00 0.00 N ATOM 321 CA ARG A 23 11.183 -3.218 1.682 1.00 0.00 C ATOM 322 C ARG A 23 12.132 -3.394 0.499 1.00 0.00 C ATOM 323 O ARG A 23 12.488 -2.425 -0.174 1.00 0.00 O ATOM 324 CB ARG A 23 11.986 -3.107 2.980 1.00 0.00 C ATOM 325 CG ARG A 23 12.746 -4.375 3.337 1.00 0.00 C ATOM 326 CD ARG A 23 13.905 -4.082 4.278 1.00 0.00 C ATOM 327 NE ARG A 23 15.137 -3.788 3.553 1.00 0.00 N ATOM 328 CZ ARG A 23 16.163 -3.134 4.085 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.106 -2.710 5.340 1.00 0.00 N ATOM 330 NH2 ARG A 23 17.252 -2.903 3.362 1.00 0.00 N ATOM 0 H ARG A 23 10.142 -4.729 2.695 1.00 0.00 H new ATOM 0 HA ARG A 23 10.612 -2.301 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.693 -2.283 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.308 -2.858 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.067 -5.088 3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.123 -4.843 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.649 -3.236 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.065 -4.938 4.933 1.00 0.00 H new ATOM 0 HE ARG A 23 15.214 -4.102 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.272 -2.886 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.896 -2.208 5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.302 -3.228 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.039 -2.401 3.772 1.00 0.00 H new ATOM 344 N THR A 24 12.539 -4.634 0.251 1.00 0.00 N ATOM 345 CA THR A 24 13.446 -4.936 -0.848 1.00 0.00 C ATOM 346 C THR A 24 12.757 -4.753 -2.196 1.00 0.00 C ATOM 347 O THR A 24 13.394 -4.395 -3.186 1.00 0.00 O ATOM 348 CB THR A 24 13.988 -6.375 -0.752 1.00 0.00 C ATOM 349 OG1 THR A 24 14.600 -6.583 0.525 1.00 0.00 O ATOM 350 CG2 THR A 24 14.998 -6.648 -1.856 1.00 0.00 C ATOM 0 H THR A 24 12.254 -5.447 0.798 1.00 0.00 H new ATOM 0 HA THR A 24 14.279 -4.237 -0.771 1.00 0.00 H new ATOM 0 HB THR A 24 13.151 -7.064 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.920 -6.522 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.366 -7.670 -1.767 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.520 -6.517 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.832 -5.952 -1.766 1.00 0.00 H new ATOM 358 N TRP A 25 11.453 -5.001 -2.226 1.00 0.00 N ATOM 359 CA TRP A 25 10.676 -4.864 -3.454 1.00 0.00 C ATOM 360 C TRP A 25 10.264 -3.413 -3.676 1.00 0.00 C ATOM 361 O TRP A 25 10.125 -2.965 -4.815 1.00 0.00 O ATOM 362 CB TRP A 25 9.436 -5.757 -3.401 1.00 0.00 C ATOM 363 CG TRP A 25 8.326 -5.286 -4.290 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.314 -5.283 -5.654 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.067 -4.746 -3.874 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.123 -4.774 -6.114 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.340 -4.438 -5.041 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.481 -4.493 -2.630 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.061 -3.891 -4.998 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.211 -3.951 -2.589 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.512 -3.654 -3.766 1.00 0.00 C ATOM 0 H TRP A 25 10.911 -5.298 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 25 11.303 -5.177 -4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.715 -6.771 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.074 -5.803 -2.374 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.122 -5.630 -6.281 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.864 -4.664 -7.094 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.012 -4.717 -1.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.520 -3.661 -5.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.749 -3.753 -1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.521 -3.230 -3.701 1.00 0.00 H new ATOM 382 N ILE A 26 10.068 -2.683 -2.583 1.00 0.00 N ATOM 383 CA ILE A 26 9.672 -1.283 -2.661 1.00 0.00 C ATOM 384 C ILE A 26 10.883 -0.380 -2.882 1.00 0.00 C ATOM 385 O ILE A 26 10.913 0.414 -3.820 1.00 0.00 O ATOM 386 CB ILE A 26 8.938 -0.833 -1.385 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.769 -1.774 -1.085 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.447 0.599 -1.532 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.169 -1.574 0.289 1.00 0.00 C ATOM 0 H ILE A 26 10.177 -3.038 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 26 8.995 -1.194 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 26 9.637 -0.872 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.993 -1.627 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.110 -2.805 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.930 0.902 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.297 1.259 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.761 0.664 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.346 -2.274 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.931 -1.750 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.797 -0.554 0.378 1.00 0.00 H new ATOM 401 N GLU A 27 11.879 -0.513 -2.011 1.00 0.00 N ATOM 402 CA GLU A 27 13.091 0.291 -2.112 1.00 0.00 C ATOM 403 C GLU A 27 13.553 0.399 -3.562 1.00 0.00 C ATOM 404 O GLU A 27 14.066 1.434 -3.986 1.00 0.00 O ATOM 405 CB GLU A 27 14.204 -0.316 -1.255 1.00 0.00 C ATOM 406 CG GLU A 27 13.970 -0.170 0.240 1.00 0.00 C ATOM 407 CD GLU A 27 14.407 1.182 0.769 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.601 1.332 1.103 1.00 0.00 O ATOM 409 OE2 GLU A 27 13.555 2.091 0.848 1.00 0.00 O ATOM 0 H GLU A 27 11.870 -1.168 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 27 12.864 1.292 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.301 -1.374 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.150 0.159 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.911 -0.315 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.512 -0.955 0.767 1.00 0.00 H new ATOM 416 N GLY A 28 13.366 -0.678 -4.318 1.00 0.00 N ATOM 417 CA GLY A 28 13.769 -0.684 -5.713 1.00 0.00 C ATOM 418 C GLY A 28 12.735 -0.047 -6.618 1.00 0.00 C ATOM 419 O GLY A 28 13.078 0.613 -7.600 1.00 0.00 O ATOM 0 H GLY A 28 12.943 -1.546 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.715 -0.152 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.944 -1.711 -6.033 1.00 0.00 H new ATOM 423 N LEU A 29 11.461 -0.245 -6.290 1.00 0.00 N ATOM 424 CA LEU A 29 10.372 0.315 -7.082 1.00 0.00 C ATOM 425 C LEU A 29 10.429 1.839 -7.089 1.00 0.00 C ATOM 426 O LEU A 29 10.567 2.462 -8.142 1.00 0.00 O ATOM 427 CB LEU A 29 9.023 -0.154 -6.535 1.00 0.00 C ATOM 428 CG LEU A 29 8.468 -1.447 -7.133 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.477 -2.095 -6.178 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.812 -1.173 -8.479 1.00 0.00 C ATOM 0 H LEU A 29 11.158 -0.789 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 29 10.484 -0.038 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.117 -0.287 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.293 0.639 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 29 9.297 -2.138 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.093 -3.014 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.977 -2.327 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.651 -1.409 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.423 -2.104 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.994 -0.464 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.549 -0.754 -9.164 1.00 0.00 H new ATOM 442 N THR A 30 10.327 2.434 -5.905 1.00 0.00 N ATOM 443 CA THR A 30 10.368 3.885 -5.772 1.00 0.00 C ATOM 444 C THR A 30 11.803 4.399 -5.797 1.00 0.00 C ATOM 445 O THR A 30 12.062 5.524 -6.222 1.00 0.00 O ATOM 446 CB THR A 30 9.691 4.350 -4.470 1.00 0.00 C ATOM 447 OG1 THR A 30 10.505 4.005 -3.344 1.00 0.00 O ATOM 448 CG2 THR A 30 8.314 3.718 -4.321 1.00 0.00 C ATOM 0 H THR A 30 10.215 1.933 -5.024 1.00 0.00 H new ATOM 0 HA THR A 30 9.823 4.295 -6.622 1.00 0.00 H new ATOM 0 HB THR A 30 9.574 5.433 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.069 3.293 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.855 4.061 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.688 4.007 -5.165 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.412 2.633 -4.297 1.00 0.00 H new ATOM 456 N GLY A 31 12.733 3.565 -5.340 1.00 0.00 N ATOM 457 CA GLY A 31 14.131 3.954 -5.320 1.00 0.00 C ATOM 458 C GLY A 31 14.478 4.805 -4.114 1.00 0.00 C ATOM 459 O GLY A 31 15.529 5.448 -4.080 1.00 0.00 O ATOM 0 H GLY A 31 12.543 2.628 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.754 3.060 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.364 4.506 -6.230 1.00 0.00 H new ATOM 463 N LEU A 32 13.594 4.814 -3.124 1.00 0.00 N ATOM 464 CA LEU A 32 13.811 5.595 -1.911 1.00 0.00 C ATOM 465 C LEU A 32 14.336 4.714 -0.782 1.00 0.00 C ATOM 466 O LEU A 32 14.568 3.520 -0.970 1.00 0.00 O ATOM 467 CB LEU A 32 12.511 6.276 -1.479 1.00 0.00 C ATOM 468 CG LEU A 32 11.886 7.234 -2.493 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.428 7.499 -2.148 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.668 8.538 -2.548 1.00 0.00 C ATOM 0 H LEU A 32 12.719 4.289 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 32 14.558 6.358 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.781 5.502 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.702 6.827 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 32 11.927 6.768 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.999 8.183 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.875 6.560 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.364 7.944 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.208 9.207 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.660 9.009 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.697 8.333 -2.843 1.00 0.00 H new ATOM 482 N SER A 33 14.519 5.311 0.392 1.00 0.00 N ATOM 483 CA SER A 33 15.018 4.580 1.551 1.00 0.00 C ATOM 484 C SER A 33 14.017 4.635 2.700 1.00 0.00 C ATOM 485 O SER A 33 13.453 5.689 2.998 1.00 0.00 O ATOM 486 CB SER A 33 16.362 5.156 2.003 1.00 0.00 C ATOM 487 OG SER A 33 16.224 6.502 2.424 1.00 0.00 O ATOM 0 H SER A 33 14.329 6.298 0.565 1.00 0.00 H new ATOM 0 HA SER A 33 15.155 3.538 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.762 4.555 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.079 5.099 1.184 1.00 0.00 H new ATOM 0 HG SER A 33 17.096 6.847 2.709 1.00 0.00 H new ATOM 493 N ILE A 34 13.799 3.492 3.341 1.00 0.00 N ATOM 494 CA ILE A 34 12.866 3.408 4.458 1.00 0.00 C ATOM 495 C ILE A 34 13.495 3.942 5.740 1.00 0.00 C ATOM 496 O ILE A 34 12.843 4.632 6.524 1.00 0.00 O ATOM 497 CB ILE A 34 12.398 1.960 4.694 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.670 1.429 3.457 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.496 1.887 5.917 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.753 -0.075 3.307 1.00 0.00 C ATOM 0 H ILE A 34 14.256 2.611 3.106 1.00 0.00 H new ATOM 0 HA ILE A 34 12.004 4.021 4.196 1.00 0.00 H new ATOM 0 HB ILE A 34 13.273 1.336 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.622 1.724 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.091 1.899 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.174 0.857 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.044 2.230 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.623 2.521 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.215 -0.381 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.798 -0.375 3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.306 -0.553 4.179 1.00 0.00 H new ATOM 512 N GLY A 35 14.768 3.620 5.948 1.00 0.00 N ATOM 513 CA GLY A 35 15.465 4.076 7.136 1.00 0.00 C ATOM 514 C GLY A 35 15.807 2.942 8.080 1.00 0.00 C ATOM 515 O GLY A 35 15.631 1.766 7.760 1.00 0.00 O ATOM 0 H GLY A 35 15.329 3.051 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.381 4.588 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.846 4.805 7.659 1.00 0.00 H new ATOM 519 N PRO A 36 16.307 3.291 9.275 1.00 0.00 N ATOM 520 CA PRO A 36 16.686 2.306 10.293 1.00 0.00 C ATOM 521 C PRO A 36 15.475 1.603 10.897 1.00 0.00 C ATOM 522 O PRO A 36 15.617 0.727 11.751 1.00 0.00 O ATOM 523 CB PRO A 36 17.399 3.149 11.353 1.00 0.00 C ATOM 524 CG PRO A 36 16.836 4.518 11.190 1.00 0.00 C ATOM 525 CD PRO A 36 16.543 4.673 9.724 1.00 0.00 C ATOM 0 HA PRO A 36 17.301 1.507 9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.216 2.762 12.355 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.479 3.144 11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.930 4.641 11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.544 5.274 11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.672 5.305 9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.378 5.131 9.194 1.00 0.00 H new ATOM 533 N ASP A 37 14.287 1.991 10.448 1.00 0.00 N ATOM 534 CA ASP A 37 13.051 1.395 10.944 1.00 0.00 C ATOM 535 C ASP A 37 12.005 1.313 9.836 1.00 0.00 C ATOM 536 O ASP A 37 12.034 2.090 8.882 1.00 0.00 O ATOM 537 CB ASP A 37 12.505 2.207 12.119 1.00 0.00 C ATOM 538 CG ASP A 37 11.731 1.352 13.103 1.00 0.00 C ATOM 539 OD1 ASP A 37 12.313 0.382 13.634 1.00 0.00 O ATOM 540 OD2 ASP A 37 10.543 1.652 13.344 1.00 0.00 O ATOM 0 H ASP A 37 14.153 2.715 9.742 1.00 0.00 H new ATOM 0 HA ASP A 37 13.274 0.384 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.332 2.693 12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.857 2.998 11.741 1.00 0.00 H new ATOM 545 N PHE A 38 11.082 0.365 9.970 1.00 0.00 N ATOM 546 CA PHE A 38 10.028 0.180 8.979 1.00 0.00 C ATOM 547 C PHE A 38 8.786 0.985 9.350 1.00 0.00 C ATOM 548 O PHE A 38 8.344 1.847 8.590 1.00 0.00 O ATOM 549 CB PHE A 38 9.671 -1.302 8.855 1.00 0.00 C ATOM 550 CG PHE A 38 8.892 -1.629 7.613 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.449 -1.435 6.359 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.604 -2.131 7.700 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.734 -1.734 5.216 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.884 -2.434 6.559 1.00 0.00 C ATOM 555 CZ PHE A 38 7.451 -2.235 5.315 1.00 0.00 C ATOM 0 H PHE A 38 11.043 -0.286 10.754 1.00 0.00 H new ATOM 0 HA PHE A 38 10.399 0.539 8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.588 -1.891 8.864 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.091 -1.602 9.728 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.453 -1.046 6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.157 -2.288 8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.178 -1.576 4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.881 -2.825 6.640 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.892 -2.471 4.422 1.00 0.00 H new ATOM 565 N GLN A 39 8.230 0.697 10.522 1.00 0.00 N ATOM 566 CA GLN A 39 7.038 1.393 10.993 1.00 0.00 C ATOM 567 C GLN A 39 7.200 2.904 10.856 1.00 0.00 C ATOM 568 O GLN A 39 6.282 3.600 10.421 1.00 0.00 O ATOM 569 CB GLN A 39 6.752 1.030 12.450 1.00 0.00 C ATOM 570 CG GLN A 39 5.419 1.556 12.959 1.00 0.00 C ATOM 571 CD GLN A 39 5.532 2.940 13.565 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.908 3.921 12.922 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.171 3.127 14.601 1.00 0.00 N flip ATOM 0 H GLN A 39 8.585 -0.013 11.163 1.00 0.00 H new ATOM 0 HA GLN A 39 6.197 1.078 10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.769 -0.055 12.555 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.552 1.424 13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.704 1.581 12.136 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.022 0.868 13.705 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.635 2.344 15.062 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.236 4.064 14.998 1.00 0.00 H new ATOM 582 N LYS A 40 8.373 3.404 11.228 1.00 0.00 N ATOM 583 CA LYS A 40 8.656 4.833 11.146 1.00 0.00 C ATOM 584 C LYS A 40 8.776 5.281 9.693 1.00 0.00 C ATOM 585 O LYS A 40 7.930 6.019 9.189 1.00 0.00 O ATOM 586 CB LYS A 40 9.947 5.161 11.900 1.00 0.00 C ATOM 587 CG LYS A 40 9.906 4.780 13.369 1.00 0.00 C ATOM 588 CD LYS A 40 11.293 4.811 13.991 1.00 0.00 C ATOM 589 CE LYS A 40 11.221 4.822 15.511 1.00 0.00 C ATOM 590 NZ LYS A 40 12.576 4.812 16.129 1.00 0.00 N ATOM 0 H LYS A 40 9.143 2.842 11.589 1.00 0.00 H new ATOM 0 HA LYS A 40 7.826 5.370 11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.779 4.643 11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.146 6.229 11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.250 5.465 13.906 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.480 3.782 13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.862 3.943 13.659 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.829 5.695 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.677 5.706 15.843 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.658 3.954 15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.485 4.820 17.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.086 3.956 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.104 5.653 15.821 1.00 0.00 H new ATOM 604 N GLY A 41 9.830 4.827 9.023 1.00 0.00 N ATOM 605 CA GLY A 41 10.040 5.192 7.634 1.00 0.00 C ATOM 606 C GLY A 41 8.746 5.242 6.847 1.00 0.00 C ATOM 607 O GLY A 41 8.592 6.063 5.941 1.00 0.00 O ATOM 0 H GLY A 41 10.543 4.213 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.528 6.165 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.716 4.473 7.171 1.00 0.00 H new ATOM 611 N LEU A 42 7.812 4.361 7.189 1.00 0.00 N ATOM 612 CA LEU A 42 6.524 4.308 6.507 1.00 0.00 C ATOM 613 C LEU A 42 5.474 5.118 7.260 1.00 0.00 C ATOM 614 O LEU A 42 4.531 5.639 6.664 1.00 0.00 O ATOM 615 CB LEU A 42 6.060 2.857 6.365 1.00 0.00 C ATOM 616 CG LEU A 42 7.083 1.877 5.790 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.531 0.460 5.802 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.476 2.286 4.378 1.00 0.00 C ATOM 0 H LEU A 42 7.923 3.674 7.935 1.00 0.00 H new ATOM 0 HA LEU A 42 6.648 4.743 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.754 2.497 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.174 2.841 5.730 1.00 0.00 H new ATOM 0 HG LEU A 42 7.974 1.902 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.273 -0.223 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.300 0.168 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.624 0.418 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.205 1.578 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.592 2.289 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.913 3.284 4.397 1.00 0.00 H new ATOM 630 N LYS A 43 5.645 5.222 8.573 1.00 0.00 N ATOM 631 CA LYS A 43 4.716 5.973 9.409 1.00 0.00 C ATOM 632 C LYS A 43 4.237 7.232 8.694 1.00 0.00 C ATOM 633 O LYS A 43 3.065 7.344 8.331 1.00 0.00 O ATOM 634 CB LYS A 43 5.379 6.348 10.736 1.00 0.00 C ATOM 635 CG LYS A 43 4.575 7.339 11.559 1.00 0.00 C ATOM 636 CD LYS A 43 5.347 7.804 12.783 1.00 0.00 C ATOM 637 CE LYS A 43 4.855 9.157 13.273 1.00 0.00 C ATOM 638 NZ LYS A 43 5.451 10.278 12.497 1.00 0.00 N ATOM 0 H LYS A 43 6.419 4.795 9.082 1.00 0.00 H new ATOM 0 HA LYS A 43 3.852 5.339 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.535 5.443 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.363 6.770 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.316 8.200 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.638 6.878 11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.244 7.068 13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.408 7.867 12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.769 9.198 13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.103 9.273 14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.331 11.167 13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.464 10.098 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.975 10.354 11.576 1.00 0.00 H new ATOM 652 N ASP A 44 5.148 8.177 8.495 1.00 0.00 N ATOM 653 CA ASP A 44 4.819 9.428 7.821 1.00 0.00 C ATOM 654 C ASP A 44 4.067 9.163 6.521 1.00 0.00 C ATOM 655 O ASP A 44 3.174 9.920 6.142 1.00 0.00 O ATOM 656 CB ASP A 44 6.092 10.229 7.535 1.00 0.00 C ATOM 657 CG ASP A 44 7.252 9.344 7.124 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.156 8.694 6.061 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.256 9.301 7.863 1.00 0.00 O ATOM 0 H ASP A 44 6.121 8.101 8.791 1.00 0.00 H new ATOM 0 HA ASP A 44 4.174 10.009 8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.893 10.952 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.368 10.796 8.424 1.00 0.00 H new ATOM 664 N GLY A 45 4.436 8.083 5.839 1.00 0.00 N ATOM 665 CA GLY A 45 3.786 7.738 4.587 1.00 0.00 C ATOM 666 C GLY A 45 4.413 8.436 3.397 1.00 0.00 C ATOM 667 O GLY A 45 3.710 8.905 2.502 1.00 0.00 O ATOM 0 H GLY A 45 5.173 7.441 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.837 6.659 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.730 8.002 4.644 1.00 0.00 H new ATOM 671 N THR A 46 5.741 8.510 3.387 1.00 0.00 N ATOM 672 CA THR A 46 6.462 9.160 2.300 1.00 0.00 C ATOM 673 C THR A 46 6.650 8.211 1.121 1.00 0.00 C ATOM 674 O THR A 46 6.206 8.495 0.008 1.00 0.00 O ATOM 675 CB THR A 46 7.841 9.664 2.763 1.00 0.00 C ATOM 676 OG1 THR A 46 8.549 8.612 3.429 1.00 0.00 O ATOM 677 CG2 THR A 46 7.696 10.854 3.700 1.00 0.00 C ATOM 0 H THR A 46 6.338 8.128 4.120 1.00 0.00 H new ATOM 0 HA THR A 46 5.859 10.012 1.985 1.00 0.00 H new ATOM 0 HB THR A 46 8.401 9.980 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.256 8.561 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.683 11.192 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.182 11.664 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.118 10.559 4.576 1.00 0.00 H new ATOM 685 N ILE A 47 7.310 7.086 1.372 1.00 0.00 N ATOM 686 CA ILE A 47 7.554 6.095 0.331 1.00 0.00 C ATOM 687 C ILE A 47 6.259 5.408 -0.088 1.00 0.00 C ATOM 688 O ILE A 47 5.900 5.403 -1.266 1.00 0.00 O ATOM 689 CB ILE A 47 8.563 5.028 0.796 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.900 5.679 1.153 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.753 3.974 -0.285 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.664 4.940 2.229 1.00 0.00 C ATOM 0 H ILE A 47 7.686 6.838 2.287 1.00 0.00 H new ATOM 0 HA ILE A 47 7.971 6.629 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 47 8.169 4.541 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.517 5.738 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.720 6.702 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.469 3.227 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.798 3.492 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.129 4.447 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.601 5.458 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.066 4.903 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.876 3.925 1.893 1.00 0.00 H new ATOM 704 N LEU A 48 5.563 4.829 0.883 1.00 0.00 N ATOM 705 CA LEU A 48 4.305 4.139 0.615 1.00 0.00 C ATOM 706 C LEU A 48 3.542 4.818 -0.518 1.00 0.00 C ATOM 707 O LEU A 48 3.022 4.153 -1.415 1.00 0.00 O ATOM 708 CB LEU A 48 3.441 4.104 1.877 1.00 0.00 C ATOM 709 CG LEU A 48 3.856 3.093 2.946 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.861 3.092 4.096 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.978 1.701 2.344 1.00 0.00 C ATOM 0 H LEU A 48 5.847 4.823 1.863 1.00 0.00 H new ATOM 0 HA LEU A 48 4.537 3.118 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.446 5.098 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.413 3.891 1.584 1.00 0.00 H new ATOM 0 HG LEU A 48 4.831 3.386 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.173 2.366 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.823 4.085 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.873 2.825 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.274 0.994 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.017 1.400 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.730 1.710 1.555 1.00 0.00 H new ATOM 723 N CYS A 49 3.480 6.144 -0.471 1.00 0.00 N ATOM 724 CA CYS A 49 2.782 6.914 -1.496 1.00 0.00 C ATOM 725 C CYS A 49 3.403 6.681 -2.869 1.00 0.00 C ATOM 726 O CYS A 49 2.718 6.291 -3.815 1.00 0.00 O ATOM 727 CB CYS A 49 2.815 8.404 -1.153 1.00 0.00 C ATOM 728 SG CYS A 49 1.550 8.918 0.032 1.00 0.00 S ATOM 0 H CYS A 49 3.904 6.709 0.265 1.00 0.00 H new ATOM 0 HA CYS A 49 1.745 6.578 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.797 8.651 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.693 8.980 -2.071 1.00 0.00 H new ATOM 0 HG CYS A 49 1.661 10.193 0.259 1.00 0.00 H new ATOM 734 N THR A 50 4.707 6.922 -2.972 1.00 0.00 N ATOM 735 CA THR A 50 5.421 6.742 -4.229 1.00 0.00 C ATOM 736 C THR A 50 5.265 5.317 -4.750 1.00 0.00 C ATOM 737 O THR A 50 5.019 5.102 -5.937 1.00 0.00 O ATOM 738 CB THR A 50 6.920 7.060 -4.076 1.00 0.00 C ATOM 739 OG1 THR A 50 7.362 6.707 -2.761 1.00 0.00 O ATOM 740 CG2 THR A 50 7.187 8.536 -4.328 1.00 0.00 C ATOM 0 H THR A 50 5.290 7.243 -2.199 1.00 0.00 H new ATOM 0 HA THR A 50 4.982 7.438 -4.944 1.00 0.00 H new ATOM 0 HB THR A 50 7.472 6.477 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.960 5.852 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.252 8.738 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.875 8.795 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.626 9.135 -3.611 1.00 0.00 H new ATOM 748 N LEU A 51 5.412 4.346 -3.854 1.00 0.00 N ATOM 749 CA LEU A 51 5.287 2.941 -4.224 1.00 0.00 C ATOM 750 C LEU A 51 4.058 2.713 -5.097 1.00 0.00 C ATOM 751 O LEU A 51 4.126 2.025 -6.115 1.00 0.00 O ATOM 752 CB LEU A 51 5.204 2.069 -2.969 1.00 0.00 C ATOM 753 CG LEU A 51 4.672 0.650 -3.171 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.681 -0.195 -3.934 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.340 0.009 -1.832 1.00 0.00 C ATOM 0 H LEU A 51 5.618 4.506 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 51 6.172 2.662 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.200 2.003 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.568 2.574 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 51 3.757 0.706 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.285 -1.202 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.868 0.254 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.614 -0.244 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.963 -1.000 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.239 -0.035 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.580 0.602 -1.323 1.00 0.00 H new ATOM 767 N MET A 52 2.935 3.298 -4.692 1.00 0.00 N ATOM 768 CA MET A 52 1.690 3.162 -5.440 1.00 0.00 C ATOM 769 C MET A 52 1.783 3.874 -6.785 1.00 0.00 C ATOM 770 O MET A 52 1.398 3.326 -7.817 1.00 0.00 O ATOM 771 CB MET A 52 0.520 3.725 -4.631 1.00 0.00 C ATOM 772 CG MET A 52 -0.841 3.272 -5.135 1.00 0.00 C ATOM 773 SD MET A 52 -1.118 1.507 -4.891 1.00 0.00 S ATOM 774 CE MET A 52 -1.824 1.053 -6.474 1.00 0.00 C ATOM 0 H MET A 52 2.862 3.870 -3.851 1.00 0.00 H new ATOM 0 HA MET A 52 1.519 2.101 -5.622 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.631 3.424 -3.589 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.563 4.814 -4.655 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.620 3.833 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.928 3.507 -6.196 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.820 -0.032 -6.576 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.849 1.419 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.233 1.495 -7.276 1.00 0.00 H new ATOM 784 N ASN A 53 2.299 5.100 -6.766 1.00 0.00 N ATOM 785 CA ASN A 53 2.441 5.888 -7.985 1.00 0.00 C ATOM 786 C ASN A 53 3.171 5.093 -9.065 1.00 0.00 C ATOM 787 O ASN A 53 2.941 5.289 -10.258 1.00 0.00 O ATOM 788 CB ASN A 53 3.198 7.185 -7.694 1.00 0.00 C ATOM 789 CG ASN A 53 2.270 8.321 -7.308 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.651 9.075 -6.284 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.223 8.518 -7.925 1.00 0.00 N flip ATOM 0 H ASN A 53 2.625 5.568 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 53 1.443 6.131 -8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.912 7.013 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.773 7.472 -8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.970 7.913 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.609 9.286 -7.655 1.00 0.00 H new ATOM 798 N LYS A 54 4.049 4.193 -8.637 1.00 0.00 N ATOM 799 CA LYS A 54 4.812 3.366 -9.564 1.00 0.00 C ATOM 800 C LYS A 54 3.909 2.350 -10.255 1.00 0.00 C ATOM 801 O LYS A 54 3.966 2.180 -11.473 1.00 0.00 O ATOM 802 CB LYS A 54 5.941 2.644 -8.826 1.00 0.00 C ATOM 803 CG LYS A 54 6.915 3.582 -8.136 1.00 0.00 C ATOM 804 CD LYS A 54 7.777 4.328 -9.139 1.00 0.00 C ATOM 805 CE LYS A 54 8.185 5.697 -8.615 1.00 0.00 C ATOM 806 NZ LYS A 54 7.007 6.582 -8.401 1.00 0.00 N ATOM 0 H LYS A 54 4.250 4.017 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 54 5.243 4.018 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.508 1.974 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.488 2.023 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.363 4.297 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.553 3.013 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.669 3.742 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.230 4.444 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.727 5.580 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.869 6.167 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.291 7.574 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.264 6.343 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.642 6.447 -7.436 1.00 0.00 H new ATOM 820 N LEU A 55 3.075 1.676 -9.469 1.00 0.00 N ATOM 821 CA LEU A 55 2.158 0.677 -10.006 1.00 0.00 C ATOM 822 C LEU A 55 1.023 1.339 -10.780 1.00 0.00 C ATOM 823 O LEU A 55 0.797 1.033 -11.950 1.00 0.00 O ATOM 824 CB LEU A 55 1.587 -0.180 -8.875 1.00 0.00 C ATOM 825 CG LEU A 55 2.598 -0.705 -7.855 1.00 0.00 C ATOM 826 CD1 LEU A 55 1.886 -1.422 -6.718 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.600 -1.633 -8.528 1.00 0.00 C ATOM 0 H LEU A 55 3.015 1.804 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 55 2.716 0.039 -10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.837 0.407 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.071 -1.032 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 55 3.140 0.144 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.621 -1.789 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.208 -0.730 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.318 -2.262 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.312 -1.998 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.073 -2.478 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.133 -1.089 -9.307 1.00 0.00 H new ATOM 839 N GLN A 56 0.315 2.249 -10.120 1.00 0.00 N ATOM 840 CA GLN A 56 -0.796 2.956 -10.747 1.00 0.00 C ATOM 841 C GLN A 56 -0.406 4.390 -11.086 1.00 0.00 C ATOM 842 O GLN A 56 0.023 5.162 -10.227 1.00 0.00 O ATOM 843 CB GLN A 56 -2.017 2.950 -9.826 1.00 0.00 C ATOM 844 CG GLN A 56 -3.093 3.942 -10.236 1.00 0.00 C ATOM 845 CD GLN A 56 -4.487 3.478 -9.864 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.227 2.965 -10.704 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.854 3.658 -8.601 1.00 0.00 N ATOM 0 H GLN A 56 0.491 2.515 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.047 2.439 -11.673 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.445 1.948 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.696 3.175 -8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.895 4.903 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.043 4.102 -11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.208 4.087 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.782 3.367 -8.293 1.00 0.00 H new ATOM 856 N PRO A 57 -0.557 4.759 -12.366 1.00 0.00 N ATOM 857 CA PRO A 57 -0.227 6.104 -12.848 1.00 0.00 C ATOM 858 C PRO A 57 -1.196 7.160 -12.327 1.00 0.00 C ATOM 859 O PRO A 57 -1.099 8.334 -12.682 1.00 0.00 O ATOM 860 CB PRO A 57 -0.343 5.974 -14.368 1.00 0.00 C ATOM 861 CG PRO A 57 -1.293 4.847 -14.582 1.00 0.00 C ATOM 862 CD PRO A 57 -1.063 3.891 -13.443 1.00 0.00 C ATOM 0 HA PRO A 57 0.756 6.429 -12.509 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.715 6.895 -14.817 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.626 5.766 -14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.324 5.202 -14.592 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.113 4.362 -15.541 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.983 3.384 -13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.343 3.117 -13.707 1.00 0.00 H new ATOM 870 N GLY A 58 -2.131 6.735 -11.484 1.00 0.00 N ATOM 871 CA GLY A 58 -3.105 7.656 -10.928 1.00 0.00 C ATOM 872 C GLY A 58 -3.563 7.249 -9.542 1.00 0.00 C ATOM 873 O GLY A 58 -4.760 7.093 -9.298 1.00 0.00 O ATOM 0 H GLY A 58 -2.232 5.768 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.672 8.655 -10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.968 7.711 -11.591 1.00 0.00 H new ATOM 877 N SER A 59 -2.610 7.076 -8.631 1.00 0.00 N ATOM 878 CA SER A 59 -2.923 6.679 -7.264 1.00 0.00 C ATOM 879 C SER A 59 -2.816 7.868 -6.315 1.00 0.00 C ATOM 880 O SER A 59 -3.804 8.288 -5.712 1.00 0.00 O ATOM 881 CB SER A 59 -1.983 5.561 -6.807 1.00 0.00 C ATOM 882 OG SER A 59 -0.672 5.764 -7.303 1.00 0.00 O ATOM 0 H SER A 59 -1.615 7.205 -8.816 1.00 0.00 H new ATOM 0 HA SER A 59 -3.949 6.312 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.961 5.522 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.361 4.599 -7.153 1.00 0.00 H new ATOM 0 HG SER A 59 -0.639 5.518 -8.251 1.00 0.00 H new ATOM 888 N VAL A 60 -1.608 8.408 -6.186 1.00 0.00 N ATOM 889 CA VAL A 60 -1.370 9.549 -5.311 1.00 0.00 C ATOM 890 C VAL A 60 -1.029 10.798 -6.118 1.00 0.00 C ATOM 891 O VAL A 60 -0.064 10.830 -6.883 1.00 0.00 O ATOM 892 CB VAL A 60 -0.228 9.267 -4.318 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.062 10.428 -3.349 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.483 7.968 -3.569 1.00 0.00 C ATOM 0 H VAL A 60 -0.779 8.073 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.292 9.718 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 60 0.700 9.160 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.750 10.210 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.170 11.336 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.987 10.571 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.334 7.784 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.421 8.044 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.545 7.144 -4.280 1.00 0.00 H new ATOM 904 N PRO A 61 -1.840 11.853 -5.946 1.00 0.00 N ATOM 905 CA PRO A 61 -1.645 13.124 -6.648 1.00 0.00 C ATOM 906 C PRO A 61 -0.408 13.871 -6.163 1.00 0.00 C ATOM 907 O PRO A 61 0.407 14.332 -6.962 1.00 0.00 O ATOM 908 CB PRO A 61 -2.912 13.914 -6.312 1.00 0.00 C ATOM 909 CG PRO A 61 -3.384 13.341 -5.020 1.00 0.00 C ATOM 910 CD PRO A 61 -3.009 11.885 -5.051 1.00 0.00 C ATOM 0 HA PRO A 61 -1.488 12.978 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.701 14.979 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.665 13.805 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.916 13.846 -4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.461 13.464 -4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.764 11.512 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.823 11.268 -5.431 1.00 0.00 H new ATOM 918 N LYS A 62 -0.271 13.988 -4.845 1.00 0.00 N ATOM 919 CA LYS A 62 0.867 14.678 -4.252 1.00 0.00 C ATOM 920 C LYS A 62 1.100 14.208 -2.819 1.00 0.00 C ATOM 921 O LYS A 62 0.151 13.974 -2.070 1.00 0.00 O ATOM 922 CB LYS A 62 0.640 16.191 -4.272 1.00 0.00 C ATOM 923 CG LYS A 62 1.927 16.997 -4.342 1.00 0.00 C ATOM 924 CD LYS A 62 1.652 18.491 -4.289 1.00 0.00 C ATOM 925 CE LYS A 62 1.237 19.029 -5.650 1.00 0.00 C ATOM 926 NZ LYS A 62 1.128 20.515 -5.649 1.00 0.00 N ATOM 0 H LYS A 62 -0.935 13.613 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 62 1.752 14.442 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.015 16.445 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.088 16.479 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.579 16.716 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.459 16.756 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.865 18.692 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.544 19.015 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.964 18.719 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.279 18.595 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.843 20.843 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.416 20.810 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.049 20.930 -5.401 1.00 0.00 H new ATOM 940 N ILE A 63 2.368 14.075 -2.444 1.00 0.00 N ATOM 941 CA ILE A 63 2.724 13.636 -1.100 1.00 0.00 C ATOM 942 C ILE A 63 2.967 14.826 -0.179 1.00 0.00 C ATOM 943 O ILE A 63 3.547 15.831 -0.587 1.00 0.00 O ATOM 944 CB ILE A 63 3.983 12.747 -1.114 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.734 11.487 -1.945 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.387 12.380 0.306 1.00 0.00 C ATOM 947 CD1 ILE A 63 5.005 10.817 -2.421 1.00 0.00 C ATOM 0 H ILE A 63 3.165 14.265 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 63 1.882 13.055 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 63 4.800 13.305 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.159 10.777 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.124 11.746 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.278 11.752 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.600 13.288 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.574 11.836 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.753 9.931 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.571 11.511 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.607 10.526 -1.560 1.00 0.00 H new ATOM 959 N ASN A 64 2.519 14.705 1.066 1.00 0.00 N ATOM 960 CA ASN A 64 2.688 15.771 2.046 1.00 0.00 C ATOM 961 C ASN A 64 4.167 16.024 2.326 1.00 0.00 C ATOM 962 O ASN A 64 4.653 17.145 2.180 1.00 0.00 O ATOM 963 CB ASN A 64 1.965 15.416 3.348 1.00 0.00 C ATOM 964 CG ASN A 64 0.532 15.909 3.365 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.278 17.113 3.417 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.415 14.979 3.323 1.00 0.00 N ATOM 0 H ASN A 64 2.036 13.879 1.420 1.00 0.00 H new ATOM 0 HA ASN A 64 2.253 16.681 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.976 14.335 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.505 15.848 4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.398 15.251 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.159 13.992 3.280 1.00 0.00 H new ATOM 973 N ARG A 65 4.875 14.973 2.728 1.00 0.00 N ATOM 974 CA ARG A 65 6.298 15.080 3.028 1.00 0.00 C ATOM 975 C ARG A 65 6.568 16.254 3.966 1.00 0.00 C ATOM 976 O ARG A 65 7.669 16.802 3.987 1.00 0.00 O ATOM 977 CB ARG A 65 7.101 15.249 1.738 1.00 0.00 C ATOM 978 CG ARG A 65 8.569 14.882 1.882 1.00 0.00 C ATOM 979 CD ARG A 65 8.741 13.526 2.549 1.00 0.00 C ATOM 980 NE ARG A 65 8.834 13.638 4.002 1.00 0.00 N ATOM 981 CZ ARG A 65 9.910 14.090 4.636 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.978 14.471 3.949 1.00 0.00 N ATOM 983 NH2 ARG A 65 9.918 14.163 5.961 1.00 0.00 N ATOM 0 H ARG A 65 4.487 14.038 2.853 1.00 0.00 H new ATOM 0 HA ARG A 65 6.610 14.161 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.655 14.631 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.025 16.284 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.040 14.868 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.080 15.645 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.899 12.884 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.640 13.044 2.164 1.00 0.00 H new ATOM 0 HE ARG A 65 8.029 13.354 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.975 14.418 2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.803 14.818 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.098 13.872 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.744 14.510 6.448 1.00 0.00 H new ATOM 997 N SER A 66 5.554 16.631 4.739 1.00 0.00 N ATOM 998 CA SER A 66 5.682 17.742 5.677 1.00 0.00 C ATOM 999 C SER A 66 5.911 17.231 7.096 1.00 0.00 C ATOM 1000 O SER A 66 5.975 16.024 7.330 1.00 0.00 O ATOM 1001 CB SER A 66 4.429 18.618 5.634 1.00 0.00 C ATOM 1002 OG SER A 66 4.675 19.888 6.213 1.00 0.00 O ATOM 0 H SER A 66 4.637 16.185 4.735 1.00 0.00 H new ATOM 0 HA SER A 66 6.545 18.339 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.104 18.742 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.617 18.123 6.167 1.00 0.00 H new ATOM 0 HG SER A 66 3.859 20.430 6.172 1.00 0.00 H new ATOM 1008 N MET A 67 6.032 18.159 8.039 1.00 0.00 N ATOM 1009 CA MET A 67 6.252 17.803 9.437 1.00 0.00 C ATOM 1010 C MET A 67 4.926 17.616 10.166 1.00 0.00 C ATOM 1011 O MET A 67 4.817 16.791 11.073 1.00 0.00 O ATOM 1012 CB MET A 67 7.084 18.881 10.134 1.00 0.00 C ATOM 1013 CG MET A 67 7.835 18.374 11.354 1.00 0.00 C ATOM 1014 SD MET A 67 8.438 19.711 12.404 1.00 0.00 S ATOM 1015 CE MET A 67 9.910 18.961 13.096 1.00 0.00 C ATOM 0 H MET A 67 5.982 19.162 7.862 1.00 0.00 H new ATOM 0 HA MET A 67 6.797 16.859 9.465 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.799 19.293 9.422 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.427 19.697 10.435 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.179 17.727 11.937 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.678 17.764 11.029 1.00 0.00 H new ATOM 0 HE1 MET A 67 10.396 19.667 13.769 1.00 0.00 H new ATOM 0 HE2 MET A 67 9.635 18.063 13.649 1.00 0.00 H new ATOM 0 HE3 MET A 67 10.596 18.696 12.291 1.00 0.00 H new ATOM 1025 N GLN A 68 3.921 18.387 9.764 1.00 0.00 N ATOM 1026 CA GLN A 68 2.603 18.306 10.380 1.00 0.00 C ATOM 1027 C GLN A 68 2.169 16.853 10.551 1.00 0.00 C ATOM 1028 O GLN A 68 2.455 16.007 9.705 1.00 0.00 O ATOM 1029 CB GLN A 68 1.574 19.062 9.537 1.00 0.00 C ATOM 1030 CG GLN A 68 1.912 20.531 9.337 1.00 0.00 C ATOM 1031 CD GLN A 68 1.969 21.299 10.641 1.00 0.00 C ATOM 1032 OE1 GLN A 68 1.427 20.863 11.657 1.00 0.00 O ATOM 1033 NE2 GLN A 68 2.628 22.452 10.622 1.00 0.00 N ATOM 0 H GLN A 68 3.995 19.075 9.014 1.00 0.00 H new ATOM 0 HA GLN A 68 2.663 18.767 11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.491 18.581 8.562 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.597 18.984 10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.873 20.613 8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.167 20.986 8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.063 22.777 9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.699 23.013 11.471 1.00 0.00 H new ATOM 1042 N ASN A 69 1.480 16.572 11.651 1.00 0.00 N ATOM 1043 CA ASN A 69 1.008 15.221 11.933 1.00 0.00 C ATOM 1044 C ASN A 69 -0.132 14.836 10.994 1.00 0.00 C ATOM 1045 O ASN A 69 -0.089 13.790 10.346 1.00 0.00 O ATOM 1046 CB ASN A 69 0.544 15.114 13.387 1.00 0.00 C ATOM 1047 CG ASN A 69 1.685 15.287 14.372 1.00 0.00 C ATOM 1048 OD1 ASN A 69 2.825 15.535 13.980 1.00 0.00 O ATOM 1049 ND2 ASN A 69 1.380 15.155 15.657 1.00 0.00 N ATOM 0 H ASN A 69 1.236 17.261 12.362 1.00 0.00 H new ATOM 0 HA ASN A 69 1.837 14.532 11.771 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.217 15.871 13.580 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.075 14.143 13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.105 15.259 16.367 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.420 14.949 15.935 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.148 15.687 10.927 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.300 15.436 10.067 1.00 0.00 C ATOM 1058 C TRP A 70 -1.860 15.185 8.629 1.00 0.00 C ATOM 1059 O TRP A 70 -2.451 14.366 7.924 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.267 16.620 10.118 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.579 17.951 10.131 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -2.050 18.611 9.058 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.341 18.782 11.272 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.499 19.803 9.465 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.665 19.931 10.818 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.637 18.669 12.634 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -1.280 20.957 11.678 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.253 19.687 13.485 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.582 20.818 13.005 1.00 0.00 C ATOM 0 H TRP A 70 -1.199 16.557 11.457 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.809 14.544 10.433 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.933 16.572 9.257 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.890 16.533 11.008 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.063 18.250 8.040 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.041 20.482 8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.156 17.802 13.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.762 21.830 11.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.474 19.609 14.539 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.297 21.597 13.697 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.820 15.892 8.200 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.301 15.744 6.845 1.00 0.00 C ATOM 1082 C HIS A 71 0.213 14.325 6.612 1.00 0.00 C ATOM 1083 O HIS A 71 -0.124 13.690 5.615 1.00 0.00 O ATOM 1084 CB HIS A 71 0.819 16.752 6.591 1.00 0.00 C ATOM 1085 CG HIS A 71 0.326 18.099 6.160 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.107 19.235 6.200 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.877 18.489 5.676 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.405 20.265 5.761 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.803 19.838 5.436 1.00 0.00 N ATOM 0 H HIS A 71 -0.320 16.573 8.771 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.116 15.936 6.148 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.409 16.864 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.486 16.356 5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.736 17.856 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.758 21.282 5.681 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.557 20.417 5.067 1.00 0.00 H new ATOM 1098 N GLN A 72 1.031 13.839 7.539 1.00 0.00 N ATOM 1099 CA GLN A 72 1.592 12.497 7.433 1.00 0.00 C ATOM 1100 C GLN A 72 0.488 11.455 7.292 1.00 0.00 C ATOM 1101 O GLN A 72 0.639 10.469 6.568 1.00 0.00 O ATOM 1102 CB GLN A 72 2.452 12.183 8.660 1.00 0.00 C ATOM 1103 CG GLN A 72 3.905 12.604 8.508 1.00 0.00 C ATOM 1104 CD GLN A 72 4.644 12.636 9.831 1.00 0.00 C ATOM 1105 OE1 GLN A 72 5.059 11.599 10.349 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.812 13.831 10.387 1.00 0.00 N ATOM 0 H GLN A 72 1.320 14.353 8.371 1.00 0.00 H new ATOM 0 HA GLN A 72 2.217 12.461 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.026 12.684 9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.411 11.112 8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.410 11.915 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.947 13.592 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.452 14.665 9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.301 13.915 11.278 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.622 11.677 7.987 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.752 10.757 7.938 1.00 0.00 C ATOM 1117 C LEU A 73 -2.364 10.718 6.541 1.00 0.00 C ATOM 1118 O LEU A 73 -2.545 9.647 5.964 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.814 11.168 8.960 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.622 10.633 10.379 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -2.771 9.120 10.405 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.263 11.046 10.926 1.00 0.00 C ATOM 0 H LEU A 73 -0.763 12.487 8.591 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.387 9.760 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.844 12.257 9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.787 10.837 8.597 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.394 11.064 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.631 8.758 11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.767 8.846 10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.022 8.669 9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.144 10.656 11.937 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.476 10.644 10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.194 12.134 10.946 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.676 11.893 6.004 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.264 11.992 4.674 1.00 0.00 C ATOM 1136 C GLU A 74 -2.543 11.075 3.690 1.00 0.00 C ATOM 1137 O GLU A 74 -3.171 10.436 2.847 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.210 13.437 4.174 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.148 13.714 3.012 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.603 13.463 3.363 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -6.116 14.137 4.281 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.226 12.593 2.721 1.00 0.00 O ATOM 0 H GLU A 74 -2.531 12.789 6.469 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.305 11.677 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.457 14.107 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.189 13.669 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.029 14.749 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.868 13.085 2.167 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.220 11.016 3.805 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.413 10.178 2.926 1.00 0.00 C ATOM 1151 C ASN A 75 -0.955 8.752 2.885 1.00 0.00 C ATOM 1152 O ASN A 75 -1.234 8.214 1.813 1.00 0.00 O ATOM 1153 CB ASN A 75 1.044 10.168 3.393 1.00 0.00 C ATOM 1154 CG ASN A 75 1.743 11.488 3.130 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.295 12.289 2.310 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.849 11.721 3.829 1.00 0.00 N ATOM 0 H ASN A 75 -0.684 11.539 4.498 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.463 10.596 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.080 9.947 4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.581 9.368 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.362 12.592 3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.184 11.029 4.499 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.102 8.147 4.058 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.611 6.784 4.158 1.00 0.00 C ATOM 1165 C LEU A 76 -3.043 6.698 3.638 1.00 0.00 C ATOM 1166 O LEU A 76 -3.370 5.827 2.833 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.554 6.301 5.607 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.156 6.166 6.215 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.248 5.852 7.700 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.639 5.092 5.489 1.00 0.00 C ATOM 0 H LEU A 76 -0.876 8.579 4.954 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.981 6.142 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.131 6.992 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.049 5.332 5.666 1.00 0.00 H new ATOM 0 HG LEU A 76 0.364 7.117 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.756 5.760 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.779 6.656 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.787 4.915 7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.630 5.010 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.122 4.136 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.735 5.359 4.437 1.00 0.00 H new ATOM 1182 N SER A 77 -3.891 7.610 4.102 1.00 0.00 N ATOM 1183 CA SER A 77 -5.289 7.637 3.686 1.00 0.00 C ATOM 1184 C SER A 77 -5.404 7.575 2.165 1.00 0.00 C ATOM 1185 O SER A 77 -6.276 6.897 1.624 1.00 0.00 O ATOM 1186 CB SER A 77 -5.975 8.899 4.210 1.00 0.00 C ATOM 1187 OG SER A 77 -7.377 8.716 4.304 1.00 0.00 O ATOM 0 H SER A 77 -3.635 8.340 4.766 1.00 0.00 H new ATOM 0 HA SER A 77 -5.785 6.762 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.572 9.155 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.758 9.737 3.547 1.00 0.00 H new ATOM 0 HG SER A 77 -7.792 9.537 4.643 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.515 8.289 1.482 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.515 8.316 0.024 1.00 0.00 C ATOM 1195 C ASN A 78 -4.086 6.968 -0.546 1.00 0.00 C ATOM 1196 O ASN A 78 -4.800 6.366 -1.349 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.584 9.418 -0.486 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.265 10.773 -0.540 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.462 10.867 -0.813 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.503 11.828 -0.280 1.00 0.00 N ATOM 0 H ASN A 78 -3.786 8.856 1.915 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.531 8.524 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.710 9.480 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.225 9.155 -1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.905 12.765 -0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.515 11.702 -0.059 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.916 6.499 -0.126 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.392 5.222 -0.595 1.00 0.00 C ATOM 1209 C PHE A 79 -3.426 4.114 -0.427 1.00 0.00 C ATOM 1210 O PHE A 79 -3.657 3.322 -1.341 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.114 4.861 0.166 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.687 3.433 -0.022 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.672 2.861 -1.283 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.300 2.664 1.064 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.281 1.547 -1.458 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.092 1.350 0.895 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.103 0.791 -0.368 1.00 0.00 C ATOM 0 H PHE A 79 -2.313 6.984 0.538 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.161 5.321 -1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.308 5.519 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.268 5.049 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.969 3.448 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.305 3.097 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.276 1.112 -2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.390 0.761 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.411 -0.235 -0.503 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.046 4.064 0.748 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.056 3.054 1.036 1.00 0.00 C ATOM 1229 C ILE A 80 -6.142 3.040 -0.036 1.00 0.00 C ATOM 1230 O ILE A 80 -6.433 2.001 -0.626 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.710 3.289 2.411 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.659 3.217 3.519 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.815 2.271 2.653 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.051 3.970 4.772 1.00 0.00 C ATOM 0 H ILE A 80 -3.866 4.711 1.515 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.546 2.091 1.045 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.152 4.285 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.481 2.172 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.718 3.618 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.267 2.450 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.575 2.367 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.395 1.265 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.260 3.876 5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.201 5.023 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.976 3.554 5.172 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.736 4.202 -0.283 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.787 4.327 -1.285 1.00 0.00 C ATOM 1248 C LYS A 81 -7.292 3.864 -2.652 1.00 0.00 C ATOM 1249 O LYS A 81 -8.030 3.233 -3.409 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.269 5.776 -1.371 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.114 6.207 -0.183 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.591 5.955 -0.428 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.009 4.574 0.051 1.00 0.00 C ATOM 1254 NZ LYS A 81 -12.488 4.405 0.037 1.00 0.00 N ATOM 0 H LYS A 81 -6.507 5.072 0.198 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.619 3.691 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.404 6.434 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.850 5.904 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.795 5.665 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.953 7.267 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.181 6.713 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.806 6.052 -1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.551 3.816 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.635 4.412 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.732 3.450 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.924 5.112 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.843 4.534 -0.932 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.039 4.180 -2.961 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.445 3.792 -4.235 1.00 0.00 C ATOM 1270 C ALA A 82 -5.460 2.278 -4.410 1.00 0.00 C ATOM 1271 O ALA A 82 -5.688 1.773 -5.509 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.023 4.324 -4.338 1.00 0.00 C ATOM 0 H ALA A 82 -5.415 4.704 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.043 4.229 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.592 4.027 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.035 5.412 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.422 3.915 -3.526 1.00 0.00 H new ATOM 1278 N MET A 83 -5.215 1.558 -3.320 1.00 0.00 N ATOM 1279 CA MET A 83 -5.201 0.101 -3.353 1.00 0.00 C ATOM 1280 C MET A 83 -6.568 -0.446 -3.753 1.00 0.00 C ATOM 1281 O MET A 83 -6.667 -1.345 -4.590 1.00 0.00 O ATOM 1282 CB MET A 83 -4.795 -0.459 -1.988 1.00 0.00 C ATOM 1283 CG MET A 83 -3.324 -0.253 -1.662 1.00 0.00 C ATOM 1284 SD MET A 83 -2.733 -1.381 -0.385 1.00 0.00 S ATOM 1285 CE MET A 83 -3.225 -0.503 1.096 1.00 0.00 C ATOM 0 H MET A 83 -5.023 1.961 -2.403 1.00 0.00 H new ATOM 0 HA MET A 83 -4.470 -0.213 -4.098 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.400 0.015 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.020 -1.525 -1.960 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.732 -0.392 -2.567 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.169 0.775 -1.334 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.806 -1.001 1.970 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.857 0.522 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.312 -0.495 1.170 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.619 0.099 -3.150 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.979 -0.334 -3.445 1.00 0.00 C ATOM 1297 C VAL A 84 -9.246 -0.327 -4.945 1.00 0.00 C ATOM 1298 O VAL A 84 -9.845 -1.258 -5.484 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.018 0.563 -2.745 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.424 0.213 -3.208 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.898 0.438 -1.234 1.00 0.00 C ATOM 0 H VAL A 84 -7.555 0.842 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.075 -1.352 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.820 1.600 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.144 0.857 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.499 0.360 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.637 -0.829 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.639 1.078 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.069 -0.598 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.899 0.743 -0.922 1.00 0.00 H new ATOM 1311 N SER A 85 -8.796 0.729 -5.616 1.00 0.00 N ATOM 1312 CA SER A 85 -8.989 0.859 -7.056 1.00 0.00 C ATOM 1313 C SER A 85 -8.136 -0.155 -7.812 1.00 0.00 C ATOM 1314 O SER A 85 -8.582 -0.748 -8.794 1.00 0.00 O ATOM 1315 CB SER A 85 -8.640 2.277 -7.512 1.00 0.00 C ATOM 1316 OG SER A 85 -8.900 2.447 -8.894 1.00 0.00 O ATOM 0 H SER A 85 -8.295 1.507 -5.186 1.00 0.00 H new ATOM 0 HA SER A 85 -10.038 0.662 -7.277 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.220 3.000 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.588 2.479 -7.309 1.00 0.00 H new ATOM 0 HG SER A 85 -8.670 3.362 -9.160 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.907 -0.347 -7.347 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.989 -1.288 -7.980 1.00 0.00 C ATOM 1324 C TYR A 86 -6.660 -2.640 -8.198 1.00 0.00 C ATOM 1325 O TYR A 86 -6.419 -3.311 -9.201 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.734 -1.461 -7.124 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.523 -1.914 -7.910 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.009 -1.135 -8.939 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.896 -3.120 -7.624 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.903 -1.545 -9.660 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.789 -3.536 -8.339 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.297 -2.745 -9.356 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.196 -3.158 -10.071 1.00 0.00 O ATOM 0 H TYR A 86 -6.523 0.136 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.705 -0.883 -8.951 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.505 -0.515 -6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.938 -2.187 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.481 -0.194 -9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.280 -3.743 -6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.516 -0.928 -10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.312 -4.476 -8.103 1.00 0.00 H new ATOM 0 HH TYR A 86 0.021 -2.488 -10.753 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.506 -3.035 -7.252 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.201 -4.304 -7.358 1.00 0.00 C ATOM 1345 C GLY A 87 -7.936 -5.212 -6.173 1.00 0.00 C ATOM 1346 O GLY A 87 -7.935 -6.434 -6.308 1.00 0.00 O ATOM 0 H GLY A 87 -7.723 -2.498 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.273 -4.122 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.893 -4.808 -8.274 1.00 0.00 H new ATOM 1350 N MET A 88 -7.709 -4.610 -5.010 1.00 0.00 N ATOM 1351 CA MET A 88 -7.441 -5.374 -3.796 1.00 0.00 C ATOM 1352 C MET A 88 -8.725 -5.602 -3.003 1.00 0.00 C ATOM 1353 O MET A 88 -9.743 -4.958 -3.254 1.00 0.00 O ATOM 1354 CB MET A 88 -6.414 -4.647 -2.928 1.00 0.00 C ATOM 1355 CG MET A 88 -5.031 -4.571 -3.556 1.00 0.00 C ATOM 1356 SD MET A 88 -3.985 -5.968 -3.103 1.00 0.00 S ATOM 1357 CE MET A 88 -3.612 -5.572 -1.396 1.00 0.00 C ATOM 0 H MET A 88 -7.705 -3.598 -4.882 1.00 0.00 H new ATOM 0 HA MET A 88 -7.038 -6.344 -4.088 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.770 -3.636 -2.729 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.340 -5.154 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.130 -4.533 -4.641 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.547 -3.644 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.558 -5.309 -1.305 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.225 -4.730 -1.076 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.825 -6.436 -0.767 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.668 -6.522 -2.045 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.825 -6.834 -1.216 1.00 0.00 C ATOM 1369 C ASN A 89 -9.889 -5.914 -0.001 1.00 0.00 C ATOM 1370 O ASN A 89 -8.894 -5.315 0.407 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.774 -8.295 -0.762 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.345 -9.243 -1.798 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.421 -8.915 -2.982 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.750 -10.429 -1.355 1.00 0.00 N ATOM 0 H ASN A 89 -7.833 -7.064 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.722 -6.677 -1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.741 -8.571 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.329 -8.403 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.143 -11.110 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.668 -10.659 -0.365 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.087 -5.799 0.591 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.310 -4.955 1.769 1.00 0.00 C ATOM 1383 C PRO A 90 -10.636 -5.512 3.018 1.00 0.00 C ATOM 1384 O PRO A 90 -10.519 -4.824 4.032 1.00 0.00 O ATOM 1385 CB PRO A 90 -12.832 -4.967 1.931 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.270 -6.240 1.295 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.316 -6.485 0.158 1.00 0.00 C ATOM 0 HA PRO A 90 -10.889 -3.958 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.119 -4.930 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.289 -4.104 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.244 -7.062 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.296 -6.163 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.147 -7.550 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.695 -6.078 -0.779 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.193 -6.763 2.938 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.530 -7.413 4.062 1.00 0.00 C ATOM 1397 C VAL A 91 -8.013 -7.346 3.918 1.00 0.00 C ATOM 1398 O VAL A 91 -7.276 -7.643 4.857 1.00 0.00 O ATOM 1399 CB VAL A 91 -9.957 -8.887 4.190 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.469 -9.016 4.088 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.269 -9.735 3.132 1.00 0.00 C ATOM 0 H VAL A 91 -10.281 -7.346 2.106 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.832 -6.876 4.961 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.651 -9.252 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.752 -10.065 4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.938 -8.442 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.802 -8.634 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.583 -10.774 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.542 -9.372 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.188 -9.668 3.258 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.553 -6.951 2.735 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.125 -6.843 2.468 1.00 0.00 C ATOM 1413 C ASP A 92 -5.660 -5.393 2.576 1.00 0.00 C ATOM 1414 O ASP A 92 -4.548 -5.056 2.169 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.800 -7.394 1.079 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.794 -8.909 1.043 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -5.495 -9.525 2.086 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.089 -9.479 -0.028 1.00 0.00 O ATOM 0 H ASP A 92 -8.150 -6.701 1.946 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.595 -7.432 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.531 -7.020 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.825 -7.022 0.763 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.519 -4.542 3.123 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.197 -3.127 3.284 1.00 0.00 C ATOM 1425 C LEU A 93 -5.829 -2.814 4.731 1.00 0.00 C ATOM 1426 O LEU A 93 -5.844 -3.694 5.591 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.382 -2.262 2.848 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.827 -2.419 1.394 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.132 -1.676 1.153 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.745 -1.919 0.448 1.00 0.00 C ATOM 0 H LEU A 93 -7.444 -4.805 3.463 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.338 -2.900 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.230 -2.491 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.125 -1.216 3.018 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.993 -3.478 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.434 -1.799 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.906 -2.080 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.992 -0.617 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.079 -2.039 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.547 -0.865 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.832 -2.494 0.603 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.500 -1.553 4.991 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.128 -1.122 6.334 1.00 0.00 C ATOM 1444 C PHE A 94 -5.484 0.346 6.551 1.00 0.00 C ATOM 1445 O PHE A 94 -5.433 1.152 5.623 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.631 -1.335 6.565 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.764 -0.355 5.827 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.466 -0.545 4.487 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.250 0.757 6.473 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.670 0.355 3.806 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.452 1.661 5.797 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.162 1.460 4.461 1.00 0.00 C ATOM 0 H PHE A 94 -5.483 -0.812 4.290 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.688 -1.724 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.422 -1.260 7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.365 -2.346 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.861 -1.407 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.475 0.920 7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.445 0.195 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.056 2.523 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.540 2.165 3.930 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.845 0.684 7.786 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.210 2.055 8.125 1.00 0.00 C ATOM 1464 C GLU A 95 -4.999 2.979 8.037 1.00 0.00 C ATOM 1465 O GLU A 95 -3.918 2.564 7.621 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.808 2.113 9.532 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.285 1.762 9.581 1.00 0.00 C ATOM 1468 CD GLU A 95 -8.788 1.548 10.996 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.497 0.480 11.574 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.473 2.449 11.525 1.00 0.00 O ATOM 0 H GLU A 95 -5.892 0.029 8.566 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.956 2.394 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.259 1.429 10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.668 3.116 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.860 2.560 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.459 0.858 8.997 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.190 4.234 8.429 1.00 0.00 N ATOM 1478 CA ALA A 96 -4.114 5.217 8.396 1.00 0.00 C ATOM 1479 C ALA A 96 -3.486 5.391 9.774 1.00 0.00 C ATOM 1480 O ALA A 96 -2.337 5.811 9.894 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.634 6.551 7.878 1.00 0.00 C ATOM 0 H ALA A 96 -6.080 4.594 8.773 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.342 4.852 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.820 7.276 7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.029 6.421 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.426 6.912 8.534 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.250 5.065 10.812 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.768 5.186 12.184 1.00 0.00 C ATOM 1489 C ASN A 97 -2.967 3.953 12.589 1.00 0.00 C ATOM 1490 O ASN A 97 -2.012 4.047 13.362 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.943 5.384 13.143 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.494 6.796 13.098 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.076 7.662 13.866 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.439 7.033 12.195 1.00 0.00 N ATOM 0 H ASN A 97 -5.205 4.715 10.730 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.113 6.056 12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.736 4.679 12.892 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.622 5.154 14.159 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.849 7.964 12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.755 6.284 11.579 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.361 2.799 12.064 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.680 1.546 12.370 1.00 0.00 C ATOM 1503 C ASP A 98 -1.165 1.731 12.342 1.00 0.00 C ATOM 1504 O ASP A 98 -0.459 1.303 13.256 1.00 0.00 O ATOM 1505 CB ASP A 98 -3.092 0.460 11.376 1.00 0.00 C ATOM 1506 CG ASP A 98 -3.228 0.991 9.963 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -2.720 2.099 9.693 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -3.844 0.298 9.125 1.00 0.00 O ATOM 0 H ASP A 98 -4.149 2.704 11.424 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.973 1.238 13.374 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.353 -0.341 11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.040 0.025 11.690 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.671 2.371 11.287 1.00 0.00 N ATOM 1514 CA LEU A 99 0.760 2.611 11.139 1.00 0.00 C ATOM 1515 C LEU A 99 1.197 3.816 11.965 1.00 0.00 C ATOM 1516 O LEU A 99 2.184 3.752 12.700 1.00 0.00 O ATOM 1517 CB LEU A 99 1.109 2.834 9.666 1.00 0.00 C ATOM 1518 CG LEU A 99 2.597 2.804 9.318 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.163 1.406 9.514 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.820 3.276 7.888 1.00 0.00 C ATOM 0 H LEU A 99 -1.241 2.733 10.522 1.00 0.00 H new ATOM 0 HA LEU A 99 1.292 1.732 11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.602 2.072 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.704 3.798 9.359 1.00 0.00 H new ATOM 0 HG LEU A 99 3.121 3.484 9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.223 1.404 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.037 1.105 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.635 0.706 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.885 3.248 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.283 2.622 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.452 4.296 7.780 1.00 0.00 H new ATOM 1532 N PHE A 100 0.456 4.912 11.842 1.00 0.00 N ATOM 1533 CA PHE A 100 0.768 6.132 12.580 1.00 0.00 C ATOM 1534 C PHE A 100 0.941 5.839 14.067 1.00 0.00 C ATOM 1535 O PHE A 100 2.021 6.028 14.626 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.337 7.171 12.377 1.00 0.00 C ATOM 1537 CG PHE A 100 0.082 8.568 12.735 1.00 0.00 C ATOM 1538 CD1 PHE A 100 1.083 9.209 12.024 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.525 9.241 13.784 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.470 10.495 12.350 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.143 10.527 14.114 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.858 11.155 13.397 1.00 0.00 C ATOM 0 H PHE A 100 -0.364 4.981 11.239 1.00 0.00 H new ATOM 0 HA PHE A 100 1.707 6.530 12.196 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.656 7.152 11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.201 6.893 12.980 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.567 8.698 11.205 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.306 8.754 14.350 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.251 10.984 11.786 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.626 11.041 14.932 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.161 12.159 13.655 1.00 0.00 H new ATOM 1552 N GLU A 101 -0.133 5.377 14.702 1.00 0.00 N ATOM 1553 CA GLU A 101 -0.100 5.059 16.124 1.00 0.00 C ATOM 1554 C GLU A 101 0.146 3.570 16.345 1.00 0.00 C ATOM 1555 O GLU A 101 -0.391 2.971 17.276 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.413 5.475 16.793 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.572 6.978 16.937 1.00 0.00 C ATOM 1558 CD GLU A 101 -0.867 7.526 18.162 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -0.814 6.813 19.186 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -0.366 8.668 18.097 1.00 0.00 O ATOM 0 H GLU A 101 -1.035 5.215 14.254 1.00 0.00 H new ATOM 0 HA GLU A 101 0.722 5.615 16.574 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.247 5.084 16.211 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.470 5.016 17.780 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.178 7.468 16.047 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.633 7.223 16.993 1.00 0.00 H new ATOM 1567 N SER A 102 0.962 2.976 15.479 1.00 0.00 N ATOM 1568 CA SER A 102 1.278 1.556 15.575 1.00 0.00 C ATOM 1569 C SER A 102 0.047 0.754 15.988 1.00 0.00 C ATOM 1570 O SER A 102 0.160 -0.290 16.630 1.00 0.00 O ATOM 1571 CB SER A 102 2.409 1.330 16.579 1.00 0.00 C ATOM 1572 OG SER A 102 1.998 1.660 17.894 1.00 0.00 O ATOM 0 H SER A 102 1.416 3.457 14.703 1.00 0.00 H new ATOM 0 HA SER A 102 1.602 1.213 14.592 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.727 0.288 16.545 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.272 1.936 16.302 1.00 0.00 H new ATOM 0 HG SER A 102 1.090 2.027 17.870 1.00 0.00 H new ATOM 1578 N GLY A 103 -1.129 1.251 15.616 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.364 0.569 15.957 1.00 0.00 C ATOM 1580 C GLY A 103 -2.441 -0.823 15.361 1.00 0.00 C ATOM 1581 O GLY A 103 -3.193 -1.670 15.841 1.00 0.00 O ATOM 0 H GLY A 103 -1.248 2.114 15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.451 0.502 17.041 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.210 1.159 15.605 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.661 -1.060 14.311 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.646 -2.359 13.647 1.00 0.00 C ATOM 1587 C ASN A 104 -0.438 -2.483 12.724 1.00 0.00 C ATOM 1588 O ASN A 104 -0.369 -1.829 11.684 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.936 -2.562 12.849 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.998 -3.296 13.645 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -4.774 -2.683 14.378 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.037 -4.616 13.502 1.00 0.00 N ATOM 0 H ASN A 104 -1.031 -0.370 13.902 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.576 -3.131 14.413 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.324 -1.592 12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.714 -3.123 11.941 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.731 -5.164 14.011 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.373 -5.082 12.883 1.00 0.00 H new ATOM 1599 N MET A 105 0.511 -3.329 13.111 1.00 0.00 N ATOM 1600 CA MET A 105 1.715 -3.541 12.317 1.00 0.00 C ATOM 1601 C MET A 105 1.608 -4.825 11.499 1.00 0.00 C ATOM 1602 O MET A 105 2.395 -5.056 10.581 1.00 0.00 O ATOM 1603 CB MET A 105 2.946 -3.602 13.224 1.00 0.00 C ATOM 1604 CG MET A 105 3.605 -2.250 13.448 1.00 0.00 C ATOM 1605 SD MET A 105 4.889 -1.895 12.233 1.00 0.00 S ATOM 1606 CE MET A 105 3.905 -1.672 10.753 1.00 0.00 C ATOM 0 H MET A 105 0.469 -3.879 13.969 1.00 0.00 H new ATOM 0 HA MET A 105 1.820 -2.701 11.630 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.656 -4.020 14.188 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.675 -4.284 12.787 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.846 -1.469 13.408 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.038 -2.222 14.448 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.492 -1.144 10.002 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.608 -2.646 10.363 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.015 -1.090 10.992 1.00 0.00 H new ATOM 1616 N THR A 106 0.629 -5.657 11.839 1.00 0.00 N ATOM 1617 CA THR A 106 0.420 -6.917 11.137 1.00 0.00 C ATOM 1618 C THR A 106 -0.527 -6.739 9.956 1.00 0.00 C ATOM 1619 O THR A 106 -0.412 -7.433 8.947 1.00 0.00 O ATOM 1620 CB THR A 106 -0.148 -7.997 12.077 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.577 -7.915 12.110 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.405 -7.834 13.485 1.00 0.00 C ATOM 0 H THR A 106 -0.032 -5.481 12.596 1.00 0.00 H new ATOM 0 HA THR A 106 1.395 -7.240 10.772 1.00 0.00 H new ATOM 0 HB THR A 106 0.152 -8.973 11.696 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.931 -8.606 12.708 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.010 -8.608 14.131 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.491 -7.925 13.462 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.131 -6.853 13.872 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.462 -5.804 10.090 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.430 -5.535 9.033 1.00 0.00 C ATOM 1632 C GLN A 107 -1.797 -4.720 7.910 1.00 0.00 C ATOM 1633 O GLN A 107 -2.131 -4.894 6.738 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.641 -4.791 9.597 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.808 -4.703 8.627 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.561 -6.012 8.499 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.693 -6.763 9.467 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -6.061 -6.293 7.301 1.00 0.00 N ATOM 0 H GLN A 107 -1.570 -5.220 10.920 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.758 -6.491 8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.973 -5.291 10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.338 -3.783 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.494 -3.925 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.438 -4.404 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.928 -5.642 6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.578 -7.160 7.155 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.879 -3.831 8.276 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.197 -2.990 7.299 1.00 0.00 C ATOM 1649 C VAL A 108 0.856 -3.781 6.532 1.00 0.00 C ATOM 1650 O VAL A 108 1.226 -3.420 5.416 1.00 0.00 O ATOM 1651 CB VAL A 108 0.475 -1.779 7.972 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.403 -1.072 6.997 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.575 -0.820 8.514 1.00 0.00 C ATOM 0 H VAL A 108 -0.590 -3.675 9.242 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.957 -2.634 6.604 1.00 0.00 H new ATOM 0 HB VAL A 108 1.074 -2.137 8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.868 -0.219 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.176 -1.764 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.831 -0.725 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.082 0.030 8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.202 -0.467 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.193 -1.335 9.249 1.00 0.00 H new ATOM 1663 N GLN A 109 1.334 -4.862 7.140 1.00 0.00 N ATOM 1664 CA GLN A 109 2.347 -5.705 6.513 1.00 0.00 C ATOM 1665 C GLN A 109 1.731 -6.581 5.428 1.00 0.00 C ATOM 1666 O GLN A 109 2.201 -6.601 4.291 1.00 0.00 O ATOM 1667 CB GLN A 109 3.033 -6.580 7.565 1.00 0.00 C ATOM 1668 CG GLN A 109 4.255 -7.317 7.038 1.00 0.00 C ATOM 1669 CD GLN A 109 3.917 -8.690 6.491 1.00 0.00 C ATOM 1670 OE1 GLN A 109 2.893 -8.875 5.834 1.00 0.00 O ATOM 1671 NE2 GLN A 109 4.781 -9.662 6.761 1.00 0.00 N ATOM 0 H GLN A 109 1.037 -5.175 8.064 1.00 0.00 H new ATOM 0 HA GLN A 109 3.090 -5.055 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.330 -5.956 8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.316 -7.307 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.723 -6.722 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.987 -7.419 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.617 -9.463 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.608 -10.607 6.420 1.00 0.00 H new ATOM 1680 N VAL A 110 0.674 -7.304 5.787 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.007 -8.182 4.844 1.00 0.00 C ATOM 1682 C VAL A 110 -0.538 -7.398 3.649 1.00 0.00 C ATOM 1683 O VAL A 110 -0.602 -7.915 2.534 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.176 -8.928 5.515 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.656 -9.911 6.552 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.147 -7.940 6.144 1.00 0.00 C ATOM 0 H VAL A 110 0.271 -7.298 6.724 1.00 0.00 H new ATOM 0 HA VAL A 110 0.729 -8.909 4.500 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.711 -9.492 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.496 -10.429 7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.003 -10.638 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.096 -9.372 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.967 -8.484 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.627 -7.347 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.544 -7.280 5.373 1.00 0.00 H new ATOM 1696 N SER A 111 -0.918 -6.147 3.890 1.00 0.00 N ATOM 1697 CA SER A 111 -1.447 -5.292 2.834 1.00 0.00 C ATOM 1698 C SER A 111 -0.442 -5.151 1.694 1.00 0.00 C ATOM 1699 O SER A 111 -0.795 -5.283 0.522 1.00 0.00 O ATOM 1700 CB SER A 111 -1.797 -3.912 3.394 1.00 0.00 C ATOM 1701 OG SER A 111 -2.769 -3.266 2.591 1.00 0.00 O ATOM 0 H SER A 111 -0.869 -5.703 4.807 1.00 0.00 H new ATOM 0 HA SER A 111 -2.351 -5.758 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.172 -4.014 4.412 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.898 -3.298 3.445 1.00 0.00 H new ATOM 0 HG SER A 111 -3.297 -3.938 2.112 1.00 0.00 H new ATOM 1707 N LEU A 112 0.810 -4.883 2.048 1.00 0.00 N ATOM 1708 CA LEU A 112 1.867 -4.725 1.055 1.00 0.00 C ATOM 1709 C LEU A 112 2.193 -6.057 0.389 1.00 0.00 C ATOM 1710 O LEU A 112 2.396 -6.124 -0.824 1.00 0.00 O ATOM 1711 CB LEU A 112 3.124 -4.147 1.709 1.00 0.00 C ATOM 1712 CG LEU A 112 2.945 -2.827 2.458 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.225 -2.446 3.184 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.524 -1.721 1.500 1.00 0.00 C ATOM 0 H LEU A 112 1.118 -4.771 3.014 1.00 0.00 H new ATOM 0 HA LEU A 112 1.512 -4.035 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.519 -4.886 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.878 -4.003 0.935 1.00 0.00 H new ATOM 0 HG LEU A 112 2.157 -2.958 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.077 -1.503 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.483 -3.226 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.034 -2.335 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.401 -0.789 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.289 -1.592 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.579 -1.989 1.027 1.00 0.00 H new ATOM 1726 N LEU A 113 2.240 -7.117 1.189 1.00 0.00 N ATOM 1727 CA LEU A 113 2.539 -8.449 0.677 1.00 0.00 C ATOM 1728 C LEU A 113 1.447 -8.924 -0.277 1.00 0.00 C ATOM 1729 O LEU A 113 1.681 -9.782 -1.128 1.00 0.00 O ATOM 1730 CB LEU A 113 2.686 -9.440 1.833 1.00 0.00 C ATOM 1731 CG LEU A 113 4.060 -9.490 2.502 1.00 0.00 C ATOM 1732 CD1 LEU A 113 4.000 -10.306 3.785 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.098 -10.067 1.549 1.00 0.00 C ATOM 0 H LEU A 113 2.075 -7.079 2.195 1.00 0.00 H new ATOM 0 HA LEU A 113 3.479 -8.397 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.943 -9.195 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.447 -10.437 1.463 1.00 0.00 H new ATOM 0 HG LEU A 113 4.356 -8.472 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.987 -10.330 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.288 -9.850 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.682 -11.323 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.069 -10.095 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.807 -11.078 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.161 -9.442 0.658 1.00 0.00 H new ATOM 1745 N ALA A 114 0.254 -8.357 -0.131 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.873 -8.718 -0.983 1.00 0.00 C ATOM 1747 C ALA A 114 -0.911 -7.855 -2.240 1.00 0.00 C ATOM 1748 O ALA A 114 -1.263 -8.329 -3.321 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.179 -8.590 -0.213 1.00 0.00 C ATOM 0 H ALA A 114 0.043 -7.646 0.569 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.745 -9.756 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.012 -8.863 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.159 -9.255 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.303 -7.561 0.124 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.547 -6.586 -2.091 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.540 -5.656 -3.215 1.00 0.00 C ATOM 1757 C LEU A 115 0.604 -5.970 -4.174 1.00 0.00 C ATOM 1758 O LEU A 115 0.464 -5.827 -5.389 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.416 -4.217 -2.710 1.00 0.00 C ATOM 1760 CG LEU A 115 0.141 -3.201 -3.709 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.963 -2.690 -4.622 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.807 -2.045 -2.977 1.00 0.00 C ATOM 0 H LEU A 115 -0.253 -6.178 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.482 -5.767 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.402 -3.879 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.223 -4.217 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 115 0.892 -3.698 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.548 -1.968 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.396 -3.525 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.737 -2.209 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.198 -1.332 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.076 -1.549 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.625 -2.425 -2.365 1.00 0.00 H new ATOM 1774 N ALA A 116 1.733 -6.401 -3.622 1.00 0.00 N ATOM 1775 CA ALA A 116 2.898 -6.740 -4.429 1.00 0.00 C ATOM 1776 C ALA A 116 2.638 -7.984 -5.272 1.00 0.00 C ATOM 1777 O ALA A 116 2.750 -7.950 -6.496 1.00 0.00 O ATOM 1778 CB ALA A 116 4.115 -6.947 -3.539 1.00 0.00 C ATOM 0 H ALA A 116 1.866 -6.524 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 116 3.095 -5.909 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.978 -7.200 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.321 -6.031 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.920 -7.759 -2.838 1.00 0.00 H new ATOM 1784 N GLY A 117 2.292 -9.082 -4.606 1.00 0.00 N ATOM 1785 CA GLY A 117 2.023 -10.322 -5.311 1.00 0.00 C ATOM 1786 C GLY A 117 1.235 -10.105 -6.587 1.00 0.00 C ATOM 1787 O GLY A 117 1.407 -10.832 -7.565 1.00 0.00 O ATOM 0 H GLY A 117 2.193 -9.135 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.967 -10.813 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.470 -10.996 -4.656 1.00 0.00 H new ATOM 1791 N LYS A 118 0.363 -9.102 -6.579 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.457 -8.789 -7.744 1.00 0.00 C ATOM 1793 C LYS A 118 0.316 -7.927 -8.737 1.00 0.00 C ATOM 1794 O LYS A 118 0.233 -8.134 -9.948 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.736 -8.068 -7.314 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.548 -7.526 -8.478 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.419 -6.357 -8.052 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.619 -6.822 -7.241 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.685 -7.398 -8.106 1.00 0.00 N ATOM 0 H LYS A 118 0.206 -8.491 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.723 -9.726 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.355 -8.756 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.473 -7.244 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.876 -7.209 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.175 -8.319 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.828 -5.658 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.762 -5.817 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.299 -7.568 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.024 -5.981 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.617 -7.192 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.627 -6.978 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.557 -8.428 -8.175 1.00 0.00 H new ATOM 1813 N ALA A 119 1.068 -6.963 -8.218 1.00 0.00 N ATOM 1814 CA ALA A 119 1.858 -6.072 -9.059 1.00 0.00 C ATOM 1815 C ALA A 119 3.037 -6.810 -9.684 1.00 0.00 C ATOM 1816 O ALA A 119 3.586 -6.379 -10.698 1.00 0.00 O ATOM 1817 CB ALA A 119 2.347 -4.879 -8.252 1.00 0.00 C ATOM 0 H ALA A 119 1.147 -6.779 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 119 1.219 -5.713 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.935 -4.223 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.491 -4.330 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.965 -5.228 -7.425 1.00 0.00 H new