USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 144:sc= 0.624 USER MOD Set 1.2: A 58 THR OG1 : rot 140:sc= 1.04 USER MOD Set 2.1: A 44 ASN : amide:sc= -2.1 K(o=-0.75,f=-1.3!) USER MOD Set 2.2: A 65 SER OG : rot 50:sc= 1.34 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 16 SER OG : rot -9:sc= -5.49! USER MOD Single : A 18 GLN : amide:sc= -0.0525 K(o=-0.052,f=-1.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -1.75! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -1.94 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0289 K(o=-0.029,f=-0.61) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.0813 F(o=-0.58,f=-0.081) USER MOD Single : A 69 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -42:sc= 0.0071 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 14.383 -1.388 11.763 1.00 0.00 N ATOM 131 CA SER A 10 13.560 -2.556 12.051 1.00 0.00 C ATOM 132 C SER A 10 12.979 -3.143 10.765 1.00 0.00 C ATOM 133 O SER A 10 12.110 -2.538 10.138 1.00 0.00 O ATOM 134 CB SER A 10 12.427 -2.181 13.009 1.00 0.00 C ATOM 135 OG SER A 10 12.838 -2.303 14.359 1.00 0.00 O ATOM 0 HA SER A 10 14.192 -3.309 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.106 -1.158 12.815 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.566 -2.825 12.828 1.00 0.00 H new ATOM 0 HG SER A 10 12.097 -2.056 14.950 1.00 0.00 H new ATOM 141 N PRO A 11 13.452 -4.334 10.350 1.00 0.00 N ATOM 142 CA PRO A 11 12.968 -4.990 9.130 1.00 0.00 C ATOM 143 C PRO A 11 11.515 -5.438 9.242 1.00 0.00 C ATOM 144 O PRO A 11 10.872 -5.747 8.238 1.00 0.00 O ATOM 145 CB PRO A 11 13.891 -6.199 8.979 1.00 0.00 C ATOM 146 CG PRO A 11 14.381 -6.471 10.355 1.00 0.00 C ATOM 147 CD PRO A 11 14.488 -5.132 11.028 1.00 0.00 C ATOM 0 HA PRO A 11 12.988 -4.314 8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.357 -7.057 8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.716 -5.985 8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.693 -7.124 10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.347 -6.975 10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.304 -5.204 12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.479 -4.696 10.903 1.00 0.00 H new ATOM 155 N ASP A 12 11.000 -5.470 10.466 1.00 0.00 N ATOM 156 CA ASP A 12 9.621 -5.880 10.703 1.00 0.00 C ATOM 157 C ASP A 12 8.644 -4.925 10.030 1.00 0.00 C ATOM 158 O ASP A 12 7.508 -5.292 9.730 1.00 0.00 O ATOM 159 CB ASP A 12 9.338 -5.950 12.202 1.00 0.00 C ATOM 160 CG ASP A 12 9.087 -7.367 12.679 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.920 -7.810 12.634 1.00 0.00 O ATOM 162 OD2 ASP A 12 10.057 -8.033 13.099 1.00 0.00 O ATOM 0 H ASP A 12 11.516 -5.217 11.309 1.00 0.00 H new ATOM 0 HA ASP A 12 9.484 -6.871 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.183 -5.530 12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.470 -5.333 12.434 1.00 0.00 H new ATOM 167 N ILE A 13 9.095 -3.701 9.790 1.00 0.00 N ATOM 168 CA ILE A 13 8.265 -2.698 9.145 1.00 0.00 C ATOM 169 C ILE A 13 8.103 -3.011 7.673 1.00 0.00 C ATOM 170 O ILE A 13 6.990 -3.186 7.176 1.00 0.00 O ATOM 171 CB ILE A 13 8.843 -1.286 9.302 1.00 0.00 C ATOM 172 CG1 ILE A 13 9.344 -1.060 10.731 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.801 -0.242 8.928 1.00 0.00 C ATOM 174 CD1 ILE A 13 8.291 -1.310 11.789 1.00 0.00 C ATOM 0 H ILE A 13 10.032 -3.381 10.033 1.00 0.00 H new ATOM 0 HA ILE A 13 7.293 -2.725 9.638 1.00 0.00 H new ATOM 0 HB ILE A 13 9.692 -1.186 8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.196 -1.715 10.916 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.704 -0.035 10.823 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.226 0.755 9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.496 -0.387 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.933 -0.345 9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.717 -1.130 12.776 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.448 -0.637 11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.948 -2.343 11.724 1.00 0.00 H new ATOM 186 N GLU A 14 9.227 -3.103 6.987 1.00 0.00 N ATOM 187 CA GLU A 14 9.229 -3.424 5.570 1.00 0.00 C ATOM 188 C GLU A 14 8.677 -4.827 5.352 1.00 0.00 C ATOM 189 O GLU A 14 8.216 -5.164 4.262 1.00 0.00 O ATOM 190 CB GLU A 14 10.643 -3.317 4.997 1.00 0.00 C ATOM 191 CG GLU A 14 10.685 -3.311 3.478 1.00 0.00 C ATOM 192 CD GLU A 14 11.046 -4.665 2.899 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.251 -4.987 2.847 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.122 -5.405 2.498 1.00 0.00 O ATOM 0 H GLU A 14 10.154 -2.960 7.389 1.00 0.00 H new ATOM 0 HA GLU A 14 8.592 -2.708 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.108 -2.404 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.239 -4.152 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.713 -3.003 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.411 -2.571 3.141 1.00 0.00 H new ATOM 201 N GLN A 15 8.722 -5.640 6.405 1.00 0.00 N ATOM 202 CA GLN A 15 8.225 -7.000 6.342 1.00 0.00 C ATOM 203 C GLN A 15 6.712 -7.023 6.446 1.00 0.00 C ATOM 204 O GLN A 15 6.035 -7.769 5.739 1.00 0.00 O ATOM 205 CB GLN A 15 8.845 -7.835 7.445 1.00 0.00 C ATOM 206 CG GLN A 15 10.071 -8.596 6.986 1.00 0.00 C ATOM 207 CD GLN A 15 9.752 -10.011 6.543 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.678 -10.163 5.776 1.00 0.00 O flip ATOM 209 NE2 GLN A 15 10.463 -10.956 6.885 1.00 0.00 N flip ATOM 0 H GLN A 15 9.101 -5.373 7.314 1.00 0.00 H new ATOM 0 HA GLN A 15 8.507 -7.427 5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.117 -7.186 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.104 -8.541 7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.539 -8.059 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.798 -8.629 7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.279 -10.793 7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.236 -11.902 6.578 1.00 0.00 H new ATOM 218 N SER A 16 6.190 -6.187 7.328 1.00 0.00 N ATOM 219 CA SER A 16 4.754 -6.087 7.528 1.00 0.00 C ATOM 220 C SER A 16 4.096 -5.445 6.315 1.00 0.00 C ATOM 221 O SER A 16 2.910 -5.648 6.057 1.00 0.00 O ATOM 222 CB SER A 16 4.444 -5.279 8.788 1.00 0.00 C ATOM 223 OG SER A 16 3.122 -5.522 9.238 1.00 0.00 O ATOM 0 H SER A 16 6.742 -5.565 7.919 1.00 0.00 H new ATOM 0 HA SER A 16 4.352 -7.092 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.153 -5.539 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.572 -4.216 8.583 1.00 0.00 H new ATOM 0 HG SER A 16 2.638 -6.045 8.565 1.00 0.00 H new ATOM 229 N PHE A 17 4.880 -4.674 5.568 1.00 0.00 N ATOM 230 CA PHE A 17 4.382 -4.008 4.378 1.00 0.00 C ATOM 231 C PHE A 17 4.173 -5.008 3.252 1.00 0.00 C ATOM 232 O PHE A 17 3.285 -4.841 2.416 1.00 0.00 O ATOM 233 CB PHE A 17 5.343 -2.906 3.939 1.00 0.00 C ATOM 234 CG PHE A 17 4.727 -1.537 3.954 1.00 0.00 C ATOM 235 CD1 PHE A 17 3.999 -1.103 5.050 1.00 0.00 C ATOM 236 CD2 PHE A 17 4.874 -0.685 2.871 1.00 0.00 C ATOM 237 CE1 PHE A 17 3.430 0.156 5.066 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.307 0.574 2.881 1.00 0.00 C ATOM 239 CZ PHE A 17 3.584 0.996 3.980 1.00 0.00 C ATOM 0 H PHE A 17 5.864 -4.497 5.770 1.00 0.00 H new ATOM 0 HA PHE A 17 3.421 -3.554 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.214 -2.912 4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.700 -3.125 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.875 -1.756 5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.438 -1.009 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.865 0.483 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.429 1.228 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.140 1.981 3.990 1.00 0.00 H new ATOM 249 N GLN A 18 4.991 -6.052 3.240 1.00 0.00 N ATOM 250 CA GLN A 18 4.883 -7.082 2.218 1.00 0.00 C ATOM 251 C GLN A 18 3.576 -7.843 2.370 1.00 0.00 C ATOM 252 O GLN A 18 2.979 -8.278 1.387 1.00 0.00 O ATOM 253 CB GLN A 18 6.063 -8.053 2.290 1.00 0.00 C ATOM 254 CG GLN A 18 5.872 -9.303 1.442 1.00 0.00 C ATOM 255 CD GLN A 18 7.172 -10.037 1.180 1.00 0.00 C ATOM 256 OE1 GLN A 18 8.257 -9.472 1.321 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.069 -11.304 0.796 1.00 0.00 N ATOM 0 H GLN A 18 5.733 -6.207 3.923 1.00 0.00 H new ATOM 0 HA GLN A 18 4.899 -6.592 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.967 -7.538 1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.218 -8.348 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.175 -9.974 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.418 -9.026 0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.149 -11.732 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.910 -11.849 0.605 1.00 0.00 H new ATOM 266 N GLU A 19 3.140 -7.998 3.609 1.00 0.00 N ATOM 267 CA GLU A 19 1.901 -8.705 3.893 1.00 0.00 C ATOM 268 C GLU A 19 0.727 -7.994 3.245 1.00 0.00 C ATOM 269 O GLU A 19 -0.226 -8.626 2.794 1.00 0.00 O ATOM 270 CB GLU A 19 1.686 -8.829 5.400 1.00 0.00 C ATOM 271 CG GLU A 19 1.640 -10.266 5.891 1.00 0.00 C ATOM 272 CD GLU A 19 2.360 -10.453 7.213 1.00 0.00 C ATOM 273 OE1 GLU A 19 1.836 -9.984 8.245 1.00 0.00 O ATOM 274 OE2 GLU A 19 3.446 -11.070 7.215 1.00 0.00 O ATOM 0 H GLU A 19 3.625 -7.644 4.434 1.00 0.00 H new ATOM 0 HA GLU A 19 1.973 -9.709 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.488 -8.302 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.753 -8.332 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.601 -10.576 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.089 -10.917 5.141 1.00 0.00 H new ATOM 281 N ALA A 20 0.812 -6.676 3.192 1.00 0.00 N ATOM 282 CA ALA A 20 -0.233 -5.872 2.586 1.00 0.00 C ATOM 283 C ALA A 20 -0.104 -5.882 1.073 1.00 0.00 C ATOM 284 O ALA A 20 -1.095 -5.784 0.351 1.00 0.00 O ATOM 285 CB ALA A 20 -0.186 -4.447 3.116 1.00 0.00 C ATOM 0 H ALA A 20 1.596 -6.140 3.563 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.197 -6.306 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.977 -3.859 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.329 -4.456 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.782 -4.003 2.882 1.00 0.00 H new ATOM 291 N LEU A 21 1.125 -6.010 0.600 1.00 0.00 N ATOM 292 CA LEU A 21 1.391 -6.043 -0.825 1.00 0.00 C ATOM 293 C LEU A 21 1.129 -7.433 -1.385 1.00 0.00 C ATOM 294 O LEU A 21 0.739 -7.587 -2.543 1.00 0.00 O ATOM 295 CB LEU A 21 2.824 -5.605 -1.111 1.00 0.00 C ATOM 296 CG LEU A 21 2.968 -4.183 -1.656 1.00 0.00 C ATOM 297 CD1 LEU A 21 2.431 -4.100 -3.077 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.248 -3.190 -0.753 1.00 0.00 C ATOM 0 H LEU A 21 1.956 -6.093 1.186 1.00 0.00 H new ATOM 0 HA LEU A 21 0.716 -5.344 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.403 -5.686 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.264 -6.299 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 21 4.027 -3.926 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.541 -3.081 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.990 -4.783 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.377 -4.377 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.361 -2.184 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.189 -3.444 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.678 -3.230 0.248 1.00 0.00 H new ATOM 310 N SER A 22 1.329 -8.442 -0.547 1.00 0.00 N ATOM 311 CA SER A 22 1.098 -9.819 -0.943 1.00 0.00 C ATOM 312 C SER A 22 -0.389 -10.132 -0.883 1.00 0.00 C ATOM 313 O SER A 22 -0.908 -10.922 -1.672 1.00 0.00 O ATOM 314 CB SER A 22 1.877 -10.777 -0.039 1.00 0.00 C ATOM 315 OG SER A 22 2.302 -11.923 -0.756 1.00 0.00 O ATOM 0 H SER A 22 1.652 -8.329 0.414 1.00 0.00 H new ATOM 0 HA SER A 22 1.449 -9.952 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.743 -10.264 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.251 -11.081 0.800 1.00 0.00 H new ATOM 0 HG SER A 22 2.799 -12.518 -0.157 1.00 0.00 H new ATOM 321 N ILE A 23 -1.066 -9.493 0.061 1.00 0.00 N ATOM 322 CA ILE A 23 -2.497 -9.675 0.243 1.00 0.00 C ATOM 323 C ILE A 23 -3.279 -8.686 -0.608 1.00 0.00 C ATOM 324 O ILE A 23 -4.347 -8.997 -1.133 1.00 0.00 O ATOM 325 CB ILE A 23 -2.892 -9.514 1.727 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.954 -10.546 2.112 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.382 -8.101 2.026 1.00 0.00 C ATOM 328 CD1 ILE A 23 -5.287 -10.323 1.432 1.00 0.00 C ATOM 0 H ILE A 23 -0.641 -8.838 0.718 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.744 -10.688 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.000 -9.687 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.589 -11.542 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.098 -10.522 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.651 -8.025 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.591 -7.386 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.255 -7.881 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.991 -11.091 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.674 -9.341 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.157 -10.376 0.351 1.00 0.00 H new ATOM 340 N TYR A 24 -2.727 -7.489 -0.720 1.00 0.00 N ATOM 341 CA TYR A 24 -3.340 -6.419 -1.489 1.00 0.00 C ATOM 342 C TYR A 24 -2.472 -6.038 -2.690 1.00 0.00 C ATOM 343 O TYR A 24 -1.695 -5.085 -2.627 1.00 0.00 O ATOM 344 CB TYR A 24 -3.568 -5.197 -0.598 1.00 0.00 C ATOM 345 CG TYR A 24 -4.998 -4.704 -0.564 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.069 -5.587 -0.631 1.00 0.00 C ATOM 347 CD2 TYR A 24 -5.272 -3.347 -0.457 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.373 -5.129 -0.595 1.00 0.00 C ATOM 349 CE2 TYR A 24 -6.571 -2.881 -0.419 1.00 0.00 C ATOM 350 CZ TYR A 24 -7.618 -3.776 -0.489 1.00 0.00 C ATOM 351 OH TYR A 24 -8.915 -3.317 -0.453 1.00 0.00 O ATOM 0 H TYR A 24 -1.843 -7.232 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.300 -6.775 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.257 -5.440 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.926 -4.387 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.880 -6.647 -0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.454 -2.644 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.195 -5.827 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.766 -1.822 -0.335 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.491 -3.996 -0.044 1.00 0.00 H new ATOM 361 N PRO A 25 -2.592 -6.779 -3.807 1.00 0.00 N ATOM 362 CA PRO A 25 -1.827 -6.523 -5.016 1.00 0.00 C ATOM 363 C PRO A 25 -2.523 -5.529 -5.943 1.00 0.00 C ATOM 364 O PRO A 25 -3.685 -5.182 -5.733 1.00 0.00 O ATOM 365 CB PRO A 25 -1.738 -7.902 -5.679 1.00 0.00 C ATOM 366 CG PRO A 25 -2.747 -8.775 -4.992 1.00 0.00 C ATOM 367 CD PRO A 25 -3.479 -7.927 -3.986 1.00 0.00 C ATOM 0 HA PRO A 25 -0.857 -6.077 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.948 -7.833 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.735 -8.316 -5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.444 -9.196 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.255 -9.613 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.460 -7.624 -4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.639 -8.462 -3.050 1.00 0.00 H new ATOM 375 N PRO A 26 -1.819 -5.057 -6.985 1.00 0.00 N ATOM 376 CA PRO A 26 -2.373 -4.101 -7.946 1.00 0.00 C ATOM 377 C PRO A 26 -3.323 -4.756 -8.940 1.00 0.00 C ATOM 378 O PRO A 26 -4.206 -4.105 -9.497 1.00 0.00 O ATOM 379 CB PRO A 26 -1.134 -3.571 -8.658 1.00 0.00 C ATOM 380 CG PRO A 26 -0.177 -4.707 -8.617 1.00 0.00 C ATOM 381 CD PRO A 26 -0.426 -5.417 -7.312 1.00 0.00 C ATOM 0 HA PRO A 26 -2.969 -3.329 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.359 -3.276 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.731 -2.692 -8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.333 -5.378 -9.462 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.852 -4.352 -8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.303 -6.495 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.266 -5.088 -6.537 1.00 0.00 H new ATOM 389 N CYS A 27 -3.130 -6.049 -9.156 1.00 0.00 N ATOM 390 CA CYS A 27 -3.957 -6.805 -10.081 1.00 0.00 C ATOM 391 C CYS A 27 -5.110 -7.489 -9.353 1.00 0.00 C ATOM 392 O CYS A 27 -5.199 -7.443 -8.126 1.00 0.00 O ATOM 393 CB CYS A 27 -3.114 -7.840 -10.822 1.00 0.00 C ATOM 394 SG CYS A 27 -3.041 -7.587 -12.611 1.00 0.00 S ATOM 0 H CYS A 27 -2.402 -6.598 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.378 -6.107 -10.805 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.100 -7.822 -10.421 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.518 -8.833 -10.622 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.303 -8.511 -13.150 1.00 0.00 H new ATOM 400 N GLY A 28 -5.991 -8.125 -10.119 1.00 0.00 N ATOM 401 CA GLY A 28 -7.127 -8.813 -9.533 1.00 0.00 C ATOM 402 C GLY A 28 -7.994 -7.896 -8.692 1.00 0.00 C ATOM 403 O GLY A 28 -8.698 -8.353 -7.791 1.00 0.00 O ATOM 0 H GLY A 28 -5.938 -8.176 -11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.731 -9.250 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.769 -9.636 -8.915 1.00 0.00 H new ATOM 407 N ARG A 29 -7.947 -6.601 -8.986 1.00 0.00 N ATOM 408 CA ARG A 29 -8.735 -5.623 -8.253 1.00 0.00 C ATOM 409 C ARG A 29 -8.908 -4.343 -9.065 1.00 0.00 C ATOM 410 O ARG A 29 -8.068 -3.444 -9.012 1.00 0.00 O ATOM 411 CB ARG A 29 -8.075 -5.306 -6.909 1.00 0.00 C ATOM 412 CG ARG A 29 -9.069 -5.093 -5.779 1.00 0.00 C ATOM 413 CD ARG A 29 -8.526 -5.608 -4.456 1.00 0.00 C ATOM 414 NE ARG A 29 -8.386 -7.063 -4.451 1.00 0.00 N ATOM 415 CZ ARG A 29 -9.415 -7.906 -4.413 1.00 0.00 C ATOM 416 NH1 ARG A 29 -10.659 -7.446 -4.377 1.00 0.00 N ATOM 417 NH2 ARG A 29 -9.199 -9.215 -4.411 1.00 0.00 N ATOM 0 H ARG A 29 -7.370 -6.206 -9.728 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.721 -6.051 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.403 -6.122 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.462 -4.411 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.299 -4.031 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.003 -5.603 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.557 -5.150 -4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.192 -5.305 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.445 -7.455 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.831 -6.441 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.443 -8.098 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.245 -9.574 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.987 -9.862 -4.382 1.00 0.00 H new ATOM 431 N ARG A 30 -10.003 -4.267 -9.814 1.00 0.00 N ATOM 432 CA ARG A 30 -10.287 -3.097 -10.635 1.00 0.00 C ATOM 433 C ARG A 30 -10.468 -1.856 -9.768 1.00 0.00 C ATOM 434 O ARG A 30 -10.821 -1.954 -8.593 1.00 0.00 O ATOM 435 CB ARG A 30 -11.542 -3.332 -11.478 1.00 0.00 C ATOM 436 CG ARG A 30 -11.477 -2.694 -12.856 1.00 0.00 C ATOM 437 CD ARG A 30 -12.655 -3.114 -13.720 1.00 0.00 C ATOM 438 NE ARG A 30 -12.313 -4.222 -14.609 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.190 -4.835 -15.402 1.00 0.00 C ATOM 440 NH1 ARG A 30 -14.461 -4.451 -15.419 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.795 -5.833 -16.180 1.00 0.00 N ATOM 0 H ARG A 30 -10.708 -5.002 -9.869 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.438 -2.934 -11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.698 -4.405 -11.590 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.407 -2.938 -10.945 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.467 -1.609 -12.756 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.546 -2.978 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.488 -3.406 -13.080 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.991 -2.264 -14.313 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.346 -4.545 -14.623 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.770 -3.683 -14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.129 -4.924 -16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.820 -6.131 -16.171 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.466 -6.303 -16.787 1.00 0.00 H new ATOM 455 N LYS A 31 -10.223 -0.689 -10.354 1.00 0.00 N ATOM 456 CA LYS A 31 -10.358 0.570 -9.633 1.00 0.00 C ATOM 457 C LYS A 31 -11.804 0.799 -9.203 1.00 0.00 C ATOM 458 O LYS A 31 -12.616 1.315 -9.971 1.00 0.00 O ATOM 459 CB LYS A 31 -9.882 1.735 -10.503 1.00 0.00 C ATOM 460 CG LYS A 31 -8.394 1.695 -10.811 1.00 0.00 C ATOM 461 CD LYS A 31 -8.096 2.254 -12.193 1.00 0.00 C ATOM 462 CE LYS A 31 -7.007 1.457 -12.893 1.00 0.00 C ATOM 463 NZ LYS A 31 -7.572 0.463 -13.848 1.00 0.00 N ATOM 0 H LYS A 31 -9.930 -0.589 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.736 0.516 -8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.439 1.729 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.115 2.673 -9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.850 2.269 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.036 0.667 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.004 2.239 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.787 3.296 -12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.345 2.138 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.400 0.941 -12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.797 -0.059 -14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.183 -0.203 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.131 0.957 -14.573 1.00 0.00 H new ATOM 477 N ILE A 32 -12.118 0.410 -7.971 1.00 0.00 N ATOM 478 CA ILE A 32 -13.463 0.571 -7.439 1.00 0.00 C ATOM 479 C ILE A 32 -13.725 2.015 -7.027 1.00 0.00 C ATOM 480 O ILE A 32 -12.793 2.804 -6.869 1.00 0.00 O ATOM 481 CB ILE A 32 -13.718 -0.343 -6.231 1.00 0.00 C ATOM 482 CG1 ILE A 32 -12.945 -1.658 -6.366 1.00 0.00 C ATOM 483 CG2 ILE A 32 -15.208 -0.612 -6.078 1.00 0.00 C ATOM 484 CD1 ILE A 32 -11.646 -1.678 -5.588 1.00 0.00 C ATOM 0 H ILE A 32 -11.457 -0.019 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.144 0.290 -8.242 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.361 0.166 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.577 -2.478 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.731 -1.838 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.374 -1.261 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.734 0.331 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.584 -1.099 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.152 -2.639 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.996 -0.880 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.854 -1.530 -4.528 1.00 0.00 H new ATOM 496 N ILE A 33 -14.998 2.354 -6.851 1.00 0.00 N ATOM 497 CA ILE A 33 -15.381 3.702 -6.455 1.00 0.00 C ATOM 498 C ILE A 33 -16.889 3.789 -6.206 1.00 0.00 C ATOM 499 O ILE A 33 -17.694 3.465 -7.079 1.00 0.00 O ATOM 500 CB ILE A 33 -14.940 4.742 -7.517 1.00 0.00 C ATOM 501 CG1 ILE A 33 -14.552 6.062 -6.845 1.00 0.00 C ATOM 502 CG2 ILE A 33 -16.022 4.966 -8.567 1.00 0.00 C ATOM 503 CD1 ILE A 33 -15.723 6.813 -6.249 1.00 0.00 C ATOM 0 H ILE A 33 -15.781 1.713 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.867 3.935 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 33 -14.065 4.343 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.825 5.858 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.058 6.700 -7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -15.677 5.701 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -16.236 4.026 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -16.928 5.332 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.368 7.737 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -16.441 7.050 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -16.204 6.195 -5.491 1.00 0.00 H new ATOM 515 N LEU A 34 -17.260 4.209 -5.001 1.00 0.00 N ATOM 516 CA LEU A 34 -18.659 4.323 -4.621 1.00 0.00 C ATOM 517 C LEU A 34 -19.187 5.742 -4.827 1.00 0.00 C ATOM 518 O LEU A 34 -20.025 6.217 -4.060 1.00 0.00 O ATOM 519 CB LEU A 34 -18.847 3.897 -3.165 1.00 0.00 C ATOM 520 CG LEU A 34 -19.758 2.686 -2.958 1.00 0.00 C ATOM 521 CD1 LEU A 34 -18.993 1.395 -3.203 1.00 0.00 C ATOM 522 CD2 LEU A 34 -20.350 2.699 -1.556 1.00 0.00 C ATOM 0 H LEU A 34 -16.604 4.477 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.233 3.659 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.869 3.674 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.254 4.739 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.575 2.742 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.657 0.544 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.617 1.384 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.156 1.331 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.996 1.831 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.546 2.667 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.933 3.609 -1.416 1.00 0.00 H new ATOM 534 N SER A 35 -18.695 6.417 -5.863 1.00 0.00 N ATOM 535 CA SER A 35 -19.120 7.779 -6.162 1.00 0.00 C ATOM 536 C SER A 35 -20.640 7.904 -6.129 1.00 0.00 C ATOM 537 O SER A 35 -21.182 8.967 -5.824 1.00 0.00 O ATOM 538 CB SER A 35 -18.590 8.206 -7.530 1.00 0.00 C ATOM 539 OG SER A 35 -18.245 7.082 -8.319 1.00 0.00 O ATOM 0 H SER A 35 -18.001 6.041 -6.509 1.00 0.00 H new ATOM 0 HA SER A 35 -18.709 8.436 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.345 8.798 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.717 8.845 -7.401 1.00 0.00 H new ATOM 0 HG SER A 35 -17.911 7.384 -9.189 1.00 0.00 H new ATOM 545 N ASP A 36 -21.318 6.810 -6.443 1.00 0.00 N ATOM 546 CA ASP A 36 -22.772 6.784 -6.451 1.00 0.00 C ATOM 547 C ASP A 36 -23.323 6.739 -5.029 1.00 0.00 C ATOM 548 O ASP A 36 -24.141 7.573 -4.643 1.00 0.00 O ATOM 549 CB ASP A 36 -23.277 5.578 -7.247 1.00 0.00 C ATOM 550 CG ASP A 36 -23.710 5.952 -8.651 1.00 0.00 C ATOM 551 OD1 ASP A 36 -22.858 5.918 -9.564 1.00 0.00 O ATOM 552 OD2 ASP A 36 -24.900 6.280 -8.838 1.00 0.00 O ATOM 0 H ASP A 36 -20.881 5.924 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 36 -23.125 7.698 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.490 4.826 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.116 5.124 -6.720 1.00 0.00 H new ATOM 557 N GLU A 37 -22.867 5.759 -4.256 1.00 0.00 N ATOM 558 CA GLU A 37 -23.313 5.601 -2.877 1.00 0.00 C ATOM 559 C GLU A 37 -22.848 6.766 -2.008 1.00 0.00 C ATOM 560 O GLU A 37 -23.426 7.036 -0.955 1.00 0.00 O ATOM 561 CB GLU A 37 -22.804 4.281 -2.304 1.00 0.00 C ATOM 562 CG GLU A 37 -23.911 3.325 -1.903 1.00 0.00 C ATOM 563 CD GLU A 37 -23.869 2.021 -2.677 1.00 0.00 C ATOM 564 OE1 GLU A 37 -24.172 2.040 -3.889 1.00 0.00 O ATOM 565 OE2 GLU A 37 -23.533 0.982 -2.072 1.00 0.00 O ATOM 0 H GLU A 37 -22.188 5.062 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.403 5.593 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -22.167 3.796 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -22.182 4.489 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.833 3.112 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -24.876 3.806 -2.062 1.00 0.00 H new ATOM 572 N GLY A 38 -21.802 7.452 -2.454 1.00 0.00 N ATOM 573 CA GLY A 38 -21.280 8.578 -1.704 1.00 0.00 C ATOM 574 C GLY A 38 -20.687 8.165 -0.372 1.00 0.00 C ATOM 575 O GLY A 38 -20.619 8.965 0.561 1.00 0.00 O ATOM 0 H GLY A 38 -21.306 7.248 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.517 9.082 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.080 9.299 -1.534 1.00 0.00 H new ATOM 579 N LYS A 39 -20.246 6.918 -0.292 1.00 0.00 N ATOM 580 CA LYS A 39 -19.642 6.394 0.913 1.00 0.00 C ATOM 581 C LYS A 39 -18.545 5.402 0.559 1.00 0.00 C ATOM 582 O LYS A 39 -18.792 4.205 0.412 1.00 0.00 O ATOM 583 CB LYS A 39 -20.697 5.723 1.796 1.00 0.00 C ATOM 584 CG LYS A 39 -21.364 6.675 2.775 1.00 0.00 C ATOM 585 CD LYS A 39 -22.632 7.277 2.191 1.00 0.00 C ATOM 586 CE LYS A 39 -23.864 6.487 2.602 1.00 0.00 C ATOM 587 NZ LYS A 39 -24.504 7.051 3.823 1.00 0.00 N ATOM 0 H LYS A 39 -20.299 6.248 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 39 -19.203 7.222 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -21.460 5.275 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.230 4.911 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -21.603 6.143 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -20.669 7.473 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -22.733 8.310 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -22.558 7.299 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.583 6.485 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.585 5.449 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -25.340 6.484 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.826 7.030 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -24.793 8.033 3.641 1.00 0.00 H new ATOM 601 N MET A 40 -17.334 5.914 0.431 1.00 0.00 N ATOM 602 CA MET A 40 -16.182 5.096 0.103 1.00 0.00 C ATOM 603 C MET A 40 -14.921 5.671 0.733 1.00 0.00 C ATOM 604 O MET A 40 -14.198 6.448 0.109 1.00 0.00 O ATOM 605 CB MET A 40 -16.012 4.994 -1.414 1.00 0.00 C ATOM 606 CG MET A 40 -15.532 3.630 -1.882 1.00 0.00 C ATOM 607 SD MET A 40 -13.978 3.139 -1.109 1.00 0.00 S ATOM 608 CE MET A 40 -12.821 3.471 -2.435 1.00 0.00 C ATOM 0 H MET A 40 -17.123 6.905 0.551 1.00 0.00 H new ATOM 0 HA MET A 40 -16.348 4.096 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.964 5.219 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.302 5.753 -1.743 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.295 2.884 -1.660 1.00 0.00 H new ATOM 0 HG3 MET A 40 -15.406 3.645 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.812 3.217 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.084 2.870 -3.306 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.862 4.528 -2.698 1.00 0.00 H new ATOM 618 N TYR A 41 -14.665 5.283 1.974 1.00 0.00 N ATOM 619 CA TYR A 41 -13.495 5.755 2.700 1.00 0.00 C ATOM 620 C TYR A 41 -12.214 5.173 2.110 1.00 0.00 C ATOM 621 O TYR A 41 -12.256 4.245 1.302 1.00 0.00 O ATOM 622 CB TYR A 41 -13.605 5.391 4.178 1.00 0.00 C ATOM 623 CG TYR A 41 -13.642 6.591 5.097 1.00 0.00 C ATOM 624 CD1 TYR A 41 -14.842 7.223 5.398 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.476 7.092 5.663 1.00 0.00 C ATOM 626 CE1 TYR A 41 -14.879 8.321 6.238 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.505 8.189 6.504 1.00 0.00 C ATOM 628 CZ TYR A 41 -13.708 8.799 6.787 1.00 0.00 C ATOM 629 OH TYR A 41 -13.741 9.892 7.624 1.00 0.00 O ATOM 0 H TYR A 41 -15.255 4.639 2.501 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.453 6.840 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.507 4.799 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.759 4.760 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.761 6.851 4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.532 6.617 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.820 8.801 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.590 8.566 6.937 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.832 10.100 7.926 1.00 0.00 H new ATOM 639 N GLY A 42 -11.076 5.726 2.518 1.00 0.00 N ATOM 640 CA GLY A 42 -9.799 5.252 2.019 1.00 0.00 C ATOM 641 C GLY A 42 -9.563 3.785 2.321 1.00 0.00 C ATOM 642 O GLY A 42 -9.418 3.399 3.481 1.00 0.00 O ATOM 0 H GLY A 42 -11.016 6.495 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.753 5.409 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.998 5.844 2.462 1.00 0.00 H new ATOM 646 N ARG A 43 -9.521 2.967 1.275 1.00 0.00 N ATOM 647 CA ARG A 43 -9.298 1.535 1.431 1.00 0.00 C ATOM 648 C ARG A 43 -7.934 1.260 2.044 1.00 0.00 C ATOM 649 O ARG A 43 -7.751 0.279 2.760 1.00 0.00 O ATOM 650 CB ARG A 43 -9.425 0.829 0.083 1.00 0.00 C ATOM 651 CG ARG A 43 -10.578 -0.160 0.019 1.00 0.00 C ATOM 652 CD ARG A 43 -10.674 -0.823 -1.347 1.00 0.00 C ATOM 653 NE ARG A 43 -9.362 -1.196 -1.873 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.593 -0.387 -2.601 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.000 0.842 -2.899 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.413 -0.809 -3.034 1.00 0.00 N ATOM 0 H ARG A 43 -9.639 3.272 0.309 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.059 1.144 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.556 1.577 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.494 0.303 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.446 -0.923 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.513 0.355 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.301 -1.712 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.164 -0.144 -2.045 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.014 -2.133 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.907 1.173 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.405 1.455 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.095 -1.752 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.823 -0.191 -3.591 1.00 0.00 H new ATOM 670 N ASN A 44 -6.983 2.137 1.765 1.00 0.00 N ATOM 671 CA ASN A 44 -5.633 1.992 2.294 1.00 0.00 C ATOM 672 C ASN A 44 -5.651 1.882 3.814 1.00 0.00 C ATOM 673 O ASN A 44 -4.738 1.320 4.418 1.00 0.00 O ATOM 674 CB ASN A 44 -4.763 3.169 1.861 1.00 0.00 C ATOM 675 CG ASN A 44 -3.640 2.750 0.932 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.616 1.624 0.435 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.701 3.658 0.694 1.00 0.00 N ATOM 0 H ASN A 44 -7.119 2.958 1.175 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.209 1.073 1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.385 3.912 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.340 3.648 2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.920 3.434 0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.761 4.579 1.128 1.00 0.00 H new ATOM 684 N GLU A 45 -6.700 2.415 4.425 1.00 0.00 N ATOM 685 CA GLU A 45 -6.838 2.368 5.872 1.00 0.00 C ATOM 686 C GLU A 45 -7.036 0.935 6.341 1.00 0.00 C ATOM 687 O GLU A 45 -6.605 0.560 7.431 1.00 0.00 O ATOM 688 CB GLU A 45 -8.009 3.240 6.329 1.00 0.00 C ATOM 689 CG GLU A 45 -7.705 4.729 6.303 1.00 0.00 C ATOM 690 CD GLU A 45 -8.955 5.581 6.405 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.568 5.608 7.493 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.321 6.221 5.397 1.00 0.00 O ATOM 0 H GLU A 45 -7.466 2.884 3.941 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.922 2.757 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.870 3.042 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.291 2.953 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.035 4.974 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.178 4.972 5.380 1.00 0.00 H new ATOM 699 N LEU A 46 -7.682 0.137 5.503 1.00 0.00 N ATOM 700 CA LEU A 46 -7.930 -1.255 5.816 1.00 0.00 C ATOM 701 C LEU A 46 -6.624 -2.013 5.913 1.00 0.00 C ATOM 702 O LEU A 46 -6.330 -2.667 6.914 1.00 0.00 O ATOM 703 CB LEU A 46 -8.843 -1.876 4.753 1.00 0.00 C ATOM 704 CG LEU A 46 -8.180 -2.389 3.467 1.00 0.00 C ATOM 705 CD1 LEU A 46 -7.587 -3.774 3.685 1.00 0.00 C ATOM 706 CD2 LEU A 46 -9.186 -2.417 2.326 1.00 0.00 C ATOM 0 H LEU A 46 -8.044 0.436 4.597 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.431 -1.318 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.377 -2.708 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.590 -1.133 4.474 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.372 -1.707 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.122 -4.120 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.837 -3.728 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.377 -4.467 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.700 -2.783 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.013 -3.077 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.566 -1.411 2.152 1.00 0.00 H new ATOM 718 N ILE A 47 -5.850 -1.902 4.861 1.00 0.00 N ATOM 719 CA ILE A 47 -4.553 -2.555 4.786 1.00 0.00 C ATOM 720 C ILE A 47 -3.638 -2.030 5.877 1.00 0.00 C ATOM 721 O ILE A 47 -2.895 -2.782 6.508 1.00 0.00 O ATOM 722 CB ILE A 47 -3.901 -2.355 3.398 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.213 -3.644 2.947 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.911 -1.195 3.405 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.174 -4.778 2.668 1.00 0.00 C ATOM 0 H ILE A 47 -6.094 -1.360 4.032 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.706 -3.624 4.933 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.692 -2.108 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.633 -3.441 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.508 -3.958 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.473 -1.085 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.430 -0.276 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.122 -1.394 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.615 -5.659 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.736 -5.009 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.864 -4.484 1.877 1.00 0.00 H new ATOM 737 N ALA A 48 -3.713 -0.729 6.093 1.00 0.00 N ATOM 738 CA ALA A 48 -2.908 -0.078 7.112 1.00 0.00 C ATOM 739 C ALA A 48 -3.340 -0.522 8.503 1.00 0.00 C ATOM 740 O ALA A 48 -2.553 -0.490 9.449 1.00 0.00 O ATOM 741 CB ALA A 48 -2.994 1.434 6.976 1.00 0.00 C ATOM 0 H ALA A 48 -4.326 -0.100 5.574 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.869 -0.374 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.385 1.904 7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.629 1.732 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.031 1.751 7.089 1.00 0.00 H new ATOM 747 N ARG A 49 -4.591 -0.952 8.617 1.00 0.00 N ATOM 748 CA ARG A 49 -5.116 -1.420 9.889 1.00 0.00 C ATOM 749 C ARG A 49 -4.495 -2.761 10.248 1.00 0.00 C ATOM 750 O ARG A 49 -4.321 -3.088 11.422 1.00 0.00 O ATOM 751 CB ARG A 49 -6.640 -1.540 9.833 1.00 0.00 C ATOM 752 CG ARG A 49 -7.290 -1.677 11.200 1.00 0.00 C ATOM 753 CD ARG A 49 -8.807 -1.638 11.101 1.00 0.00 C ATOM 754 NE ARG A 49 -9.443 -2.474 12.116 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.487 -3.803 12.060 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.934 -4.451 11.042 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.087 -4.488 13.025 1.00 0.00 N ATOM 0 H ARG A 49 -5.257 -0.985 7.845 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.858 -0.693 10.659 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.047 -0.661 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.906 -2.405 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.978 -2.615 11.660 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.946 -0.873 11.850 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.151 -0.610 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.114 -1.973 10.110 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.879 -2.012 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.472 -3.930 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.971 -5.470 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.514 -3.996 13.810 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.121 -5.507 12.982 1.00 0.00 H new ATOM 771 N TYR A 50 -4.148 -3.525 9.221 1.00 0.00 N ATOM 772 CA TYR A 50 -3.527 -4.826 9.409 1.00 0.00 C ATOM 773 C TYR A 50 -2.130 -4.669 9.973 1.00 0.00 C ATOM 774 O TYR A 50 -1.789 -5.245 11.005 1.00 0.00 O ATOM 775 CB TYR A 50 -3.467 -5.580 8.091 1.00 0.00 C ATOM 776 CG TYR A 50 -3.356 -7.079 8.251 1.00 0.00 C ATOM 777 CD1 TYR A 50 -4.490 -7.872 8.374 1.00 0.00 C ATOM 778 CD2 TYR A 50 -2.114 -7.700 8.278 1.00 0.00 C ATOM 779 CE1 TYR A 50 -4.388 -9.243 8.521 1.00 0.00 C ATOM 780 CE2 TYR A 50 -2.004 -9.069 8.424 1.00 0.00 C ATOM 781 CZ TYR A 50 -3.143 -9.836 8.545 1.00 0.00 C ATOM 782 OH TYR A 50 -3.038 -11.200 8.690 1.00 0.00 O ATOM 0 H TYR A 50 -4.288 -3.263 8.245 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.132 -5.394 10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.361 -5.351 7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.613 -5.221 7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.466 -7.410 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.219 -7.102 8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.279 -9.846 8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.030 -9.536 8.443 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.092 -11.458 8.686 1.00 0.00 H new ATOM 792 N ILE A 51 -1.333 -3.873 9.286 1.00 0.00 N ATOM 793 CA ILE A 51 0.032 -3.614 9.706 1.00 0.00 C ATOM 794 C ILE A 51 0.049 -2.895 11.046 1.00 0.00 C ATOM 795 O ILE A 51 0.962 -3.073 11.852 1.00 0.00 O ATOM 796 CB ILE A 51 0.815 -2.777 8.669 1.00 0.00 C ATOM 797 CG1 ILE A 51 -0.127 -1.941 7.796 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.679 -3.682 7.803 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.567 -0.808 7.072 1.00 0.00 C ATOM 0 H ILE A 51 -1.609 -3.392 8.430 1.00 0.00 H new ATOM 0 HA ILE A 51 0.522 -4.583 9.798 1.00 0.00 H new ATOM 0 HB ILE A 51 1.460 -2.088 9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.604 -2.592 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.920 -1.530 8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.225 -3.079 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.387 -4.220 8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.045 -4.396 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.160 -0.259 6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.020 -0.135 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.342 -1.213 6.421 1.00 0.00 H new ATOM 811 N LYS A 52 -0.977 -2.088 11.276 1.00 0.00 N ATOM 812 CA LYS A 52 -1.102 -1.341 12.517 1.00 0.00 C ATOM 813 C LYS A 52 -1.495 -2.263 13.666 1.00 0.00 C ATOM 814 O LYS A 52 -1.169 -2.005 14.824 1.00 0.00 O ATOM 815 CB LYS A 52 -2.136 -0.225 12.364 1.00 0.00 C ATOM 816 CG LYS A 52 -2.317 0.616 13.617 1.00 0.00 C ATOM 817 CD LYS A 52 -1.531 1.915 13.536 1.00 0.00 C ATOM 818 CE LYS A 52 -2.304 3.072 14.147 1.00 0.00 C ATOM 819 NZ LYS A 52 -2.368 2.975 15.632 1.00 0.00 N ATOM 0 H LYS A 52 -1.738 -1.934 10.615 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.133 -0.897 12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.837 0.425 11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.095 -0.665 12.091 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.375 0.838 13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.992 0.047 14.488 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.579 1.798 14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.302 2.139 12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.832 4.013 13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.315 3.088 13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.903 3.783 16.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.841 2.089 15.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.404 2.986 16.022 1.00 0.00 H new ATOM 833 N LEU A 53 -2.198 -3.338 13.333 1.00 0.00 N ATOM 834 CA LEU A 53 -2.641 -4.301 14.328 1.00 0.00 C ATOM 835 C LEU A 53 -1.582 -5.370 14.573 1.00 0.00 C ATOM 836 O LEU A 53 -1.523 -5.966 15.648 1.00 0.00 O ATOM 837 CB LEU A 53 -3.953 -4.955 13.890 1.00 0.00 C ATOM 838 CG LEU A 53 -4.813 -5.507 15.027 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.217 -5.817 14.532 1.00 0.00 C ATOM 840 CD2 LEU A 53 -4.170 -6.749 15.625 1.00 0.00 C ATOM 0 H LEU A 53 -2.474 -3.564 12.377 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.805 -3.763 15.262 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.539 -4.222 13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.724 -5.768 13.201 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.884 -4.748 15.806 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.815 -6.209 15.355 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.678 -4.906 14.151 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.166 -6.559 13.735 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.795 -7.129 16.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.069 -7.513 14.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.185 -6.496 16.017 1.00 0.00 H new ATOM 852 N ARG A 54 -0.750 -5.609 13.567 1.00 0.00 N ATOM 853 CA ARG A 54 0.305 -6.608 13.668 1.00 0.00 C ATOM 854 C ARG A 54 1.398 -6.155 14.623 1.00 0.00 C ATOM 855 O ARG A 54 1.688 -6.816 15.620 1.00 0.00 O ATOM 856 CB ARG A 54 0.902 -6.892 12.288 1.00 0.00 C ATOM 857 CG ARG A 54 1.875 -8.059 12.276 1.00 0.00 C ATOM 858 CD ARG A 54 3.002 -7.834 11.281 1.00 0.00 C ATOM 859 NE ARG A 54 4.241 -8.487 11.699 1.00 0.00 N ATOM 860 CZ ARG A 54 4.468 -9.793 11.580 1.00 0.00 C ATOM 861 NH1 ARG A 54 3.544 -10.589 11.055 1.00 0.00 N ATOM 862 NH2 ARG A 54 5.622 -10.305 11.985 1.00 0.00 N ATOM 0 H ARG A 54 -0.786 -5.123 12.671 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.136 -7.524 14.062 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.093 -7.097 11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.415 -5.998 11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.291 -8.197 13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.342 -8.976 12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.704 -8.214 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.177 -6.764 11.167 1.00 0.00 H new ATOM 0 HE ARG A 54 4.975 -7.908 12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.655 -10.200 10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.723 -11.589 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.336 -9.698 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.796 -11.306 11.894 1.00 0.00 H new ATOM 876 N THR A 55 1.999 -5.023 14.303 1.00 0.00 N ATOM 877 CA THR A 55 3.066 -4.460 15.117 1.00 0.00 C ATOM 878 C THR A 55 2.510 -3.809 16.380 1.00 0.00 C ATOM 879 O THR A 55 3.219 -3.652 17.374 1.00 0.00 O ATOM 880 CB THR A 55 3.868 -3.438 14.308 1.00 0.00 C ATOM 881 OG1 THR A 55 3.117 -2.974 13.201 1.00 0.00 O ATOM 882 CG2 THR A 55 5.175 -3.987 13.779 1.00 0.00 C ATOM 0 H THR A 55 1.765 -4.470 13.478 1.00 0.00 H new ATOM 0 HA THR A 55 3.726 -5.274 15.416 1.00 0.00 H new ATOM 0 HB THR A 55 4.088 -2.628 15.003 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.311 -2.026 13.049 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.694 -3.212 13.215 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.799 -4.308 14.613 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.975 -4.837 13.127 1.00 0.00 H new ATOM 890 N GLY A 56 1.237 -3.433 16.333 1.00 0.00 N ATOM 891 CA GLY A 56 0.605 -2.805 17.474 1.00 0.00 C ATOM 892 C GLY A 56 1.020 -1.356 17.660 1.00 0.00 C ATOM 893 O GLY A 56 0.600 -0.705 18.617 1.00 0.00 O ATOM 0 H GLY A 56 0.631 -3.553 15.521 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.477 -2.855 17.356 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.853 -3.367 18.375 1.00 0.00 H new ATOM 897 N LYS A 57 1.843 -0.846 16.747 1.00 0.00 N ATOM 898 CA LYS A 57 2.306 0.530 16.823 1.00 0.00 C ATOM 899 C LYS A 57 2.996 0.946 15.527 1.00 0.00 C ATOM 900 O LYS A 57 4.215 0.827 15.394 1.00 0.00 O ATOM 901 CB LYS A 57 3.258 0.699 18.001 1.00 0.00 C ATOM 902 CG LYS A 57 2.967 1.926 18.849 1.00 0.00 C ATOM 903 CD LYS A 57 4.031 2.133 19.914 1.00 0.00 C ATOM 904 CE LYS A 57 5.058 3.167 19.482 1.00 0.00 C ATOM 905 NZ LYS A 57 5.519 4.003 20.625 1.00 0.00 N ATOM 0 H LYS A 57 2.201 -1.368 15.947 1.00 0.00 H new ATOM 0 HA LYS A 57 1.439 1.174 16.970 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.204 -0.189 18.631 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.279 0.761 17.626 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.915 2.807 18.210 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.992 1.818 19.324 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.560 2.453 20.843 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.531 1.186 20.120 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.914 2.663 19.033 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.626 3.809 18.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.218 4.695 20.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.707 4.504 21.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.954 3.394 21.347 1.00 0.00 H new ATOM 919 N THR A 58 2.210 1.437 14.576 1.00 0.00 N ATOM 920 CA THR A 58 2.741 1.874 13.295 1.00 0.00 C ATOM 921 C THR A 58 1.918 3.024 12.724 1.00 0.00 C ATOM 922 O THR A 58 0.811 3.300 13.186 1.00 0.00 O ATOM 923 CB THR A 58 2.780 0.715 12.302 1.00 0.00 C ATOM 924 OG1 THR A 58 2.515 -0.517 12.950 1.00 0.00 O ATOM 925 CG2 THR A 58 4.109 0.584 11.588 1.00 0.00 C ATOM 0 H THR A 58 1.200 1.542 14.671 1.00 0.00 H new ATOM 0 HA THR A 58 3.759 2.228 13.461 1.00 0.00 H new ATOM 0 HB THR A 58 2.010 0.943 11.565 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.945 -1.072 12.377 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.069 -0.258 10.897 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.316 1.499 11.033 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.900 0.417 12.319 1.00 0.00 H new ATOM 933 N ARG A 59 2.462 3.678 11.705 1.00 0.00 N ATOM 934 CA ARG A 59 1.784 4.781 11.052 1.00 0.00 C ATOM 935 C ARG A 59 2.301 4.938 9.630 1.00 0.00 C ATOM 936 O ARG A 59 2.951 5.928 9.294 1.00 0.00 O ATOM 937 CB ARG A 59 1.987 6.078 11.838 1.00 0.00 C ATOM 938 CG ARG A 59 0.790 7.013 11.789 1.00 0.00 C ATOM 939 CD ARG A 59 0.955 8.074 10.714 1.00 0.00 C ATOM 940 NE ARG A 59 -0.087 9.095 10.788 1.00 0.00 N ATOM 941 CZ ARG A 59 0.008 10.295 10.219 1.00 0.00 C ATOM 942 NH1 ARG A 59 1.095 10.627 9.533 1.00 0.00 N ATOM 943 NH2 ARG A 59 -0.986 11.164 10.335 1.00 0.00 N ATOM 0 H ARG A 59 3.378 3.458 11.314 1.00 0.00 H new ATOM 0 HA ARG A 59 0.716 4.565 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.204 5.833 12.878 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.860 6.598 11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.115 6.437 11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.662 7.493 12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.932 8.545 10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.931 7.602 9.732 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.938 8.876 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.862 9.961 9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.163 11.548 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.824 10.913 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.913 12.083 9.899 1.00 0.00 H new ATOM 957 N THR A 60 2.008 3.947 8.802 1.00 0.00 N ATOM 958 CA THR A 60 2.438 3.955 7.416 1.00 0.00 C ATOM 959 C THR A 60 1.301 3.541 6.485 1.00 0.00 C ATOM 960 O THR A 60 1.178 2.372 6.121 1.00 0.00 O ATOM 961 CB THR A 60 3.639 3.026 7.225 1.00 0.00 C ATOM 962 OG1 THR A 60 3.908 2.298 8.410 1.00 0.00 O ATOM 963 CG2 THR A 60 4.905 3.758 6.838 1.00 0.00 C ATOM 0 H THR A 60 1.470 3.123 9.070 1.00 0.00 H new ATOM 0 HA THR A 60 2.733 4.973 7.162 1.00 0.00 H new ATOM 0 HB THR A 60 3.359 2.359 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.678 1.710 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.718 3.041 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.747 4.287 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.164 4.474 7.618 1.00 0.00 H new ATOM 971 N ARG A 61 0.475 4.510 6.098 1.00 0.00 N ATOM 972 CA ARG A 61 -0.643 4.250 5.208 1.00 0.00 C ATOM 973 C ARG A 61 -0.398 4.869 3.842 1.00 0.00 C ATOM 974 O ARG A 61 -0.730 4.285 2.811 1.00 0.00 O ATOM 975 CB ARG A 61 -1.944 4.787 5.807 1.00 0.00 C ATOM 976 CG ARG A 61 -1.943 6.293 6.016 1.00 0.00 C ATOM 977 CD ARG A 61 -2.559 7.020 4.831 1.00 0.00 C ATOM 978 NE ARG A 61 -3.275 8.225 5.241 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.677 9.372 5.558 1.00 0.00 C ATOM 980 NH1 ARG A 61 -1.354 9.472 5.515 1.00 0.00 N ATOM 981 NH2 ARG A 61 -3.404 10.420 5.919 1.00 0.00 N ATOM 0 H ARG A 61 0.563 5.483 6.390 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.736 3.171 5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.773 4.520 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.123 4.296 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.498 6.536 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.921 6.640 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.775 7.287 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.244 6.350 4.311 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.293 8.186 5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.791 8.668 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.901 10.353 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.421 10.348 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.947 11.299 6.162 1.00 0.00 H new ATOM 995 N LYS A 62 0.194 6.050 3.848 1.00 0.00 N ATOM 996 CA LYS A 62 0.501 6.756 2.615 1.00 0.00 C ATOM 997 C LYS A 62 1.593 6.029 1.843 1.00 0.00 C ATOM 998 O LYS A 62 1.664 6.110 0.616 1.00 0.00 O ATOM 999 CB LYS A 62 0.928 8.191 2.914 1.00 0.00 C ATOM 1000 CG LYS A 62 0.042 9.239 2.261 1.00 0.00 C ATOM 1001 CD LYS A 62 0.642 9.742 0.958 1.00 0.00 C ATOM 1002 CE LYS A 62 1.906 10.551 1.201 1.00 0.00 C ATOM 1003 NZ LYS A 62 1.639 12.015 1.190 1.00 0.00 N ATOM 0 H LYS A 62 0.473 6.543 4.696 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.399 6.783 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.923 8.345 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.954 8.334 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.944 8.815 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.098 10.076 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.870 8.895 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.089 10.357 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.339 10.268 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.644 10.311 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.526 12.531 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.250 12.290 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.955 12.249 1.937 1.00 0.00 H new ATOM 1017 N GLN A 63 2.436 5.311 2.573 1.00 0.00 N ATOM 1018 CA GLN A 63 3.521 4.558 1.966 1.00 0.00 C ATOM 1019 C GLN A 63 2.980 3.351 1.210 1.00 0.00 C ATOM 1020 O GLN A 63 3.584 2.888 0.243 1.00 0.00 O ATOM 1021 CB GLN A 63 4.521 4.113 3.031 1.00 0.00 C ATOM 1022 CG GLN A 63 5.907 4.711 2.851 1.00 0.00 C ATOM 1023 CD GLN A 63 6.891 3.731 2.243 1.00 0.00 C ATOM 1024 OE1 GLN A 63 6.505 2.820 1.511 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.171 3.913 2.545 1.00 0.00 N ATOM 0 H GLN A 63 2.387 5.235 3.589 1.00 0.00 H new ATOM 0 HA GLN A 63 4.034 5.207 1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.140 4.390 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.598 3.026 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.838 5.593 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.283 5.045 3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.446 4.682 3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.879 3.284 2.166 1.00 0.00 H new ATOM 1034 N VAL A 64 1.832 2.852 1.654 1.00 0.00 N ATOM 1035 CA VAL A 64 1.203 1.705 1.016 1.00 0.00 C ATOM 1036 C VAL A 64 0.675 2.075 -0.359 1.00 0.00 C ATOM 1037 O VAL A 64 0.636 1.245 -1.265 1.00 0.00 O ATOM 1038 CB VAL A 64 0.044 1.138 1.860 1.00 0.00 C ATOM 1039 CG1 VAL A 64 -0.503 -0.137 1.232 1.00 0.00 C ATOM 1040 CG2 VAL A 64 0.491 0.884 3.291 1.00 0.00 C ATOM 0 H VAL A 64 1.319 3.225 2.453 1.00 0.00 H new ATOM 0 HA VAL A 64 1.973 0.939 0.923 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.755 1.879 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.320 -0.522 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.870 0.080 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.289 -0.883 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.343 0.484 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.311 0.166 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.826 1.819 3.739 1.00 0.00 H new ATOM 1050 N SER A 65 0.283 3.330 -0.510 1.00 0.00 N ATOM 1051 CA SER A 65 -0.230 3.816 -1.779 1.00 0.00 C ATOM 1052 C SER A 65 0.925 4.133 -2.708 1.00 0.00 C ATOM 1053 O SER A 65 0.845 3.936 -3.921 1.00 0.00 O ATOM 1054 CB SER A 65 -1.104 5.054 -1.573 1.00 0.00 C ATOM 1055 OG SER A 65 -0.701 5.777 -0.423 1.00 0.00 O ATOM 0 H SER A 65 0.311 4.030 0.231 1.00 0.00 H new ATOM 0 HA SER A 65 -0.848 3.039 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.042 5.697 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.147 4.754 -1.471 1.00 0.00 H new ATOM 0 HG SER A 65 0.267 5.929 -0.455 1.00 0.00 H new ATOM 1061 N SER A 66 2.006 4.605 -2.113 1.00 0.00 N ATOM 1062 CA SER A 66 3.208 4.938 -2.848 1.00 0.00 C ATOM 1063 C SER A 66 3.879 3.672 -3.351 1.00 0.00 C ATOM 1064 O SER A 66 4.464 3.645 -4.434 1.00 0.00 O ATOM 1065 CB SER A 66 4.159 5.714 -1.953 1.00 0.00 C ATOM 1066 OG SER A 66 4.751 6.799 -2.646 1.00 0.00 O ATOM 0 H SER A 66 2.073 4.767 -1.108 1.00 0.00 H new ATOM 0 HA SER A 66 2.942 5.557 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.619 6.087 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.938 5.048 -1.583 1.00 0.00 H new ATOM 0 HG SER A 66 5.356 7.280 -2.044 1.00 0.00 H new ATOM 1072 N HIS A 67 3.781 2.623 -2.549 1.00 0.00 N ATOM 1073 CA HIS A 67 4.370 1.338 -2.893 1.00 0.00 C ATOM 1074 C HIS A 67 3.687 0.741 -4.112 1.00 0.00 C ATOM 1075 O HIS A 67 4.339 0.180 -4.991 1.00 0.00 O ATOM 1076 CB HIS A 67 4.276 0.371 -1.711 1.00 0.00 C ATOM 1077 CG HIS A 67 5.381 -0.639 -1.675 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.502 -1.842 -2.286 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.537 -0.465 -0.944 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.716 -2.365 -1.915 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.321 -1.516 -1.106 1.00 0.00 N flip ATOM 0 H HIS A 67 3.297 2.637 -1.651 1.00 0.00 H new ATOM 0 HA HIS A 67 5.421 1.501 -3.130 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.287 0.942 -0.783 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.320 -0.150 -1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.766 0.396 -0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.112 -3.318 -2.234 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.238 -1.649 -0.679 1.00 0.00 H new ATOM 1090 N ILE A 68 2.371 0.876 -4.163 1.00 0.00 N ATOM 1091 CA ILE A 68 1.599 0.357 -5.283 1.00 0.00 C ATOM 1092 C ILE A 68 1.960 1.088 -6.568 1.00 0.00 C ATOM 1093 O ILE A 68 1.843 0.540 -7.664 1.00 0.00 O ATOM 1094 CB ILE A 68 0.081 0.475 -5.038 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.290 -0.129 -3.683 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.695 -0.210 -6.154 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.466 0.554 -3.021 1.00 0.00 C ATOM 0 H ILE A 68 1.815 1.339 -3.444 1.00 0.00 H new ATOM 0 HA ILE A 68 1.850 -0.699 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.185 1.532 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.521 -1.186 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.573 -0.073 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.764 -0.117 -5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.453 0.260 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.424 -1.265 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.674 0.075 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.231 1.605 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.342 0.475 -3.665 1.00 0.00 H new ATOM 1109 N GLN A 69 2.411 2.327 -6.423 1.00 0.00 N ATOM 1110 CA GLN A 69 2.802 3.133 -7.568 1.00 0.00 C ATOM 1111 C GLN A 69 4.075 2.583 -8.199 1.00 0.00 C ATOM 1112 O GLN A 69 4.321 2.769 -9.391 1.00 0.00 O ATOM 1113 CB GLN A 69 3.007 4.590 -7.152 1.00 0.00 C ATOM 1114 CG GLN A 69 1.760 5.238 -6.573 1.00 0.00 C ATOM 1115 CD GLN A 69 1.624 6.696 -6.967 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.262 7.157 -7.914 1.00 0.00 O ATOM 1117 NE2 GLN A 69 0.791 7.430 -6.239 1.00 0.00 N ATOM 0 H GLN A 69 2.515 2.795 -5.522 1.00 0.00 H new ATOM 0 HA GLN A 69 2.001 3.090 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.808 4.639 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.336 5.164 -8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.880 4.691 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.786 5.160 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.283 7.006 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.659 8.418 -6.456 1.00 0.00 H new ATOM 1126 N VAL A 70 4.878 1.900 -7.391 1.00 0.00 N ATOM 1127 CA VAL A 70 6.123 1.316 -7.868 1.00 0.00 C ATOM 1128 C VAL A 70 5.856 0.121 -8.765 1.00 0.00 C ATOM 1129 O VAL A 70 6.402 0.017 -9.863 1.00 0.00 O ATOM 1130 CB VAL A 70 7.034 0.883 -6.712 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.471 0.741 -7.188 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.943 1.861 -5.549 1.00 0.00 C ATOM 0 H VAL A 70 4.688 1.738 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 70 6.632 2.093 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 70 6.693 -0.090 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.102 0.433 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.521 -0.010 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.822 1.698 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.598 1.530 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.250 2.852 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.916 1.902 -5.187 1.00 0.00 H new ATOM 1142 N LEU A 71 5.004 -0.772 -8.293 1.00 0.00 N ATOM 1143 CA LEU A 71 4.649 -1.960 -9.052 1.00 0.00 C ATOM 1144 C LEU A 71 3.816 -1.581 -10.269 1.00 0.00 C ATOM 1145 O LEU A 71 3.831 -2.272 -11.287 1.00 0.00 O ATOM 1146 CB LEU A 71 3.888 -2.971 -8.183 1.00 0.00 C ATOM 1147 CG LEU A 71 3.150 -2.395 -6.971 1.00 0.00 C ATOM 1148 CD1 LEU A 71 1.868 -3.170 -6.709 1.00 0.00 C ATOM 1149 CD2 LEU A 71 4.047 -2.420 -5.742 1.00 0.00 C ATOM 0 H LEU A 71 4.544 -0.697 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 71 5.573 -2.432 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.163 -3.488 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.596 -3.721 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 71 2.888 -1.359 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.357 -2.747 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.219 -3.105 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.108 -4.215 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.508 -2.007 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.338 -3.448 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.939 -1.823 -5.930 1.00 0.00 H new ATOM 1161 N ALA A 72 3.099 -0.470 -10.156 1.00 0.00 N ATOM 1162 CA ALA A 72 2.268 0.015 -11.244 1.00 0.00 C ATOM 1163 C ALA A 72 3.118 0.681 -12.317 1.00 0.00 C ATOM 1164 O ALA A 72 2.745 0.716 -13.489 1.00 0.00 O ATOM 1165 CB ALA A 72 1.217 0.982 -10.719 1.00 0.00 C ATOM 0 H ALA A 72 3.078 0.112 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 72 1.760 -0.838 -11.693 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.603 1.336 -11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.586 0.473 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.709 1.830 -10.243 1.00 0.00 H new ATOM 1171 N ARG A 73 4.266 1.207 -11.905 1.00 0.00 N ATOM 1172 CA ARG A 73 5.176 1.871 -12.824 1.00 0.00 C ATOM 1173 C ARG A 73 5.929 0.855 -13.674 1.00 0.00 C ATOM 1174 O ARG A 73 6.318 1.142 -14.806 1.00 0.00 O ATOM 1175 CB ARG A 73 6.166 2.747 -12.055 1.00 0.00 C ATOM 1176 CG ARG A 73 5.675 4.168 -11.830 1.00 0.00 C ATOM 1177 CD ARG A 73 6.821 5.166 -11.870 1.00 0.00 C ATOM 1178 NE ARG A 73 6.553 6.340 -11.042 1.00 0.00 N ATOM 1179 CZ ARG A 73 7.454 7.285 -10.782 1.00 0.00 C ATOM 1180 NH1 ARG A 73 8.681 7.198 -11.282 1.00 0.00 N ATOM 1181 NH2 ARG A 73 7.128 8.320 -10.020 1.00 0.00 N ATOM 0 H ARG A 73 4.587 1.185 -10.937 1.00 0.00 H new ATOM 0 HA ARG A 73 4.584 2.503 -13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.372 2.286 -11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.109 2.780 -12.601 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.940 4.425 -12.593 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.170 4.231 -10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.736 4.682 -11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.993 5.480 -12.900 1.00 0.00 H new ATOM 0 HE ARG A 73 5.621 6.441 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.937 6.404 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.367 7.925 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.187 8.392 -9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.818 9.044 -9.821 1.00 0.00 H new ATOM 1195 N ARG A 74 6.130 -0.332 -13.118 1.00 0.00 N ATOM 1196 CA ARG A 74 6.836 -1.394 -13.818 1.00 0.00 C ATOM 1197 C ARG A 74 5.934 -2.061 -14.849 1.00 0.00 C ATOM 1198 O ARG A 74 6.402 -2.555 -15.875 1.00 0.00 O ATOM 1199 CB ARG A 74 7.355 -2.435 -12.825 1.00 0.00 C ATOM 1200 CG ARG A 74 8.644 -3.107 -13.266 1.00 0.00 C ATOM 1201 CD ARG A 74 8.703 -4.556 -12.809 1.00 0.00 C ATOM 1202 NE ARG A 74 10.057 -4.958 -12.438 1.00 0.00 N ATOM 1203 CZ ARG A 74 10.418 -6.218 -12.204 1.00 0.00 C ATOM 1204 NH1 ARG A 74 9.530 -7.199 -12.301 1.00 0.00 N ATOM 1205 NH2 ARG A 74 11.671 -6.498 -11.872 1.00 0.00 N ATOM 0 H ARG A 74 5.813 -0.583 -12.182 1.00 0.00 H new ATOM 0 HA ARG A 74 7.683 -0.948 -14.339 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.517 -1.955 -11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.590 -3.197 -12.677 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.725 -3.064 -14.352 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.497 -2.562 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.037 -4.695 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.339 -5.203 -13.607 1.00 0.00 H new ATOM 0 HE ARG A 74 10.768 -4.231 -12.353 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.565 -6.990 -12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.813 -8.162 -12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.358 -5.748 -11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.948 -7.463 -11.693 1.00 0.00 H new ATOM 1219 N LYS A 75 4.640 -2.072 -14.566 1.00 0.00 N ATOM 1220 CA LYS A 75 3.664 -2.676 -15.458 1.00 0.00 C ATOM 1221 C LYS A 75 3.180 -1.677 -16.504 1.00 0.00 C ATOM 1222 O LYS A 75 2.718 -2.062 -17.578 1.00 0.00 O ATOM 1223 CB LYS A 75 2.475 -3.215 -14.661 1.00 0.00 C ATOM 1224 CG LYS A 75 2.713 -4.596 -14.073 1.00 0.00 C ATOM 1225 CD LYS A 75 1.403 -5.297 -13.751 1.00 0.00 C ATOM 1226 CE LYS A 75 1.639 -6.608 -13.018 1.00 0.00 C ATOM 1227 NZ LYS A 75 1.789 -7.752 -13.959 1.00 0.00 N ATOM 0 H LYS A 75 4.240 -1.666 -13.720 1.00 0.00 H new ATOM 0 HA LYS A 75 4.151 -3.503 -15.975 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.245 -2.520 -13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.600 -3.251 -15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.286 -5.199 -14.777 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.313 -4.509 -13.167 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.780 -4.644 -13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.855 -5.488 -14.674 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.535 -6.524 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.806 -6.801 -12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.948 -8.627 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.924 -7.849 -14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.600 -7.581 -14.588 1.00 0.00 H new ATOM 1241 N SER A 76 3.288 -0.394 -16.182 1.00 0.00 N ATOM 1242 CA SER A 76 2.860 0.663 -17.091 1.00 0.00 C ATOM 1243 C SER A 76 3.702 0.675 -18.363 1.00 0.00 C ATOM 1244 O SER A 76 3.315 1.275 -19.366 1.00 0.00 O ATOM 1245 CB SER A 76 2.940 2.024 -16.399 1.00 0.00 C ATOM 1246 OG SER A 76 2.132 2.982 -17.061 1.00 0.00 O ATOM 0 H SER A 76 3.669 -0.059 -15.297 1.00 0.00 H new ATOM 0 HA SER A 76 1.825 0.463 -17.370 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.619 1.927 -15.362 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.975 2.366 -16.382 1.00 0.00 H new ATOM 0 HG SER A 76 2.240 2.887 -18.030 1.00 0.00 H new ATOM 1252 N ARG A 77 4.853 0.010 -18.321 1.00 0.00 N ATOM 1253 CA ARG A 77 5.739 -0.052 -19.477 1.00 0.00 C ATOM 1254 C ARG A 77 5.025 -0.652 -20.686 1.00 0.00 C ATOM 1255 O ARG A 77 5.451 -0.465 -21.825 1.00 0.00 O ATOM 1256 CB ARG A 77 6.986 -0.875 -19.147 1.00 0.00 C ATOM 1257 CG ARG A 77 7.957 -0.163 -18.219 1.00 0.00 C ATOM 1258 CD ARG A 77 9.335 -0.802 -18.259 1.00 0.00 C ATOM 1259 NE ARG A 77 10.402 0.186 -18.115 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.698 -0.118 -18.103 1.00 0.00 C ATOM 1261 NH1 ARG A 77 12.092 -1.380 -18.225 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.602 0.842 -17.968 1.00 0.00 N ATOM 0 H ARG A 77 5.193 -0.492 -17.501 1.00 0.00 H new ATOM 0 HA ARG A 77 6.038 0.966 -19.726 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.680 -1.815 -18.687 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.501 -1.127 -20.074 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.033 0.886 -18.505 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.572 -0.188 -17.199 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.415 -1.541 -17.461 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.460 -1.335 -19.201 1.00 0.00 H new ATOM 0 HE ARG A 77 10.138 1.167 -18.018 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.400 -2.122 -18.329 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.086 -1.607 -18.215 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.304 1.813 -17.873 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.595 0.610 -17.959 1.00 0.00 H new ATOM 1276 N ASP A 78 3.938 -1.374 -20.431 1.00 0.00 N ATOM 1277 CA ASP A 78 3.170 -1.999 -21.496 1.00 0.00 C ATOM 1278 C ASP A 78 2.253 -0.989 -22.171 1.00 0.00 C ATOM 1279 O ASP A 78 2.100 -0.986 -23.392 1.00 0.00 O ATOM 1280 CB ASP A 78 2.353 -3.165 -20.945 1.00 0.00 C ATOM 1281 CG ASP A 78 2.803 -4.502 -21.502 1.00 0.00 C ATOM 1282 OD1 ASP A 78 2.309 -4.893 -22.581 1.00 0.00 O ATOM 1283 OD2 ASP A 78 3.650 -5.158 -20.860 1.00 0.00 O ATOM 0 H ASP A 78 3.571 -1.539 -19.494 1.00 0.00 H new ATOM 0 HA ASP A 78 3.869 -2.377 -22.242 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.436 -3.181 -19.858 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.300 -3.012 -21.182 1.00 0.00 H new