USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 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 44 SER OG : rot 88:sc= 2.04 USER MOD Set 1.2: A 49 GLN : amide:sc= 1.01 K(o=3.1,f=-5.5!) USER MOD Set 2.1: A 17 GLN : amide:sc= 0.545 K(o=3.3,f=-1.5) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -158:sc= 2.79 (180deg=0.649) USER MOD Single : A 11 THR OG1 : rot -17:sc= 0.324 USER MOD Single : A 24 SER OG : rot -130:sc= 0.61 USER MOD Single : A 27 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-7.1!) USER MOD Single : A 40 SER OG : rot -120:sc= 0.0212 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.269 K(o=-0.27,f=-5.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -3.03! C(o=-5.3!,f=-3!) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.286 F(o=-1.5,f=-0.29) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 77 HIS : no HE2:sc= -2.88 K(o=-2.9,f=-6.5!) USER MOD Single : A 84 THR OG1 : rot 39:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 1.1 (180deg=1.03) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.035 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 11.659 -7.377 1.415 1.00 0.00 N ATOM 145 CA THR A 11 11.574 -8.828 1.356 1.00 0.00 C ATOM 146 C THR A 11 10.369 -9.256 2.197 1.00 0.00 C ATOM 147 O THR A 11 9.822 -8.470 2.957 1.00 0.00 O ATOM 148 CB THR A 11 12.907 -9.478 1.786 1.00 0.00 C ATOM 149 OG1 THR A 11 13.689 -8.597 2.567 1.00 0.00 O ATOM 150 CG2 THR A 11 13.756 -9.809 0.556 1.00 0.00 C ATOM 0 HA THR A 11 11.416 -9.177 0.335 1.00 0.00 H new ATOM 0 HB THR A 11 12.644 -10.369 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.359 -7.681 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.693 -10.267 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.212 -10.502 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.968 -8.894 0.003 1.00 0.00 H new ATOM 158 N ALA A 12 9.918 -10.496 2.069 1.00 0.00 N ATOM 159 CA ALA A 12 8.649 -10.973 2.630 1.00 0.00 C ATOM 160 C ALA A 12 8.685 -11.043 4.143 1.00 0.00 C ATOM 161 O ALA A 12 7.771 -10.532 4.793 1.00 0.00 O ATOM 162 CB ALA A 12 8.303 -12.338 2.025 1.00 0.00 C ATOM 0 H ALA A 12 10.430 -11.218 1.563 1.00 0.00 H new ATOM 0 HA ALA A 12 7.871 -10.255 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.360 -12.692 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.209 -12.243 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.094 -13.051 2.259 1.00 0.00 H new ATOM 168 N ALA A 13 9.754 -11.607 4.704 1.00 0.00 N ATOM 169 CA ALA A 13 9.899 -11.591 6.153 1.00 0.00 C ATOM 170 C ALA A 13 10.085 -10.148 6.622 1.00 0.00 C ATOM 171 O ALA A 13 9.579 -9.761 7.676 1.00 0.00 O ATOM 172 CB ALA A 13 11.071 -12.471 6.583 1.00 0.00 C ATOM 0 H ALA A 13 10.509 -12.066 4.194 1.00 0.00 H new ATOM 0 HA ALA A 13 9.000 -11.997 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.165 -12.447 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.895 -13.496 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.990 -12.099 6.131 1.00 0.00 H new ATOM 178 N GLU A 14 10.750 -9.332 5.800 1.00 0.00 N ATOM 179 CA GLU A 14 11.084 -7.966 6.128 1.00 0.00 C ATOM 180 C GLU A 14 9.846 -7.087 6.045 1.00 0.00 C ATOM 181 O GLU A 14 9.783 -6.048 6.691 1.00 0.00 O ATOM 182 CB GLU A 14 12.145 -7.515 5.119 1.00 0.00 C ATOM 183 CG GLU A 14 13.187 -6.587 5.753 1.00 0.00 C ATOM 184 CD GLU A 14 14.068 -7.358 6.740 1.00 0.00 C ATOM 185 OE1 GLU A 14 15.004 -8.055 6.285 1.00 0.00 O ATOM 186 OE2 GLU A 14 13.788 -7.331 7.964 1.00 0.00 O ATOM 0 H GLU A 14 11.072 -9.618 4.875 1.00 0.00 H new ATOM 0 HA GLU A 14 11.466 -7.886 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.645 -8.390 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.660 -7.001 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.807 -6.143 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.686 -5.767 6.268 1.00 0.00 H new ATOM 193 N ILE A 15 8.854 -7.501 5.263 1.00 0.00 N ATOM 194 CA ILE A 15 7.577 -6.862 5.120 1.00 0.00 C ATOM 195 C ILE A 15 6.750 -7.224 6.321 1.00 0.00 C ATOM 196 O ILE A 15 6.305 -6.332 7.037 1.00 0.00 O ATOM 197 CB ILE A 15 6.927 -7.255 3.775 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.498 -6.266 2.757 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.388 -7.173 3.807 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.200 -6.614 1.298 1.00 0.00 C ATOM 0 H ILE A 15 8.937 -8.338 4.686 1.00 0.00 H new ATOM 0 HA ILE A 15 7.671 -5.777 5.087 1.00 0.00 H new ATOM 0 HB ILE A 15 7.149 -8.293 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.099 -5.274 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.578 -6.210 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.988 -7.460 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.003 -7.848 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.083 -6.152 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.642 -5.860 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.624 -7.590 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.121 -6.640 1.143 1.00 0.00 H new ATOM 212 N GLU A 16 6.550 -8.513 6.560 1.00 0.00 N ATOM 213 CA GLU A 16 5.753 -8.920 7.707 1.00 0.00 C ATOM 214 C GLU A 16 6.249 -8.288 8.995 1.00 0.00 C ATOM 215 O GLU A 16 5.432 -7.856 9.802 1.00 0.00 O ATOM 216 CB GLU A 16 5.796 -10.431 7.864 1.00 0.00 C ATOM 217 CG GLU A 16 4.492 -11.121 7.443 1.00 0.00 C ATOM 218 CD GLU A 16 3.339 -10.773 8.393 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.429 -11.116 9.597 1.00 0.00 O ATOM 220 OE2 GLU A 16 2.367 -10.120 7.958 1.00 0.00 O ATOM 0 H GLU A 16 6.918 -9.276 5.992 1.00 0.00 H new ATOM 0 HA GLU A 16 4.733 -8.583 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.618 -10.828 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.009 -10.676 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.232 -10.821 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.639 -12.201 7.428 1.00 0.00 H new ATOM 227 N GLN A 17 7.558 -8.292 9.227 1.00 0.00 N ATOM 228 CA GLN A 17 8.154 -7.824 10.461 1.00 0.00 C ATOM 229 C GLN A 17 8.510 -6.342 10.379 1.00 0.00 C ATOM 230 O GLN A 17 8.639 -5.674 11.408 1.00 0.00 O ATOM 231 CB GLN A 17 9.363 -8.715 10.728 1.00 0.00 C ATOM 232 CG GLN A 17 9.735 -8.813 12.202 1.00 0.00 C ATOM 233 CD GLN A 17 8.649 -9.463 13.059 1.00 0.00 C ATOM 234 OE1 GLN A 17 7.751 -10.148 12.569 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.704 -9.262 14.358 1.00 0.00 N ATOM 0 H GLN A 17 8.241 -8.627 8.547 1.00 0.00 H new ATOM 0 HA GLN A 17 7.454 -7.897 11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.158 -9.715 10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.217 -8.330 10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.657 -9.387 12.299 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.940 -7.813 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.452 -8.693 14.755 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.999 -9.675 14.968 1.00 0.00 H new ATOM 244 N GLY A 18 8.612 -5.799 9.169 1.00 0.00 N ATOM 245 CA GLY A 18 8.753 -4.385 8.928 1.00 0.00 C ATOM 246 C GLY A 18 7.465 -3.678 9.250 1.00 0.00 C ATOM 247 O GLY A 18 7.500 -2.567 9.781 1.00 0.00 O ATOM 0 H GLY A 18 8.597 -6.354 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.561 -3.982 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.023 -4.210 7.887 1.00 0.00 H new ATOM 251 N PHE A 19 6.325 -4.306 8.934 1.00 0.00 N ATOM 252 CA PHE A 19 5.079 -3.558 8.901 1.00 0.00 C ATOM 253 C PHE A 19 4.079 -4.145 9.886 1.00 0.00 C ATOM 254 O PHE A 19 2.911 -3.772 9.881 1.00 0.00 O ATOM 255 CB PHE A 19 4.668 -3.401 7.434 1.00 0.00 C ATOM 256 CG PHE A 19 5.773 -2.695 6.648 1.00 0.00 C ATOM 257 CD1 PHE A 19 6.150 -1.366 6.927 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.563 -3.436 5.760 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.286 -0.800 6.321 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.709 -2.885 5.161 1.00 0.00 C ATOM 261 CZ PHE A 19 8.074 -1.562 5.445 1.00 0.00 C ATOM 0 H PHE A 19 6.247 -5.297 8.706 1.00 0.00 H new ATOM 0 HA PHE A 19 5.167 -2.536 9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.470 -4.380 6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.742 -2.829 7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.560 -0.776 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.285 -4.454 5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.553 0.225 6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.306 -3.479 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.956 -1.132 4.993 1.00 0.00 H new ATOM 271 N LYS A 20 4.573 -4.982 10.807 1.00 0.00 N ATOM 272 CA LYS A 20 3.840 -5.576 11.927 1.00 0.00 C ATOM 273 C LYS A 20 3.205 -4.569 12.907 1.00 0.00 C ATOM 274 O LYS A 20 2.522 -4.982 13.846 1.00 0.00 O ATOM 275 CB LYS A 20 4.756 -6.599 12.640 1.00 0.00 C ATOM 276 CG LYS A 20 3.930 -7.760 13.211 1.00 0.00 C ATOM 277 CD LYS A 20 4.789 -8.936 13.698 1.00 0.00 C ATOM 278 CE LYS A 20 4.554 -10.191 12.846 1.00 0.00 C ATOM 279 NZ LYS A 20 5.140 -10.113 11.497 1.00 0.00 N ATOM 0 H LYS A 20 5.549 -5.278 10.788 1.00 0.00 H new ATOM 0 HA LYS A 20 2.972 -6.083 11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.496 -6.983 11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.304 -6.106 13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.325 -7.393 14.040 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.240 -8.116 12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.843 -8.660 13.659 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.555 -9.153 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.972 -11.054 13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.481 -10.362 12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.654 -10.783 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.030 -9.148 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.151 -10.353 11.543 1.00 0.00 H new ATOM 293 N ASP A 21 3.358 -3.259 12.693 1.00 0.00 N ATOM 294 CA ASP A 21 2.722 -2.228 13.527 1.00 0.00 C ATOM 295 C ASP A 21 1.247 -2.044 13.153 1.00 0.00 C ATOM 296 O ASP A 21 0.446 -1.542 13.948 1.00 0.00 O ATOM 297 CB ASP A 21 3.428 -0.877 13.348 1.00 0.00 C ATOM 298 CG ASP A 21 2.992 0.109 14.433 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.451 -0.051 15.590 1.00 0.00 O ATOM 300 OD2 ASP A 21 2.182 1.032 14.172 1.00 0.00 O ATOM 0 H ASP A 21 3.927 -2.880 11.936 1.00 0.00 H new ATOM 0 HA ASP A 21 2.800 -2.562 14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.508 -1.017 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.198 -0.468 12.364 1.00 0.00 H new ATOM 305 N VAL A 22 0.876 -2.457 11.945 1.00 0.00 N ATOM 306 CA VAL A 22 -0.471 -2.420 11.389 1.00 0.00 C ATOM 307 C VAL A 22 -0.754 -3.852 10.905 1.00 0.00 C ATOM 308 O VAL A 22 0.193 -4.625 10.739 1.00 0.00 O ATOM 309 CB VAL A 22 -0.544 -1.350 10.265 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.707 -0.358 10.446 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.718 -0.468 10.170 1.00 0.00 C ATOM 0 H VAL A 22 1.550 -2.851 11.288 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.233 -2.126 12.111 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.670 -1.957 9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.701 0.362 9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.652 -0.901 10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.592 0.168 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.596 0.256 9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.865 0.060 11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.586 -1.095 9.966 1.00 0.00 H new ATOM 321 N PRO A 23 -2.012 -4.270 10.708 1.00 0.00 N ATOM 322 CA PRO A 23 -2.296 -5.635 10.313 1.00 0.00 C ATOM 323 C PRO A 23 -2.079 -5.798 8.807 1.00 0.00 C ATOM 324 O PRO A 23 -1.833 -4.833 8.069 1.00 0.00 O ATOM 325 CB PRO A 23 -3.753 -5.856 10.715 1.00 0.00 C ATOM 326 CG PRO A 23 -4.361 -4.493 10.416 1.00 0.00 C ATOM 327 CD PRO A 23 -3.246 -3.510 10.764 1.00 0.00 C ATOM 0 HA PRO A 23 -1.643 -6.367 10.788 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.222 -6.651 10.135 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.852 -6.128 11.766 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.657 -4.408 9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.254 -4.313 11.015 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.225 -2.679 10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.397 -3.084 11.756 1.00 0.00 H new ATOM 335 N SER A 24 -2.251 -7.033 8.355 1.00 0.00 N ATOM 336 CA SER A 24 -2.248 -7.393 6.955 1.00 0.00 C ATOM 337 C SER A 24 -3.639 -7.840 6.509 1.00 0.00 C ATOM 338 O SER A 24 -4.514 -8.151 7.328 1.00 0.00 O ATOM 339 CB SER A 24 -1.186 -8.470 6.676 1.00 0.00 C ATOM 340 OG SER A 24 -1.318 -9.608 7.505 1.00 0.00 O ATOM 0 H SER A 24 -2.400 -7.830 8.974 1.00 0.00 H new ATOM 0 HA SER A 24 -1.985 -6.512 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.255 -8.778 5.633 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.195 -8.039 6.816 1.00 0.00 H new ATOM 0 HG SER A 24 -0.450 -9.822 7.907 1.00 0.00 H new ATOM 346 N PHE A 25 -3.821 -7.906 5.197 1.00 0.00 N ATOM 347 CA PHE A 25 -4.939 -8.493 4.486 1.00 0.00 C ATOM 348 C PHE A 25 -4.356 -9.418 3.429 1.00 0.00 C ATOM 349 O PHE A 25 -3.218 -9.215 3.009 1.00 0.00 O ATOM 350 CB PHE A 25 -5.701 -7.351 3.829 1.00 0.00 C ATOM 351 CG PHE A 25 -6.662 -7.747 2.731 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.928 -8.266 3.048 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.276 -7.608 1.382 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.808 -8.626 2.018 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.167 -7.949 0.355 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.435 -8.460 0.676 1.00 0.00 C ATOM 0 H PHE A 25 -3.131 -7.517 4.554 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.609 -9.054 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.259 -6.820 4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.978 -6.647 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.222 -8.387 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.291 -7.238 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.779 -9.033 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.880 -7.819 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.124 -8.726 -0.112 1.00 0.00 H new ATOM 366 N VAL A 26 -5.136 -10.386 2.962 1.00 0.00 N ATOM 367 CA VAL A 26 -4.747 -11.343 1.953 1.00 0.00 C ATOM 368 C VAL A 26 -5.901 -11.453 0.966 1.00 0.00 C ATOM 369 O VAL A 26 -7.047 -11.542 1.421 1.00 0.00 O ATOM 370 CB VAL A 26 -4.350 -12.669 2.630 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.528 -13.535 3.078 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.420 -13.520 1.755 1.00 0.00 C ATOM 0 H VAL A 26 -6.091 -10.524 3.293 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.865 -11.034 1.392 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.822 -12.343 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.153 -14.447 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.133 -12.983 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.139 -13.794 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.171 -14.443 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.921 -13.759 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.506 -12.963 1.547 1.00 0.00 H new ATOM 382 N HIS A 27 -5.646 -11.469 -0.345 1.00 0.00 N ATOM 383 CA HIS A 27 -6.666 -11.917 -1.291 1.00 0.00 C ATOM 384 C HIS A 27 -6.155 -13.001 -2.230 1.00 0.00 C ATOM 385 O HIS A 27 -5.048 -13.503 -2.073 1.00 0.00 O ATOM 386 CB HIS A 27 -7.275 -10.726 -2.017 1.00 0.00 C ATOM 387 CG HIS A 27 -6.307 -9.890 -2.798 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.688 -8.865 -3.618 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.936 -9.955 -2.813 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.564 -8.315 -4.082 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.480 -8.926 -3.615 1.00 0.00 N ATOM 0 H HIS A 27 -4.762 -11.184 -0.767 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.467 -12.394 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.046 -11.091 -2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.771 -10.089 -1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.325 -10.678 -2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.538 -7.473 -4.757 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.508 -8.684 -3.809 1.00 0.00 H new ATOM 399 N GLU A 28 -6.969 -13.362 -3.216 1.00 0.00 N ATOM 400 CA GLU A 28 -6.847 -14.578 -4.017 1.00 0.00 C ATOM 401 C GLU A 28 -5.781 -14.496 -5.116 1.00 0.00 C ATOM 402 O GLU A 28 -5.652 -15.412 -5.931 1.00 0.00 O ATOM 403 CB GLU A 28 -8.228 -14.904 -4.619 1.00 0.00 C ATOM 404 CG GLU A 28 -8.532 -16.407 -4.636 1.00 0.00 C ATOM 405 CD GLU A 28 -9.370 -16.831 -3.427 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.616 -16.666 -3.467 1.00 0.00 O ATOM 407 OE2 GLU A 28 -8.808 -17.396 -2.457 1.00 0.00 O ATOM 0 H GLU A 28 -7.768 -12.791 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.511 -15.376 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.999 -14.389 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.275 -14.517 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.063 -16.660 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.597 -16.967 -4.645 1.00 0.00 H new ATOM 414 N GLY A 29 -5.010 -13.411 -5.126 1.00 0.00 N ATOM 415 CA GLY A 29 -4.081 -13.053 -6.191 1.00 0.00 C ATOM 416 C GLY A 29 -4.826 -12.668 -7.471 1.00 0.00 C ATOM 417 O GLY A 29 -6.055 -12.560 -7.458 1.00 0.00 O ATOM 0 H GLY A 29 -5.017 -12.733 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.456 -12.221 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.415 -13.892 -6.393 1.00 0.00 H new ATOM 421 N GLY A 30 -4.079 -12.458 -8.558 1.00 0.00 N ATOM 422 CA GLY A 30 -4.618 -11.994 -9.832 1.00 0.00 C ATOM 423 C GLY A 30 -4.807 -10.484 -9.779 1.00 0.00 C ATOM 424 O GLY A 30 -5.248 -9.960 -8.758 1.00 0.00 O ATOM 0 H GLY A 30 -3.070 -12.608 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.941 -12.259 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.570 -12.484 -10.037 1.00 0.00 H new ATOM 428 N ASP A 31 -4.407 -9.773 -10.839 1.00 0.00 N ATOM 429 CA ASP A 31 -4.291 -8.314 -10.816 1.00 0.00 C ATOM 430 C ASP A 31 -5.566 -7.632 -10.350 1.00 0.00 C ATOM 431 O ASP A 31 -6.664 -7.987 -10.786 1.00 0.00 O ATOM 432 CB ASP A 31 -3.818 -7.711 -12.129 1.00 0.00 C ATOM 433 CG ASP A 31 -4.889 -7.671 -13.225 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.030 -8.654 -13.991 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.637 -6.668 -13.326 1.00 0.00 O ATOM 0 H ASP A 31 -4.156 -10.193 -11.734 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.511 -8.120 -10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.466 -6.696 -11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.964 -8.283 -12.492 1.00 0.00 H new ATOM 440 N VAL A 32 -5.413 -6.656 -9.459 1.00 0.00 N ATOM 441 CA VAL A 32 -6.498 -6.076 -8.678 1.00 0.00 C ATOM 442 C VAL A 32 -5.991 -4.707 -8.273 1.00 0.00 C ATOM 443 O VAL A 32 -4.855 -4.602 -7.819 1.00 0.00 O ATOM 444 CB VAL A 32 -6.802 -6.952 -7.460 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.422 -6.213 -6.255 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.728 -8.145 -7.742 1.00 0.00 C ATOM 0 H VAL A 32 -4.506 -6.236 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.431 -6.005 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.797 -7.294 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.599 -6.921 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.738 -5.436 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.367 -5.760 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.887 -8.708 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.686 -7.782 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.269 -8.793 -8.489 1.00 0.00 H new ATOM 456 N PRO A 33 -6.788 -3.658 -8.456 1.00 0.00 N ATOM 457 CA PRO A 33 -6.317 -2.304 -8.361 1.00 0.00 C ATOM 458 C PRO A 33 -6.086 -1.900 -6.923 1.00 0.00 C ATOM 459 O PRO A 33 -6.793 -2.324 -6.002 1.00 0.00 O ATOM 460 CB PRO A 33 -7.370 -1.464 -9.084 1.00 0.00 C ATOM 461 CG PRO A 33 -8.650 -2.254 -8.823 1.00 0.00 C ATOM 462 CD PRO A 33 -8.180 -3.710 -8.823 1.00 0.00 C ATOM 0 HA PRO A 33 -5.342 -2.162 -8.827 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.428 -0.452 -8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.157 -1.374 -10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.104 -1.979 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.397 -2.074 -9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.752 -4.308 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.312 -4.166 -9.804 1.00 0.00 H new ATOM 470 N LEU A 34 -5.131 -0.980 -6.769 1.00 0.00 N ATOM 471 CA LEU A 34 -4.813 -0.348 -5.507 1.00 0.00 C ATOM 472 C LEU A 34 -6.089 0.066 -4.742 1.00 0.00 C ATOM 473 O LEU A 34 -6.235 -0.206 -3.550 1.00 0.00 O ATOM 474 CB LEU A 34 -3.692 0.702 -5.639 1.00 0.00 C ATOM 475 CG LEU A 34 -3.538 1.687 -6.823 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.760 1.953 -7.716 1.00 0.00 C ATOM 477 CD2 LEU A 34 -2.843 3.003 -6.462 1.00 0.00 C ATOM 0 H LEU A 34 -4.550 -0.653 -7.541 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.356 -1.082 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.751 1.318 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.754 0.149 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.876 1.092 -7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.491 2.663 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.088 1.019 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.568 2.366 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.776 3.634 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.417 3.518 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.840 2.794 -6.089 1.00 0.00 H new ATOM 489 N VAL A 35 -7.068 0.617 -5.456 1.00 0.00 N ATOM 490 CA VAL A 35 -8.316 1.180 -4.946 1.00 0.00 C ATOM 491 C VAL A 35 -9.400 0.164 -4.609 1.00 0.00 C ATOM 492 O VAL A 35 -10.407 0.553 -4.012 1.00 0.00 O ATOM 493 CB VAL A 35 -8.755 2.235 -5.972 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.551 1.680 -7.160 1.00 0.00 C ATOM 495 CG2 VAL A 35 -9.487 3.385 -5.302 1.00 0.00 C ATOM 0 H VAL A 35 -7.007 0.687 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.140 1.629 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.829 2.613 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.818 2.496 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.943 0.952 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.458 1.197 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.785 4.115 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.374 3.005 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.829 3.861 -4.575 1.00 0.00 H new ATOM 505 N GLU A 36 -9.185 -1.115 -4.902 1.00 0.00 N ATOM 506 CA GLU A 36 -10.003 -2.180 -4.358 1.00 0.00 C ATOM 507 C GLU A 36 -9.223 -2.905 -3.269 1.00 0.00 C ATOM 508 O GLU A 36 -9.818 -3.234 -2.246 1.00 0.00 O ATOM 509 CB GLU A 36 -10.480 -3.133 -5.462 1.00 0.00 C ATOM 510 CG GLU A 36 -11.481 -2.474 -6.430 1.00 0.00 C ATOM 511 CD GLU A 36 -12.712 -1.884 -5.729 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.341 -2.595 -4.914 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.071 -0.708 -5.986 1.00 0.00 O ATOM 0 H GLU A 36 -8.441 -1.436 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.902 -1.755 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.618 -3.489 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.945 -4.007 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.973 -1.683 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.808 -3.214 -7.161 1.00 0.00 H new ATOM 520 N LEU A 37 -7.896 -3.083 -3.373 1.00 0.00 N ATOM 521 CA LEU A 37 -7.199 -3.868 -2.369 1.00 0.00 C ATOM 522 C LEU A 37 -7.049 -3.048 -1.110 1.00 0.00 C ATOM 523 O LEU A 37 -6.953 -3.647 -0.052 1.00 0.00 O ATOM 524 CB LEU A 37 -5.891 -4.494 -2.878 1.00 0.00 C ATOM 525 CG LEU A 37 -4.778 -3.552 -3.369 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.046 -2.808 -2.243 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.765 -4.384 -4.158 1.00 0.00 C ATOM 0 H LEU A 37 -7.311 -2.705 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.806 -4.740 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.480 -5.105 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.141 -5.169 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.252 -2.785 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.277 -2.165 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.758 -2.200 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.582 -3.530 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.964 -3.737 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.346 -5.155 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.262 -4.853 -5.007 1.00 0.00 H new ATOM 539 N LEU A 38 -7.130 -1.712 -1.160 1.00 0.00 N ATOM 540 CA LEU A 38 -7.131 -0.910 0.030 1.00 0.00 C ATOM 541 C LEU A 38 -8.508 -0.949 0.694 1.00 0.00 C ATOM 542 O LEU A 38 -8.621 -0.758 1.900 1.00 0.00 O ATOM 543 CB LEU A 38 -6.649 0.526 -0.261 1.00 0.00 C ATOM 544 CG LEU A 38 -7.732 1.628 -0.195 1.00 0.00 C ATOM 545 CD1 LEU A 38 -7.099 3.005 -0.034 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.724 1.557 -1.359 1.00 0.00 C ATOM 0 H LEU A 38 -7.195 -1.178 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.418 -1.331 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.861 0.775 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.200 0.544 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.330 1.443 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.882 3.762 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.516 3.032 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.446 3.207 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.460 2.355 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.188 1.674 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.231 0.592 -1.347 1.00 0.00 H new ATOM 558 N VAL A 39 -9.562 -1.106 -0.099 1.00 0.00 N ATOM 559 CA VAL A 39 -10.956 -1.040 0.320 1.00 0.00 C ATOM 560 C VAL A 39 -11.243 -2.330 1.071 1.00 0.00 C ATOM 561 O VAL A 39 -11.729 -2.312 2.202 1.00 0.00 O ATOM 562 CB VAL A 39 -11.808 -0.788 -0.955 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.731 -1.914 -1.460 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.720 0.433 -0.814 1.00 0.00 C ATOM 0 H VAL A 39 -9.463 -1.291 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.200 -0.226 1.003 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.004 -0.670 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.255 -1.581 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.134 -2.795 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.457 -2.163 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.294 0.566 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.402 0.283 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.114 1.321 -0.633 1.00 0.00 H new ATOM 574 N SER A 40 -10.832 -3.430 0.451 1.00 0.00 N ATOM 575 CA SER A 40 -10.807 -4.767 0.995 1.00 0.00 C ATOM 576 C SER A 40 -9.881 -4.806 2.207 1.00 0.00 C ATOM 577 O SER A 40 -10.292 -5.301 3.260 1.00 0.00 O ATOM 578 CB SER A 40 -10.363 -5.763 -0.087 1.00 0.00 C ATOM 579 OG SER A 40 -11.309 -6.798 -0.231 1.00 0.00 O ATOM 0 H SER A 40 -10.486 -3.401 -0.508 1.00 0.00 H new ATOM 0 HA SER A 40 -11.807 -5.054 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.238 -5.243 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.393 -6.185 0.176 1.00 0.00 H new ATOM 0 HG SER A 40 -10.883 -7.659 -0.038 1.00 0.00 H new ATOM 585 N ALA A 41 -8.664 -4.247 2.099 1.00 0.00 N ATOM 586 CA ALA A 41 -7.729 -4.353 3.215 1.00 0.00 C ATOM 587 C ALA A 41 -8.040 -3.352 4.333 1.00 0.00 C ATOM 588 O ALA A 41 -7.492 -3.479 5.428 1.00 0.00 O ATOM 589 CB ALA A 41 -6.286 -4.254 2.725 1.00 0.00 C ATOM 0 H ALA A 41 -8.321 -3.739 1.284 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.856 -5.340 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.607 -4.336 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.085 -5.061 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.135 -3.295 2.230 1.00 0.00 H new ATOM 595 N GLY A 42 -8.930 -2.383 4.108 1.00 0.00 N ATOM 596 CA GLY A 42 -9.496 -1.574 5.178 1.00 0.00 C ATOM 597 C GLY A 42 -8.581 -0.408 5.525 1.00 0.00 C ATOM 598 O GLY A 42 -8.527 0.033 6.674 1.00 0.00 O ATOM 0 H GLY A 42 -9.275 -2.141 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.473 -1.196 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.653 -2.192 6.062 1.00 0.00 H new ATOM 602 N ILE A 43 -7.909 0.107 4.503 1.00 0.00 N ATOM 603 CA ILE A 43 -7.088 1.300 4.507 1.00 0.00 C ATOM 604 C ILE A 43 -8.106 2.439 4.433 1.00 0.00 C ATOM 605 O ILE A 43 -8.092 3.321 5.294 1.00 0.00 O ATOM 606 CB ILE A 43 -6.160 1.262 3.265 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.007 0.225 3.245 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.489 2.629 3.000 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.380 -1.178 3.696 1.00 0.00 C ATOM 0 H ILE A 43 -7.929 -0.335 3.584 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.440 1.406 5.377 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.878 0.964 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.610 0.168 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.202 0.591 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.848 2.556 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.256 3.384 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.888 2.913 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.502 -1.822 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.745 -1.145 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.160 -1.574 3.046 1.00 0.00 H new ATOM 621 N SER A 44 -9.034 2.386 3.466 1.00 0.00 N ATOM 622 CA SER A 44 -10.186 3.267 3.412 1.00 0.00 C ATOM 623 C SER A 44 -11.291 2.504 2.695 1.00 0.00 C ATOM 624 O SER A 44 -11.170 2.320 1.491 1.00 0.00 O ATOM 625 CB SER A 44 -9.852 4.555 2.661 1.00 0.00 C ATOM 626 OG SER A 44 -9.417 5.564 3.546 1.00 0.00 O ATOM 0 H SER A 44 -8.995 1.719 2.696 1.00 0.00 H new ATOM 0 HA SER A 44 -10.497 3.555 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.076 4.357 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.731 4.900 2.116 1.00 0.00 H new ATOM 0 HG SER A 44 -8.448 5.490 3.676 1.00 0.00 H new ATOM 632 N PRO A 45 -12.329 2.009 3.389 1.00 0.00 N ATOM 633 CA PRO A 45 -13.397 1.232 2.768 1.00 0.00 C ATOM 634 C PRO A 45 -14.506 2.096 2.145 1.00 0.00 C ATOM 635 O PRO A 45 -15.376 1.582 1.445 1.00 0.00 O ATOM 636 CB PRO A 45 -13.951 0.397 3.920 1.00 0.00 C ATOM 637 CG PRO A 45 -13.820 1.338 5.114 1.00 0.00 C ATOM 638 CD PRO A 45 -12.489 2.025 4.837 1.00 0.00 C ATOM 0 HA PRO A 45 -13.018 0.642 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.987 0.106 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.382 -0.521 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.643 2.050 5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.810 0.797 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.489 3.046 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.669 1.501 5.327 1.00 0.00 H new ATOM 646 N SER A 46 -14.539 3.394 2.439 1.00 0.00 N ATOM 647 CA SER A 46 -15.558 4.316 1.958 1.00 0.00 C ATOM 648 C SER A 46 -15.079 4.835 0.607 1.00 0.00 C ATOM 649 O SER A 46 -14.034 5.478 0.571 1.00 0.00 O ATOM 650 CB SER A 46 -15.741 5.420 2.996 1.00 0.00 C ATOM 651 OG SER A 46 -16.614 6.456 2.581 1.00 0.00 O ATOM 0 H SER A 46 -13.840 3.841 3.032 1.00 0.00 H new ATOM 0 HA SER A 46 -16.533 3.847 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.126 4.980 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.767 5.850 3.231 1.00 0.00 H new ATOM 0 HG SER A 46 -16.687 7.127 3.292 1.00 0.00 H new ATOM 657 N LYS A 47 -15.776 4.554 -0.498 1.00 0.00 N ATOM 658 CA LYS A 47 -15.243 4.732 -1.857 1.00 0.00 C ATOM 659 C LYS A 47 -14.652 6.114 -2.163 1.00 0.00 C ATOM 660 O LYS A 47 -13.664 6.171 -2.890 1.00 0.00 O ATOM 661 CB LYS A 47 -16.290 4.322 -2.908 1.00 0.00 C ATOM 662 CG LYS A 47 -16.313 2.795 -3.076 1.00 0.00 C ATOM 663 CD LYS A 47 -17.403 2.326 -4.052 1.00 0.00 C ATOM 664 CE LYS A 47 -17.211 0.849 -4.417 1.00 0.00 C ATOM 665 NZ LYS A 47 -17.607 -0.105 -3.361 1.00 0.00 N ATOM 0 H LYS A 47 -16.730 4.195 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.385 4.062 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.276 4.676 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.061 4.796 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.340 2.458 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.475 2.328 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.386 2.469 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.374 2.935 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.787 0.633 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.162 0.683 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.444 -1.077 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.041 0.069 -2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.615 0.021 -3.140 1.00 0.00 H new ATOM 679 N ARG A 48 -15.181 7.225 -1.627 1.00 0.00 N ATOM 680 CA ARG A 48 -14.516 8.531 -1.795 1.00 0.00 C ATOM 681 C ARG A 48 -13.151 8.483 -1.124 1.00 0.00 C ATOM 682 O ARG A 48 -12.142 8.794 -1.753 1.00 0.00 O ATOM 683 CB ARG A 48 -15.377 9.689 -1.247 1.00 0.00 C ATOM 684 CG ARG A 48 -14.871 11.114 -1.588 1.00 0.00 C ATOM 685 CD ARG A 48 -13.603 11.642 -0.882 1.00 0.00 C ATOM 686 NE ARG A 48 -13.689 11.588 0.591 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.651 11.757 1.424 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.446 12.083 0.983 1.00 0.00 N ATOM 689 NH2 ARG A 48 -12.815 11.574 2.726 1.00 0.00 N ATOM 0 H ARG A 48 -16.045 7.250 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.385 8.726 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.390 9.580 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.437 9.593 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.691 11.152 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.681 11.811 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.743 11.058 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.426 12.672 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.604 11.409 1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.286 12.213 -0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.677 12.204 1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.728 11.305 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.028 11.702 3.362 1.00 0.00 H new ATOM 703 N GLN A 49 -13.136 8.120 0.161 1.00 0.00 N ATOM 704 CA GLN A 49 -11.930 8.051 0.952 1.00 0.00 C ATOM 705 C GLN A 49 -10.959 7.104 0.268 1.00 0.00 C ATOM 706 O GLN A 49 -9.834 7.512 0.070 1.00 0.00 O ATOM 707 CB GLN A 49 -12.269 7.579 2.383 1.00 0.00 C ATOM 708 CG GLN A 49 -11.930 8.513 3.552 1.00 0.00 C ATOM 709 CD GLN A 49 -10.562 9.199 3.474 1.00 0.00 C ATOM 710 OE1 GLN A 49 -10.469 10.425 3.550 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.492 8.441 3.367 1.00 0.00 N ATOM 0 H GLN A 49 -13.978 7.865 0.677 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.466 9.034 1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.338 7.372 2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.755 6.633 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.700 9.282 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.977 7.939 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.589 7.428 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.565 8.867 3.346 1.00 0.00 H new ATOM 720 N ALA A 50 -11.392 5.907 -0.141 1.00 0.00 N ATOM 721 CA ALA A 50 -10.604 4.937 -0.888 1.00 0.00 C ATOM 722 C ALA A 50 -9.904 5.592 -2.066 1.00 0.00 C ATOM 723 O ALA A 50 -8.681 5.541 -2.185 1.00 0.00 O ATOM 724 CB ALA A 50 -11.522 3.822 -1.401 1.00 0.00 C ATOM 0 H ALA A 50 -12.339 5.580 0.050 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.846 4.524 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.934 3.095 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.001 3.328 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.285 4.249 -2.052 1.00 0.00 H new ATOM 730 N ARG A 51 -10.695 6.190 -2.954 1.00 0.00 N ATOM 731 CA ARG A 51 -10.171 6.676 -4.210 1.00 0.00 C ATOM 732 C ARG A 51 -9.226 7.838 -3.980 1.00 0.00 C ATOM 733 O ARG A 51 -8.270 7.942 -4.735 1.00 0.00 O ATOM 734 CB ARG A 51 -11.327 6.952 -5.195 1.00 0.00 C ATOM 735 CG ARG A 51 -11.934 5.612 -5.667 1.00 0.00 C ATOM 736 CD ARG A 51 -13.343 5.660 -6.255 1.00 0.00 C ATOM 737 NE ARG A 51 -13.795 4.293 -6.601 1.00 0.00 N ATOM 738 CZ ARG A 51 -14.749 3.958 -7.478 1.00 0.00 C ATOM 739 NH1 ARG A 51 -15.464 4.901 -8.094 1.00 0.00 N ATOM 740 NH2 ARG A 51 -14.998 2.684 -7.734 1.00 0.00 N ATOM 0 H ARG A 51 -11.694 6.345 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.559 5.912 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.092 7.560 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.962 7.519 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.268 5.183 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.943 4.927 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.030 6.108 -5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.354 6.291 -7.144 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.329 3.524 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.285 5.886 -7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.189 4.637 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.463 1.955 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.725 2.431 -8.403 1.00 0.00 H new ATOM 754 N GLU A 52 -9.373 8.624 -2.912 1.00 0.00 N ATOM 755 CA GLU A 52 -8.365 9.634 -2.607 1.00 0.00 C ATOM 756 C GLU A 52 -7.182 9.055 -1.843 1.00 0.00 C ATOM 757 O GLU A 52 -6.048 9.476 -2.065 1.00 0.00 O ATOM 758 CB GLU A 52 -9.029 10.755 -1.815 1.00 0.00 C ATOM 759 CG GLU A 52 -8.094 11.906 -1.406 1.00 0.00 C ATOM 760 CD GLU A 52 -8.874 12.782 -0.423 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.914 13.344 -0.834 1.00 0.00 O ATOM 762 OE2 GLU A 52 -8.578 12.738 0.796 1.00 0.00 O ATOM 0 H GLU A 52 -10.158 8.583 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.963 10.022 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.846 11.165 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.472 10.330 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.186 11.520 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.787 12.483 -2.278 1.00 0.00 H new ATOM 769 N ASP A 53 -7.405 8.072 -0.976 1.00 0.00 N ATOM 770 CA ASP A 53 -6.360 7.359 -0.281 1.00 0.00 C ATOM 771 C ASP A 53 -5.506 6.583 -1.260 1.00 0.00 C ATOM 772 O ASP A 53 -4.392 6.220 -0.890 1.00 0.00 O ATOM 773 CB ASP A 53 -6.943 6.403 0.770 1.00 0.00 C ATOM 774 CG ASP A 53 -6.869 6.891 2.215 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.739 8.110 2.464 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.939 6.029 3.122 1.00 0.00 O ATOM 0 H ASP A 53 -8.342 7.748 -0.738 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.740 8.096 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.987 6.212 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.419 5.450 0.699 1.00 0.00 H new ATOM 781 N ILE A 54 -6.002 6.376 -2.483 1.00 0.00 N ATOM 782 CA ILE A 54 -5.228 5.912 -3.595 1.00 0.00 C ATOM 783 C ILE A 54 -4.675 7.053 -4.403 1.00 0.00 C ATOM 784 O ILE A 54 -3.481 7.028 -4.612 1.00 0.00 O ATOM 785 CB ILE A 54 -5.970 4.845 -4.436 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.252 3.511 -4.206 1.00 0.00 C ATOM 787 CG2 ILE A 54 -6.075 5.129 -5.952 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.552 2.940 -2.836 1.00 0.00 C ATOM 0 H ILE A 54 -6.982 6.537 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.361 5.389 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.006 4.842 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.556 2.798 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.177 3.654 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.614 4.316 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.611 6.065 -6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.075 5.207 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.024 1.994 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.223 3.642 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.625 2.772 -2.739 1.00 0.00 H new ATOM 800 N GLN A 55 -5.475 8.011 -4.874 1.00 0.00 N ATOM 801 CA GLN A 55 -5.013 9.025 -5.809 1.00 0.00 C ATOM 802 C GLN A 55 -4.084 10.031 -5.148 1.00 0.00 C ATOM 803 O GLN A 55 -3.538 10.903 -5.824 1.00 0.00 O ATOM 804 CB GLN A 55 -6.207 9.711 -6.477 1.00 0.00 C ATOM 805 CG GLN A 55 -6.779 8.788 -7.554 1.00 0.00 C ATOM 806 CD GLN A 55 -8.008 9.401 -8.216 1.00 0.00 C ATOM 807 OE1 GLN A 55 -9.126 9.313 -7.718 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.829 10.055 -9.351 1.00 0.00 N ATOM 0 H GLN A 55 -6.458 8.101 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.426 8.528 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.971 9.941 -5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.897 10.658 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.017 8.591 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.043 7.828 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.896 10.124 -9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.623 10.491 -9.819 1.00 0.00 H new ATOM 817 N ASN A 56 -3.887 9.948 -3.831 1.00 0.00 N ATOM 818 CA ASN A 56 -2.923 10.788 -3.176 1.00 0.00 C ATOM 819 C ASN A 56 -1.521 10.270 -3.317 1.00 0.00 C ATOM 820 O ASN A 56 -1.215 9.142 -2.956 1.00 0.00 O ATOM 821 CB ASN A 56 -3.238 10.980 -1.679 1.00 0.00 C ATOM 822 CG ASN A 56 -4.244 12.081 -1.356 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.311 12.530 -0.215 1.00 0.00 O ATOM 824 ND2 ASN A 56 -5.017 12.554 -2.318 1.00 0.00 N ATOM 0 H ASN A 56 -4.386 9.307 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.993 11.752 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.616 10.038 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.307 11.197 -1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.681 13.302 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.950 12.171 -3.261 1.00 0.00 H new ATOM 831 N GLY A 57 -0.605 11.191 -3.603 1.00 0.00 N ATOM 832 CA GLY A 57 0.827 10.972 -3.540 1.00 0.00 C ATOM 833 C GLY A 57 1.337 10.910 -2.102 1.00 0.00 C ATOM 834 O GLY A 57 2.436 11.363 -1.794 1.00 0.00 O ATOM 0 H GLY A 57 -0.852 12.137 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.074 10.042 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.339 11.774 -4.071 1.00 0.00 H new ATOM 838 N ALA A 58 0.508 10.375 -1.219 1.00 0.00 N ATOM 839 CA ALA A 58 0.819 9.980 0.129 1.00 0.00 C ATOM 840 C ALA A 58 0.537 8.496 0.357 1.00 0.00 C ATOM 841 O ALA A 58 0.713 8.054 1.488 1.00 0.00 O ATOM 842 CB ALA A 58 0.055 10.864 1.098 1.00 0.00 C ATOM 0 H ALA A 58 -0.469 10.196 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 58 1.886 10.115 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.288 10.568 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.343 11.904 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.015 10.755 0.923 1.00 0.00 H new ATOM 848 N ILE A 59 0.067 7.727 -0.633 1.00 0.00 N ATOM 849 CA ILE A 59 0.114 6.273 -0.578 1.00 0.00 C ATOM 850 C ILE A 59 1.433 5.871 -1.253 1.00 0.00 C ATOM 851 O ILE A 59 1.625 5.904 -2.473 1.00 0.00 O ATOM 852 CB ILE A 59 -1.234 5.710 -1.031 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.366 4.203 -0.905 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.694 6.214 -2.398 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.455 3.465 -1.862 1.00 0.00 C ATOM 0 H ILE A 59 -0.352 8.098 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 59 0.183 5.805 0.404 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.930 6.126 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.134 3.904 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.400 3.914 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.657 5.768 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.793 7.299 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.960 5.935 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.586 2.391 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.704 3.741 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.582 3.731 -1.656 1.00 0.00 H new ATOM 867 N TYR A 60 2.407 5.614 -0.385 1.00 0.00 N ATOM 868 CA TYR A 60 3.719 5.111 -0.700 1.00 0.00 C ATOM 869 C TYR A 60 3.663 3.590 -0.693 1.00 0.00 C ATOM 870 O TYR A 60 3.583 2.979 0.375 1.00 0.00 O ATOM 871 CB TYR A 60 4.736 5.661 0.304 1.00 0.00 C ATOM 872 CG TYR A 60 4.802 7.170 0.428 1.00 0.00 C ATOM 873 CD1 TYR A 60 3.915 7.834 1.295 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.769 7.909 -0.280 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.979 9.223 1.452 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.839 9.306 -0.132 1.00 0.00 C ATOM 877 CZ TYR A 60 4.931 9.963 0.726 1.00 0.00 C ATOM 878 OH TYR A 60 4.957 11.307 0.896 1.00 0.00 O ATOM 0 H TYR A 60 2.283 5.764 0.616 1.00 0.00 H new ATOM 0 HA TYR A 60 4.038 5.438 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.508 5.246 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.725 5.296 0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.178 7.267 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.459 7.402 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.301 9.725 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.583 9.873 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 60 5.662 11.694 0.336 1.00 0.00 H new ATOM 888 N VAL A 61 3.677 2.965 -1.865 1.00 0.00 N ATOM 889 CA VAL A 61 3.738 1.519 -1.981 1.00 0.00 C ATOM 890 C VAL A 61 5.190 1.123 -1.994 1.00 0.00 C ATOM 891 O VAL A 61 5.972 1.692 -2.752 1.00 0.00 O ATOM 892 CB VAL A 61 3.044 0.982 -3.236 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.874 -0.535 -3.102 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.658 1.589 -3.311 1.00 0.00 C ATOM 0 H VAL A 61 3.646 3.451 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 61 3.206 1.086 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 61 3.634 1.228 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.380 -0.926 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.853 -1.003 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.268 -0.757 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.146 1.219 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.090 1.311 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.739 2.675 -3.365 1.00 0.00 H new ATOM 904 N ASN A 62 5.565 0.152 -1.161 1.00 0.00 N ATOM 905 CA ASN A 62 6.975 -0.218 -0.998 1.00 0.00 C ATOM 906 C ASN A 62 7.833 0.991 -0.556 1.00 0.00 C ATOM 907 O ASN A 62 9.054 1.002 -0.703 1.00 0.00 O ATOM 908 CB ASN A 62 7.521 -0.894 -2.262 1.00 0.00 C ATOM 909 CG ASN A 62 7.271 -2.364 -2.254 1.00 0.00 C ATOM 910 OD1 ASN A 62 6.067 -2.750 -2.570 1.00 0.00 O flip ATOM 911 ND2 ASN A 62 8.132 -3.169 -1.983 1.00 0.00 N flip ATOM 0 H ASN A 62 4.917 -0.391 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 62 7.038 -0.952 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.055 -0.451 -3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.592 -0.708 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.069 -2.850 -1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.921 -4.167 -2.000 1.00 0.00 H new ATOM 918 N GLY A 63 7.202 2.045 -0.034 1.00 0.00 N ATOM 919 CA GLY A 63 7.862 3.294 0.318 1.00 0.00 C ATOM 920 C GLY A 63 8.021 4.255 -0.864 1.00 0.00 C ATOM 921 O GLY A 63 8.719 5.257 -0.713 1.00 0.00 O ATOM 0 H GLY A 63 6.200 2.050 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.291 3.789 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.846 3.072 0.731 1.00 0.00 H new ATOM 925 N GLU A 64 7.370 4.014 -2.007 1.00 0.00 N ATOM 926 CA GLU A 64 7.434 4.829 -3.215 1.00 0.00 C ATOM 927 C GLU A 64 6.030 5.340 -3.527 1.00 0.00 C ATOM 928 O GLU A 64 5.089 4.556 -3.613 1.00 0.00 O ATOM 929 CB GLU A 64 7.994 4.004 -4.380 1.00 0.00 C ATOM 930 CG GLU A 64 8.706 4.901 -5.399 1.00 0.00 C ATOM 931 CD GLU A 64 10.119 5.227 -4.913 1.00 0.00 C ATOM 932 OE1 GLU A 64 11.020 4.373 -5.074 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.319 6.305 -4.301 1.00 0.00 O ATOM 0 H GLU A 64 6.757 3.206 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 64 8.101 5.678 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.690 3.257 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.184 3.464 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.752 4.401 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.141 5.822 -5.543 1.00 0.00 H new ATOM 940 N ARG A 65 5.857 6.655 -3.625 1.00 0.00 N ATOM 941 CA ARG A 65 4.570 7.295 -3.871 1.00 0.00 C ATOM 942 C ARG A 65 4.038 6.829 -5.223 1.00 0.00 C ATOM 943 O ARG A 65 4.622 7.165 -6.252 1.00 0.00 O ATOM 944 CB ARG A 65 4.767 8.811 -3.734 1.00 0.00 C ATOM 945 CG ARG A 65 3.739 9.693 -4.446 1.00 0.00 C ATOM 946 CD ARG A 65 4.229 10.248 -5.794 1.00 0.00 C ATOM 947 NE ARG A 65 3.755 11.624 -5.984 1.00 0.00 N ATOM 948 CZ ARG A 65 3.296 12.224 -7.085 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.133 11.590 -8.240 1.00 0.00 N ATOM 950 NH2 ARG A 65 3.003 13.513 -6.987 1.00 0.00 N ATOM 0 H ARG A 65 6.625 7.319 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 65 3.806 7.014 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.759 9.063 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.757 9.064 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.829 9.115 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.475 10.526 -3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.318 10.224 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.869 9.617 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 65 3.780 12.210 -5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.362 10.599 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.779 12.094 -9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.132 13.999 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.649 14.019 -7.799 1.00 0.00 H new ATOM 964 N LEU A 66 2.951 6.056 -5.223 1.00 0.00 N ATOM 965 CA LEU A 66 2.386 5.424 -6.409 1.00 0.00 C ATOM 966 C LEU A 66 0.864 5.438 -6.203 1.00 0.00 C ATOM 967 O LEU A 66 0.373 4.766 -5.303 1.00 0.00 O ATOM 968 CB LEU A 66 2.982 4.023 -6.571 1.00 0.00 C ATOM 969 CG LEU A 66 4.445 3.996 -7.054 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.893 2.544 -7.047 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.665 4.550 -8.466 1.00 0.00 C ATOM 0 H LEU A 66 2.427 5.849 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 66 2.622 5.945 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.920 3.504 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.370 3.462 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 66 5.014 4.638 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.928 2.481 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.816 2.144 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.258 1.964 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.723 4.490 -8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.087 3.964 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.341 5.590 -8.503 1.00 0.00 H new ATOM 983 N GLN A 67 0.136 6.276 -6.950 1.00 0.00 N ATOM 984 CA GLN A 67 -1.237 6.692 -6.704 1.00 0.00 C ATOM 985 C GLN A 67 -2.147 6.578 -7.927 1.00 0.00 C ATOM 986 O GLN A 67 -3.071 7.372 -8.083 1.00 0.00 O ATOM 987 CB GLN A 67 -1.220 8.125 -6.087 1.00 0.00 C ATOM 988 CG GLN A 67 -0.832 9.381 -6.864 1.00 0.00 C ATOM 989 CD GLN A 67 0.487 9.370 -7.622 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.525 8.770 -7.064 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 0.615 9.948 -8.689 1.00 0.00 N flip ATOM 0 H GLN A 67 0.519 6.704 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.683 5.998 -5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.224 8.303 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.551 8.079 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.627 9.591 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.807 10.214 -6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.187 10.410 -9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.524 9.969 -9.152 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.900 5.613 -8.810 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.664 5.467 -10.044 1.00 0.00 C ATOM 1002 C ASP A 68 -2.893 3.993 -10.381 1.00 0.00 C ATOM 1003 O ASP A 68 -2.151 3.115 -9.928 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.885 6.184 -11.148 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.663 6.359 -12.450 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.905 6.215 -12.430 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -1.977 6.645 -13.461 1.00 0.00 O ATOM 0 H ASP A 68 -1.167 4.914 -8.690 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.654 5.910 -9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.582 7.166 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.973 5.625 -11.355 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.921 3.698 -11.171 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.050 2.407 -11.838 1.00 0.00 C ATOM 1014 C VAL A 69 -2.864 2.277 -12.784 1.00 0.00 C ATOM 1015 O VAL A 69 -2.433 3.233 -13.424 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.426 2.273 -12.523 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.889 3.522 -13.292 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -5.522 1.053 -13.448 1.00 0.00 C ATOM 0 H VAL A 69 -4.685 4.345 -11.366 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.022 1.578 -11.131 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.103 2.140 -11.679 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.865 3.333 -13.739 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.961 4.366 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.169 3.753 -14.077 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.514 1.015 -13.899 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.769 1.131 -14.233 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.351 0.144 -12.871 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.277 1.090 -12.806 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.050 0.829 -13.542 1.00 0.00 C ATOM 1030 C GLY A 70 0.207 1.309 -12.825 1.00 0.00 C ATOM 1031 O GLY A 70 1.319 0.961 -13.231 1.00 0.00 O ATOM 0 H GLY A 70 -2.641 0.276 -12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.967 -0.242 -13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.110 1.315 -14.516 1.00 0.00 H new ATOM 1035 N ALA A 71 0.054 2.048 -11.725 1.00 0.00 N ATOM 1036 CA ALA A 71 1.133 2.269 -10.777 1.00 0.00 C ATOM 1037 C ALA A 71 1.264 0.996 -9.944 1.00 0.00 C ATOM 1038 O ALA A 71 2.340 0.402 -9.932 1.00 0.00 O ATOM 1039 CB ALA A 71 0.919 3.529 -9.939 1.00 0.00 C ATOM 0 H ALA A 71 -0.821 2.507 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 71 2.072 2.459 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.751 3.651 -9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.863 4.397 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.011 3.439 -9.377 1.00 0.00 H new ATOM 1045 N ILE A 72 0.178 0.505 -9.318 1.00 0.00 N ATOM 1046 CA ILE A 72 0.138 -0.803 -8.671 1.00 0.00 C ATOM 1047 C ILE A 72 -1.199 -1.485 -8.947 1.00 0.00 C ATOM 1048 O ILE A 72 -2.235 -0.818 -8.944 1.00 0.00 O ATOM 1049 CB ILE A 72 0.316 -0.681 -7.156 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.250 0.469 -6.757 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.855 -2.003 -6.575 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.444 1.723 -6.390 1.00 0.00 C ATOM 0 H ILE A 72 -0.701 1.017 -9.251 1.00 0.00 H new ATOM 0 HA ILE A 72 0.957 -1.394 -9.080 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.669 -0.461 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.866 0.166 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.928 0.695 -7.580 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.977 -1.903 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.151 -2.808 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.818 -2.234 -7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.127 2.525 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.152 2.036 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.216 1.499 -5.552 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.174 -2.811 -9.092 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.301 -3.698 -9.029 1.00 0.00 C ATOM 1066 C LEU A 73 -1.883 -4.688 -7.935 1.00 0.00 C ATOM 1067 O LEU A 73 -2.023 -4.378 -6.754 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.657 -4.252 -10.415 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.048 -3.146 -11.430 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.276 -3.792 -12.787 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.306 -2.355 -11.087 1.00 0.00 C ATOM 0 H LEU A 73 -0.302 -3.311 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.256 -3.248 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.807 -4.811 -10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.484 -4.956 -10.317 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.220 -2.437 -11.415 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.552 -3.027 -13.512 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.361 -4.287 -13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.078 -4.526 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.489 -1.609 -11.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.157 -3.033 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.172 -1.857 -10.127 1.00 0.00 H new ATOM 1083 N THR A 74 -1.240 -5.799 -8.273 1.00 0.00 N ATOM 1084 CA THR A 74 -0.889 -6.870 -7.343 1.00 0.00 C ATOM 1085 C THR A 74 0.566 -6.821 -6.876 1.00 0.00 C ATOM 1086 O THR A 74 1.318 -5.906 -7.212 1.00 0.00 O ATOM 1087 CB THR A 74 -1.225 -8.201 -8.034 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.024 -8.088 -9.431 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.682 -8.521 -7.753 1.00 0.00 C ATOM 0 H THR A 74 -0.939 -5.987 -9.229 1.00 0.00 H new ATOM 0 HA THR A 74 -1.467 -6.751 -6.427 1.00 0.00 H new ATOM 0 HB THR A 74 -0.579 -8.993 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.239 -8.941 -9.862 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.947 -9.463 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.835 -8.607 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.312 -7.723 -8.147 1.00 0.00 H new ATOM 1097 N ALA A 75 0.983 -7.825 -6.094 1.00 0.00 N ATOM 1098 CA ALA A 75 2.361 -7.947 -5.662 1.00 0.00 C ATOM 1099 C ALA A 75 3.309 -8.039 -6.829 1.00 0.00 C ATOM 1100 O ALA A 75 4.380 -7.458 -6.751 1.00 0.00 O ATOM 1101 CB ALA A 75 2.586 -9.209 -4.832 1.00 0.00 C ATOM 0 H ALA A 75 0.371 -8.565 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 75 2.555 -7.051 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.631 -9.263 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.951 -9.180 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.336 -10.086 -5.429 1.00 0.00 H new ATOM 1107 N GLU A 76 2.955 -8.800 -7.861 1.00 0.00 N ATOM 1108 CA GLU A 76 3.819 -9.012 -9.016 1.00 0.00 C ATOM 1109 C GLU A 76 3.818 -7.786 -9.934 1.00 0.00 C ATOM 1110 O GLU A 76 4.626 -7.674 -10.851 1.00 0.00 O ATOM 1111 CB GLU A 76 3.349 -10.306 -9.689 1.00 0.00 C ATOM 1112 CG GLU A 76 4.270 -10.823 -10.802 1.00 0.00 C ATOM 1113 CD GLU A 76 3.984 -12.285 -11.167 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.974 -12.871 -10.716 1.00 0.00 O ATOM 1115 OE2 GLU A 76 4.787 -12.899 -11.909 1.00 0.00 O ATOM 0 H GLU A 76 2.061 -9.287 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 76 4.864 -9.130 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.252 -11.080 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.355 -10.142 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.149 -10.200 -11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.308 -10.727 -10.484 1.00 0.00 H new ATOM 1122 N HIS A 77 2.947 -6.824 -9.636 1.00 0.00 N ATOM 1123 CA HIS A 77 2.928 -5.512 -10.236 1.00 0.00 C ATOM 1124 C HIS A 77 3.750 -4.519 -9.385 1.00 0.00 C ATOM 1125 O HIS A 77 3.902 -3.359 -9.770 1.00 0.00 O ATOM 1126 CB HIS A 77 1.461 -5.128 -10.352 1.00 0.00 C ATOM 1127 CG HIS A 77 1.199 -3.961 -11.243 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.567 -2.679 -10.970 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.279 -3.923 -12.244 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.785 -1.873 -11.681 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.013 -2.577 -12.523 1.00 0.00 N ATOM 0 H HIS A 77 2.211 -6.952 -8.942 1.00 0.00 H new ATOM 0 HA HIS A 77 3.392 -5.497 -11.222 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.901 -5.986 -10.724 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.077 -4.904 -9.357 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.310 -2.389 -10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.166 -4.776 -12.735 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.773 -0.797 -11.593 1.00 0.00 H new ATOM 1139 N ARG A 78 4.275 -4.911 -8.210 1.00 0.00 N ATOM 1140 CA ARG A 78 5.136 -4.036 -7.411 1.00 0.00 C ATOM 1141 C ARG A 78 6.496 -4.693 -7.226 1.00 0.00 C ATOM 1142 O ARG A 78 7.488 -4.151 -7.702 1.00 0.00 O ATOM 1143 CB ARG A 78 4.465 -3.590 -6.097 1.00 0.00 C ATOM 1144 CG ARG A 78 4.759 -2.147 -5.610 1.00 0.00 C ATOM 1145 CD ARG A 78 6.115 -1.482 -5.922 1.00 0.00 C ATOM 1146 NE ARG A 78 6.292 -1.103 -7.340 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.470 -1.160 -7.981 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.607 -1.084 -7.300 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.502 -1.313 -9.296 1.00 0.00 N ATOM 0 H ARG A 78 4.115 -5.830 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 78 5.299 -3.103 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.386 -3.694 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.768 -4.281 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.982 -1.503 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.638 -2.141 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.221 -0.591 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.916 -2.165 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 78 5.475 -0.781 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.588 -0.982 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.500 -1.128 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.631 -1.388 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.397 -1.356 -9.783 1.00 0.00 H new ATOM 1163 N LEU A 79 6.571 -5.820 -6.527 1.00 0.00 N ATOM 1164 CA LEU A 79 7.737 -6.660 -6.417 1.00 0.00 C ATOM 1165 C LEU A 79 7.720 -7.704 -7.531 1.00 0.00 C ATOM 1166 O LEU A 79 6.831 -7.731 -8.373 1.00 0.00 O ATOM 1167 CB LEU A 79 7.770 -7.314 -5.012 1.00 0.00 C ATOM 1168 CG LEU A 79 6.692 -6.992 -3.969 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.022 -7.791 -2.700 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.629 -5.545 -3.476 1.00 0.00 C ATOM 0 H LEU A 79 5.777 -6.182 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 79 8.644 -6.066 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.759 -8.394 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.732 -7.064 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 79 5.753 -7.223 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.273 -7.585 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.022 -8.856 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.006 -7.500 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.828 -5.445 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.579 -5.276 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.435 -4.882 -4.319 1.00 0.00 H new ATOM 1182 N GLU A 80 8.667 -8.634 -7.444 1.00 0.00 N ATOM 1183 CA GLU A 80 8.729 -9.887 -8.187 1.00 0.00 C ATOM 1184 C GLU A 80 7.426 -10.713 -8.131 1.00 0.00 C ATOM 1185 O GLU A 80 7.252 -11.638 -8.923 1.00 0.00 O ATOM 1186 CB GLU A 80 9.887 -10.702 -7.583 1.00 0.00 C ATOM 1187 CG GLU A 80 9.516 -11.229 -6.184 1.00 0.00 C ATOM 1188 CD GLU A 80 10.642 -11.982 -5.489 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.078 -13.038 -5.998 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.968 -11.622 -4.335 1.00 0.00 O ATOM 0 H GLU A 80 9.461 -8.525 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 80 8.880 -9.656 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.129 -11.538 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.779 -10.080 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.214 -10.389 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.652 -11.888 -6.272 1.00 0.00 H new ATOM 1197 N GLY A 81 6.537 -10.437 -7.171 1.00 0.00 N ATOM 1198 CA GLY A 81 5.331 -11.179 -6.912 1.00 0.00 C ATOM 1199 C GLY A 81 5.454 -12.017 -5.660 1.00 0.00 C ATOM 1200 O GLY A 81 5.690 -13.217 -5.754 1.00 0.00 O ATOM 0 H GLY A 81 6.658 -9.651 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.493 -10.489 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.110 -11.824 -7.762 1.00 0.00 H new ATOM 1204 N ARG A 82 5.273 -11.380 -4.493 1.00 0.00 N ATOM 1205 CA ARG A 82 5.020 -12.085 -3.236 1.00 0.00 C ATOM 1206 C ARG A 82 4.040 -11.321 -2.353 1.00 0.00 C ATOM 1207 O ARG A 82 2.961 -11.833 -2.072 1.00 0.00 O ATOM 1208 CB ARG A 82 6.319 -12.396 -2.462 1.00 0.00 C ATOM 1209 CG ARG A 82 7.419 -13.145 -3.222 1.00 0.00 C ATOM 1210 CD ARG A 82 8.595 -13.412 -2.276 1.00 0.00 C ATOM 1211 NE ARG A 82 9.790 -13.811 -3.027 1.00 0.00 N ATOM 1212 CZ ARG A 82 10.156 -15.046 -3.373 1.00 0.00 C ATOM 1213 NH1 ARG A 82 9.590 -16.113 -2.822 1.00 0.00 N ATOM 1214 NH2 ARG A 82 11.114 -15.191 -4.275 1.00 0.00 N ATOM 0 H ARG A 82 5.299 -10.365 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 82 4.567 -13.039 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.735 -11.454 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.057 -12.982 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.031 -14.085 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.751 -12.557 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.809 -12.516 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.327 -14.196 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 82 10.413 -13.057 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.860 -15.997 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.885 -17.048 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.554 -14.369 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.412 -16.125 -4.557 1.00 0.00 H new ATOM 1228 N PHE A 83 4.410 -10.120 -1.907 1.00 0.00 N ATOM 1229 CA PHE A 83 3.700 -9.283 -0.938 1.00 0.00 C ATOM 1230 C PHE A 83 3.602 -7.863 -1.513 1.00 0.00 C ATOM 1231 O PHE A 83 3.987 -7.625 -2.655 1.00 0.00 O ATOM 1232 CB PHE A 83 4.482 -9.272 0.390 1.00 0.00 C ATOM 1233 CG PHE A 83 4.316 -10.472 1.305 1.00 0.00 C ATOM 1234 CD1 PHE A 83 4.864 -11.724 0.978 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.668 -10.310 2.542 1.00 0.00 C ATOM 1236 CE1 PHE A 83 4.728 -12.815 1.853 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.572 -11.385 3.442 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.090 -12.640 3.092 1.00 0.00 C ATOM 0 H PHE A 83 5.269 -9.677 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 83 2.699 -9.672 -0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.542 -9.170 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.190 -8.381 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.395 -11.849 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.241 -9.353 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.113 -13.785 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.099 -11.245 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.998 -13.472 3.775 1.00 0.00 H new ATOM 1248 N THR A 84 3.098 -6.895 -0.753 1.00 0.00 N ATOM 1249 CA THR A 84 3.221 -5.463 -1.001 1.00 0.00 C ATOM 1250 C THR A 84 2.934 -4.740 0.339 1.00 0.00 C ATOM 1251 O THR A 84 2.377 -5.333 1.268 1.00 0.00 O ATOM 1252 CB THR A 84 2.261 -5.100 -2.155 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.994 -5.234 -3.352 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.675 -3.690 -2.158 1.00 0.00 C ATOM 0 H THR A 84 2.567 -7.099 0.094 1.00 0.00 H new ATOM 0 HA THR A 84 4.215 -5.151 -1.322 1.00 0.00 H new ATOM 0 HB THR A 84 1.408 -5.768 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.578 -6.018 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.020 -3.570 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.103 -3.532 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.483 -2.960 -2.212 1.00 0.00 H new ATOM 1262 N VAL A 85 3.291 -3.457 0.467 1.00 0.00 N ATOM 1263 CA VAL A 85 3.016 -2.624 1.639 1.00 0.00 C ATOM 1264 C VAL A 85 2.489 -1.292 1.139 1.00 0.00 C ATOM 1265 O VAL A 85 2.976 -0.793 0.124 1.00 0.00 O ATOM 1266 CB VAL A 85 4.305 -2.421 2.450 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.158 -1.435 3.622 1.00 0.00 C ATOM 1268 CG2 VAL A 85 4.782 -3.754 3.013 1.00 0.00 C ATOM 0 H VAL A 85 3.794 -2.956 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 85 2.282 -3.100 2.289 1.00 0.00 H new ATOM 0 HB VAL A 85 5.025 -1.997 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.110 -1.346 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.861 -0.458 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.398 -1.801 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.696 -3.601 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.012 -4.171 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.979 -4.445 2.194 1.00 0.00 H new ATOM 1278 N ILE A 86 1.544 -0.715 1.879 1.00 0.00 N ATOM 1279 CA ILE A 86 0.769 0.467 1.564 1.00 0.00 C ATOM 1280 C ILE A 86 0.949 1.443 2.715 1.00 0.00 C ATOM 1281 O ILE A 86 0.258 1.325 3.728 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.716 0.054 1.430 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.982 -0.857 0.213 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.642 1.279 1.351 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.829 -0.125 -1.122 1.00 0.00 C ATOM 0 H ILE A 86 1.285 -1.100 2.788 1.00 0.00 H new ATOM 0 HA ILE A 86 1.091 0.930 0.631 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.938 -0.514 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.293 -1.701 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.990 -1.266 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.676 0.948 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.533 1.877 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.374 1.882 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.028 -0.816 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.536 0.703 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.187 0.260 -1.211 1.00 0.00 H new ATOM 1297 N ARG A 87 1.842 2.421 2.579 1.00 0.00 N ATOM 1298 CA ARG A 87 2.016 3.449 3.601 1.00 0.00 C ATOM 1299 C ARG A 87 1.182 4.630 3.157 1.00 0.00 C ATOM 1300 O ARG A 87 1.696 5.503 2.468 1.00 0.00 O ATOM 1301 CB ARG A 87 3.509 3.736 3.860 1.00 0.00 C ATOM 1302 CG ARG A 87 3.759 4.662 5.069 1.00 0.00 C ATOM 1303 CD ARG A 87 4.178 6.100 4.752 1.00 0.00 C ATOM 1304 NE ARG A 87 5.535 6.161 4.183 1.00 0.00 N ATOM 1305 CZ ARG A 87 6.229 7.269 3.893 1.00 0.00 C ATOM 1306 NH1 ARG A 87 5.715 8.482 4.071 1.00 0.00 N ATOM 1307 NH2 ARG A 87 7.465 7.161 3.420 1.00 0.00 N ATOM 0 H ARG A 87 2.456 2.523 1.771 1.00 0.00 H new ATOM 0 HA ARG A 87 1.662 3.136 4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.029 2.792 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.943 4.190 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.848 4.696 5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.532 4.210 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.469 6.539 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.138 6.699 5.662 1.00 0.00 H new ATOM 0 HE ARG A 87 5.992 5.270 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.769 8.586 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.267 9.308 3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.879 6.239 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.001 8.000 3.196 1.00 0.00 H new ATOM 1321 N ARG A 88 -0.116 4.635 3.471 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.964 5.798 3.238 1.00 0.00 C ATOM 1323 C ARG A 88 -0.740 6.740 4.410 1.00 0.00 C ATOM 1324 O ARG A 88 -1.170 6.430 5.521 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.442 5.395 3.083 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.424 6.585 3.082 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.235 7.612 1.948 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.035 9.021 2.381 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.776 10.083 2.000 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -5.015 9.981 1.547 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.263 11.300 2.056 1.00 0.00 N ATOM 0 H ARG A 88 -0.601 3.841 3.889 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.704 6.293 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.560 4.840 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.710 4.718 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.440 6.193 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.335 7.105 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.376 7.310 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.108 7.572 1.297 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.266 9.202 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.457 9.065 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.528 10.819 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.308 11.436 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.822 12.103 1.768 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.160 7.916 4.169 1.00 0.00 N ATOM 1346 CA GLY A 89 0.083 8.941 5.185 1.00 0.00 C ATOM 1347 C GLY A 89 -1.167 9.495 5.885 1.00 0.00 C ATOM 1348 O GLY A 89 -1.037 10.393 6.714 1.00 0.00 O ATOM 0 H GLY A 89 0.161 8.189 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.747 8.525 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.613 9.771 4.718 1.00 0.00 H new ATOM 1352 N LYS A 90 -2.373 9.005 5.570 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.581 9.243 6.355 1.00 0.00 C ATOM 1354 C LYS A 90 -3.475 8.499 7.690 1.00 0.00 C ATOM 1355 O LYS A 90 -3.729 9.099 8.732 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.830 8.801 5.563 1.00 0.00 C ATOM 1357 CG LYS A 90 -6.127 9.469 6.031 1.00 0.00 C ATOM 1358 CD LYS A 90 -6.245 10.908 5.508 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.450 11.585 6.162 1.00 0.00 C ATOM 1360 NZ LYS A 90 -7.548 13.012 5.805 1.00 0.00 N ATOM 0 H LYS A 90 -2.534 8.423 4.748 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.681 10.309 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.677 9.025 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.938 7.720 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.981 8.886 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.161 9.474 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.335 11.464 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.359 10.905 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.362 11.072 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.376 11.487 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.379 13.430 6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.689 13.508 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.645 13.106 4.774 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.059 7.226 7.670 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.825 6.407 8.856 1.00 0.00 C ATOM 1376 C LYS A 91 -1.407 5.854 8.800 1.00 0.00 C ATOM 1377 O LYS A 91 -0.507 6.503 9.331 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.946 5.363 9.064 1.00 0.00 C ATOM 1379 CG LYS A 91 -3.613 4.361 10.192 1.00 0.00 C ATOM 1380 CD LYS A 91 -4.835 3.700 10.841 1.00 0.00 C ATOM 1381 CE LYS A 91 -4.441 2.319 11.399 1.00 0.00 C ATOM 1382 NZ LYS A 91 -5.605 1.519 11.828 1.00 0.00 N ATOM 0 H LYS A 91 -2.872 6.727 6.800 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.883 7.012 9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.878 5.876 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.109 4.818 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.966 3.582 9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.044 4.879 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.219 4.331 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.635 3.593 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.889 1.769 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.767 2.453 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.280 0.601 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.119 2.027 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.237 1.364 11.017 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.179 4.676 8.211 1.00 0.00 N ATOM 1397 CA LYS A 92 0.045 3.927 8.414 1.00 0.00 C ATOM 1398 C LYS A 92 0.294 3.025 7.194 1.00 0.00 C ATOM 1399 O LYS A 92 -0.199 3.284 6.086 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.108 3.174 9.770 1.00 0.00 C ATOM 1401 CG LYS A 92 1.188 2.952 10.568 1.00 0.00 C ATOM 1402 CD LYS A 92 1.721 4.235 11.225 1.00 0.00 C ATOM 1403 CE LYS A 92 1.136 4.432 12.628 1.00 0.00 C ATOM 1404 NZ LYS A 92 1.924 3.730 13.667 1.00 0.00 N ATOM 0 H LYS A 92 -1.843 4.223 7.583 1.00 0.00 H new ATOM 0 HA LYS A 92 0.933 4.556 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.805 3.731 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.562 2.202 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.008 2.204 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.952 2.547 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.808 4.189 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.473 5.094 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.101 5.497 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.109 4.068 12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.597 4.025 14.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.798 2.703 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.931 3.968 13.559 1.00 0.00 H new ATOM 1418 N TYR A 93 1.119 2.012 7.434 1.00 0.00 N ATOM 1419 CA TYR A 93 1.660 0.994 6.545 1.00 0.00 C ATOM 1420 C TYR A 93 0.862 -0.290 6.696 1.00 0.00 C ATOM 1421 O TYR A 93 1.250 -1.205 7.414 1.00 0.00 O ATOM 1422 CB TYR A 93 3.158 0.756 6.775 1.00 0.00 C ATOM 1423 CG TYR A 93 3.721 1.296 8.075 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.968 2.673 8.202 1.00 0.00 C ATOM 1425 CD2 TYR A 93 3.988 0.437 9.153 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.495 3.200 9.386 1.00 0.00 C ATOM 1427 CE2 TYR A 93 4.580 0.946 10.319 1.00 0.00 C ATOM 1428 CZ TYR A 93 4.828 2.330 10.447 1.00 0.00 C ATOM 1429 OH TYR A 93 5.375 2.836 11.583 1.00 0.00 O ATOM 0 H TYR A 93 1.468 1.869 8.382 1.00 0.00 H new ATOM 0 HA TYR A 93 1.565 1.353 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.346 -0.317 6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.709 1.205 5.948 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.748 3.333 7.376 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.739 -0.612 9.085 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.646 4.265 9.488 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.847 0.276 11.123 1.00 0.00 H new ATOM 0 HH TYR A 93 5.545 2.108 12.217 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.253 -0.377 5.990 1.00 0.00 N ATOM 1440 CA TYR A 94 -1.014 -1.592 5.942 1.00 0.00 C ATOM 1441 C TYR A 94 -0.292 -2.503 4.969 1.00 0.00 C ATOM 1442 O TYR A 94 0.491 -2.069 4.116 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.383 -1.247 5.397 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.170 -0.236 6.207 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.971 1.150 6.022 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.190 -0.693 7.057 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.837 2.074 6.631 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -5.061 0.225 7.658 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.901 1.608 7.433 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.800 2.487 7.937 1.00 0.00 O ATOM 0 H TYR A 94 -0.644 0.390 5.443 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.117 -2.069 6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.266 -0.863 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.968 -2.164 5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.152 1.500 5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.303 -1.750 7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.689 3.134 6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.858 -0.128 8.296 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.469 2.004 8.466 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.570 -3.784 5.111 1.00 0.00 N ATOM 1461 CA LEU A 95 0.250 -4.820 4.530 1.00 0.00 C ATOM 1462 C LEU A 95 -0.666 -5.702 3.710 1.00 0.00 C ATOM 1463 O LEU A 95 -1.741 -6.099 4.158 1.00 0.00 O ATOM 1464 CB LEU A 95 0.967 -5.517 5.680 1.00 0.00 C ATOM 1465 CG LEU A 95 2.173 -6.369 5.281 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.872 -6.850 6.548 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.826 -7.585 4.427 1.00 0.00 C ATOM 0 H LEU A 95 -1.373 -4.133 5.634 1.00 0.00 H new ATOM 0 HA LEU A 95 1.025 -4.464 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.298 -4.760 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.251 -6.153 6.200 1.00 0.00 H new ATOM 0 HG LEU A 95 2.813 -5.732 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.735 -7.459 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.203 -5.990 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.179 -7.445 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.737 -8.134 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.145 -8.234 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.348 -7.257 3.504 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.267 -5.943 2.476 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.114 -6.551 1.470 1.00 0.00 C ATOM 1481 C ILE A 96 -0.404 -7.819 1.033 1.00 0.00 C ATOM 1482 O ILE A 96 0.758 -7.784 0.614 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.380 -5.566 0.313 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -1.868 -4.166 0.770 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.381 -6.181 -0.679 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.217 -4.130 1.495 1.00 0.00 C ATOM 0 H ILE A 96 0.669 -5.718 2.140 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.102 -6.801 1.856 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.418 -5.401 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.113 -3.736 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.931 -3.521 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.564 -5.480 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.971 -7.107 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.319 -6.393 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.456 -3.102 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.994 -4.522 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.162 -4.741 2.396 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.089 -8.946 1.172 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.626 -10.235 0.743 1.00 0.00 C ATOM 1500 C ARG A 97 -1.688 -10.920 -0.122 1.00 0.00 C ATOM 1501 O ARG A 97 -2.814 -10.446 -0.346 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.071 -11.034 1.941 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.747 -10.905 3.318 1.00 0.00 C ATOM 1504 CD ARG A 97 0.126 -11.556 4.398 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.598 -11.771 5.664 1.00 0.00 N ATOM 1506 CZ ARG A 97 -1.216 -12.895 6.049 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -1.231 -13.967 5.265 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.826 -12.939 7.227 1.00 0.00 N ATOM 0 H ARG A 97 -2.013 -8.976 1.603 1.00 0.00 H new ATOM 0 HA ARG A 97 0.232 -10.148 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.089 -12.089 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.975 -10.754 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.908 -9.853 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.727 -11.381 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.498 -12.512 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.996 -10.926 4.584 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.632 -10.984 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.768 -13.941 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.706 -14.816 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.823 -12.119 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.298 -13.792 7.525 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.280 -12.035 -0.697 1.00 0.00 N ATOM 1523 CA TYR A 98 -1.931 -12.695 -1.768 1.00 0.00 C ATOM 1524 C TYR A 98 -1.766 -14.182 -1.528 1.00 0.00 C ATOM 1525 O TYR A 98 -0.800 -14.618 -0.894 1.00 0.00 O ATOM 1526 CB TYR A 98 -1.203 -12.324 -3.056 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.900 -10.846 -3.275 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.106 -10.204 -2.529 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.691 -10.079 -4.143 1.00 0.00 C ATOM 1530 CE1 TYR A 98 0.205 -8.803 -2.510 1.00 0.00 C ATOM 1531 CE2 TYR A 98 -1.541 -8.683 -4.186 1.00 0.00 C ATOM 1532 CZ TYR A 98 -0.624 -8.029 -3.345 1.00 0.00 C ATOM 1533 OH TYR A 98 -0.518 -6.673 -3.370 1.00 0.00 O ATOM 0 H TYR A 98 -0.433 -12.518 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.984 -12.421 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.261 -12.871 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.800 -12.676 -3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.811 -10.796 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.417 -10.563 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.916 -8.320 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -2.138 -8.104 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.168 -6.306 -4.005 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.658 -14.927 -2.149 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.679 -16.374 -2.305 1.00 0.00 C ATOM 1545 C ALA A 99 -1.506 -16.855 -3.178 1.00 0.00 C ATOM 1546 O ALA A 99 -1.700 -17.510 -4.205 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.038 -16.783 -2.885 1.00 0.00 C ATOM 0 H ALA A 99 -3.465 -14.497 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.552 -16.854 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.070 -17.866 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.832 -16.471 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.180 -16.303 -3.853 1.00 0.00 H new