USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 39 GLN : amide:sc= -8.67! C(o=-7.7!,f=-12!) USER MOD Set 1.2: A 59 TYR OH : rot -73:sc= 0.999 USER MOD Single : A 14 SER OG : rot 180:sc= -0.266 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.08! USER MOD Single : A 35 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.3) USER MOD Single : A 36 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 41 HIS : no HE2:sc= -7.83! C(o=-7.8!,f=-17!) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.165 F(o=-0.78,f=-0.17) USER MOD Single : A 47 CYS SG : rot -98:sc= -0.9 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 3:sc= 0.818 USER MOD Single : A 64 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.9) USER MOD Single : A 68 CYS SG : rot 150:sc= -1.81! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -109:sc= 1.12 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 140:sc= -0.269 (180deg=-2.93!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -144:sc= -2.8! (180deg=-4.42!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00198 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -0.069 14.872 -13.313 1.00 0.00 N ATOM 121 CA ARG A 12 -0.661 13.960 -14.276 1.00 0.00 C ATOM 122 C ARG A 12 -0.630 12.527 -13.739 1.00 0.00 C ATOM 123 O ARG A 12 0.417 12.045 -13.308 1.00 0.00 O ATOM 124 CB ARG A 12 0.081 14.013 -15.613 1.00 0.00 C ATOM 125 CG ARG A 12 -0.888 13.839 -16.785 1.00 0.00 C ATOM 126 CD ARG A 12 -0.334 14.487 -18.055 1.00 0.00 C ATOM 127 NE ARG A 12 -1.272 15.520 -18.547 1.00 0.00 N ATOM 128 CZ ARG A 12 -2.475 15.252 -19.075 1.00 0.00 C ATOM 129 NH1 ARG A 12 -2.892 13.984 -19.183 1.00 0.00 N ATOM 130 NH2 ARG A 12 -3.260 16.254 -19.496 1.00 0.00 N ATOM 0 HA ARG A 12 -1.694 14.270 -14.434 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.603 14.966 -15.706 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.839 13.230 -15.644 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.065 12.778 -16.961 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.851 14.285 -16.535 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.638 14.935 -17.850 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.180 13.729 -18.823 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.986 16.497 -18.480 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.294 13.222 -18.864 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.807 13.781 -19.585 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.942 17.220 -19.415 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.175 16.051 -19.898 1.00 0.00 H new ATOM 144 N TRP A 13 -1.789 11.887 -13.784 1.00 0.00 N ATOM 145 CA TRP A 13 -1.907 10.519 -13.308 1.00 0.00 C ATOM 146 C TRP A 13 -2.270 9.633 -14.501 1.00 0.00 C ATOM 147 O TRP A 13 -2.900 10.094 -15.452 1.00 0.00 O ATOM 148 CB TRP A 13 -2.916 10.423 -12.162 1.00 0.00 C ATOM 149 CG TRP A 13 -2.445 11.075 -10.861 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.239 12.377 -10.618 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.128 10.399 -9.626 1.00 0.00 C ATOM 152 NE1 TRP A 13 -1.814 12.589 -9.322 1.00 0.00 N ATOM 153 CE2 TRP A 13 -1.745 11.348 -8.700 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.165 9.032 -9.302 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.368 11.031 -7.389 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.785 8.732 -7.988 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.396 9.674 -7.044 1.00 0.00 C ATOM 0 H TRP A 13 -2.655 12.290 -14.143 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.961 10.172 -12.892 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.850 10.891 -12.474 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.135 9.372 -11.971 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.387 13.162 -11.345 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.592 13.490 -8.899 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.463 8.273 -10.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.072 11.792 -6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.795 7.695 -7.687 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.116 9.361 -6.049 1.00 0.00 H new ATOM 168 N SER A 14 -1.857 8.377 -14.412 1.00 0.00 N ATOM 169 CA SER A 14 -2.131 7.422 -15.472 1.00 0.00 C ATOM 170 C SER A 14 -3.515 6.801 -15.272 1.00 0.00 C ATOM 171 O SER A 14 -4.176 7.059 -14.267 1.00 0.00 O ATOM 172 CB SER A 14 -1.061 6.330 -15.520 1.00 0.00 C ATOM 173 OG SER A 14 -0.346 6.337 -16.753 1.00 0.00 O ATOM 0 H SER A 14 -1.335 7.999 -13.622 1.00 0.00 H new ATOM 0 HA SER A 14 -2.112 7.953 -16.424 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.363 6.470 -14.695 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.530 5.356 -15.378 1.00 0.00 H new ATOM 0 HG SER A 14 0.329 5.627 -16.744 1.00 0.00 H new ATOM 179 N PRO A 15 -3.923 5.972 -16.270 1.00 0.00 N ATOM 180 CA PRO A 15 -5.216 5.312 -16.214 1.00 0.00 C ATOM 181 C PRO A 15 -5.197 4.155 -15.213 1.00 0.00 C ATOM 182 O PRO A 15 -4.141 3.591 -14.930 1.00 0.00 O ATOM 183 CB PRO A 15 -5.490 4.861 -17.639 1.00 0.00 C ATOM 184 CG PRO A 15 -4.145 4.871 -18.346 1.00 0.00 C ATOM 185 CD PRO A 15 -3.167 5.643 -17.475 1.00 0.00 C ATOM 0 HA PRO A 15 -6.010 5.970 -15.860 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.932 3.865 -17.655 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.195 5.531 -18.132 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.791 3.853 -18.508 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.233 5.337 -19.327 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.288 5.043 -17.239 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.813 6.543 -17.979 1.00 0.00 H new ATOM 193 N PRO A 16 -6.410 3.825 -14.692 1.00 0.00 N ATOM 194 CA PRO A 16 -6.542 2.745 -13.730 1.00 0.00 C ATOM 195 C PRO A 16 -6.429 1.382 -14.416 1.00 0.00 C ATOM 196 O PRO A 16 -6.922 1.200 -15.528 1.00 0.00 O ATOM 197 CB PRO A 16 -7.894 2.968 -13.072 1.00 0.00 C ATOM 198 CG PRO A 16 -8.667 3.883 -14.008 1.00 0.00 C ATOM 199 CD PRO A 16 -7.682 4.471 -15.005 1.00 0.00 C ATOM 0 HA PRO A 16 -5.746 2.746 -12.985 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.419 2.024 -12.928 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.779 3.423 -12.088 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.448 3.327 -14.526 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.160 4.676 -13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.988 4.268 -16.031 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.612 5.554 -14.902 1.00 0.00 H new ATOM 207 N ARG A 17 -5.776 0.460 -13.725 1.00 0.00 N ATOM 208 CA ARG A 17 -5.591 -0.881 -14.253 1.00 0.00 C ATOM 209 C ARG A 17 -6.459 -1.879 -13.485 1.00 0.00 C ATOM 210 O ARG A 17 -6.445 -1.901 -12.255 1.00 0.00 O ATOM 211 CB ARG A 17 -4.126 -1.312 -14.161 1.00 0.00 C ATOM 212 CG ARG A 17 -3.445 -0.685 -12.943 1.00 0.00 C ATOM 213 CD ARG A 17 -2.019 -1.213 -12.779 1.00 0.00 C ATOM 214 NE ARG A 17 -1.054 -0.092 -12.836 1.00 0.00 N ATOM 215 CZ ARG A 17 0.270 -0.247 -12.969 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.795 -1.477 -13.059 1.00 0.00 N ATOM 217 NH2 ARG A 17 1.069 0.828 -13.012 1.00 0.00 N ATOM 0 H ARG A 17 -5.368 0.615 -12.803 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.889 -0.868 -15.301 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.066 -2.398 -14.096 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.599 -1.017 -15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.425 0.399 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.023 -0.905 -12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.924 -1.738 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.797 -1.935 -13.565 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.420 0.858 -12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.186 -2.295 -13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.803 -1.595 -13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.669 1.764 -12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.077 0.710 -13.113 1.00 0.00 H new ATOM 231 N GLY A 18 -7.194 -2.681 -14.241 1.00 0.00 N ATOM 232 CA GLY A 18 -8.067 -3.679 -13.646 1.00 0.00 C ATOM 233 C GLY A 18 -7.284 -4.941 -13.277 1.00 0.00 C ATOM 234 O GLY A 18 -7.008 -5.777 -14.135 1.00 0.00 O ATOM 0 H GLY A 18 -7.203 -2.660 -15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.542 -3.268 -12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.865 -3.933 -14.344 1.00 0.00 H new ATOM 238 N ILE A 19 -6.950 -5.038 -11.998 1.00 0.00 N ATOM 239 CA ILE A 19 -6.205 -6.184 -11.505 1.00 0.00 C ATOM 240 C ILE A 19 -7.186 -7.270 -11.057 1.00 0.00 C ATOM 241 O ILE A 19 -8.296 -6.967 -10.623 1.00 0.00 O ATOM 242 CB ILE A 19 -5.223 -5.755 -10.414 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.504 -4.460 -10.801 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.239 -6.881 -10.088 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.334 -4.180 -9.857 1.00 0.00 C ATOM 0 H ILE A 19 -7.182 -4.342 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.595 -6.613 -12.300 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.790 -5.550 -9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.140 -4.534 -11.826 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.207 -3.627 -10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.552 -6.550 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.789 -7.755 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.674 -7.141 -10.983 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.840 -3.255 -10.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.705 -4.082 -8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.621 -5.003 -9.907 1.00 0.00 H new ATOM 257 N HIS A 20 -6.740 -8.511 -11.178 1.00 0.00 N ATOM 258 CA HIS A 20 -7.564 -9.644 -10.791 1.00 0.00 C ATOM 259 C HIS A 20 -6.741 -10.610 -9.937 1.00 0.00 C ATOM 260 O HIS A 20 -5.827 -11.263 -10.438 1.00 0.00 O ATOM 261 CB HIS A 20 -8.178 -10.315 -12.021 1.00 0.00 C ATOM 262 CG HIS A 20 -7.475 -9.984 -13.316 1.00 0.00 C ATOM 263 ND1 HIS A 20 -8.038 -9.177 -14.289 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.250 -10.357 -13.786 1.00 0.00 C ATOM 265 CE1 HIS A 20 -7.183 -9.078 -15.296 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.076 -9.810 -14.983 1.00 0.00 N ATOM 0 H HIS A 20 -5.818 -8.758 -11.539 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.400 -9.299 -10.183 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.164 -11.395 -11.878 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.224 -10.017 -12.101 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.542 -10.990 -13.272 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.336 -8.516 -16.205 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.250 -9.919 -15.572 1.00 0.00 H new ATOM 274 N PHE A 21 -7.094 -10.670 -8.661 1.00 0.00 N ATOM 275 CA PHE A 21 -6.400 -11.545 -7.733 1.00 0.00 C ATOM 276 C PHE A 21 -7.281 -11.877 -6.527 1.00 0.00 C ATOM 277 O PHE A 21 -8.349 -11.291 -6.355 1.00 0.00 O ATOM 278 CB PHE A 21 -5.159 -10.791 -7.250 1.00 0.00 C ATOM 279 CG PHE A 21 -5.472 -9.546 -6.417 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.887 -8.405 -7.030 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.335 -9.581 -5.065 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.177 -7.250 -6.257 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.625 -8.426 -4.292 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.040 -7.284 -4.905 1.00 0.00 C ATOM 0 H PHE A 21 -7.852 -10.126 -8.249 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.141 -12.481 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.544 -11.467 -6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.566 -10.497 -8.116 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.996 -8.378 -8.104 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.006 -10.487 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.507 -6.344 -6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.516 -8.454 -3.218 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.260 -6.405 -4.317 1.00 0.00 H new ATOM 294 N THR A 22 -6.802 -12.815 -5.723 1.00 0.00 N ATOM 295 CA THR A 22 -7.533 -13.231 -4.539 1.00 0.00 C ATOM 296 C THR A 22 -6.772 -12.831 -3.274 1.00 0.00 C ATOM 297 O THR A 22 -5.638 -13.260 -3.066 1.00 0.00 O ATOM 298 CB THR A 22 -7.788 -14.736 -4.645 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.969 -14.833 -5.436 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.185 -15.358 -3.305 1.00 0.00 C ATOM 0 H THR A 22 -5.916 -13.299 -5.869 1.00 0.00 H new ATOM 0 HA THR A 22 -8.497 -12.727 -4.473 1.00 0.00 H new ATOM 0 HB THR A 22 -6.893 -15.230 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.206 -15.776 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.354 -16.427 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.385 -15.203 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.099 -14.888 -2.942 1.00 0.00 H new ATOM 308 N VAL A 23 -7.425 -12.013 -2.462 1.00 0.00 N ATOM 309 CA VAL A 23 -6.823 -11.551 -1.223 1.00 0.00 C ATOM 310 C VAL A 23 -6.471 -12.757 -0.350 1.00 0.00 C ATOM 311 O VAL A 23 -7.184 -13.760 -0.353 1.00 0.00 O ATOM 312 CB VAL A 23 -7.759 -10.561 -0.524 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.256 -10.232 0.883 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.932 -9.290 -1.357 1.00 0.00 C ATOM 0 H VAL A 23 -8.365 -11.658 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.896 -11.015 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.737 -11.033 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.938 -9.527 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.208 -11.146 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.262 -9.788 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.601 -8.603 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.962 -8.813 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.356 -9.546 -2.328 1.00 0.00 H new ATOM 324 N GLU A 24 -5.370 -12.621 0.375 1.00 0.00 N ATOM 325 CA GLU A 24 -4.914 -13.688 1.250 1.00 0.00 C ATOM 326 C GLU A 24 -4.869 -13.201 2.700 1.00 0.00 C ATOM 327 O GLU A 24 -4.088 -12.312 3.036 1.00 0.00 O ATOM 328 CB GLU A 24 -3.549 -14.215 0.806 1.00 0.00 C ATOM 329 CG GLU A 24 -3.693 -15.528 0.033 1.00 0.00 C ATOM 330 CD GLU A 24 -2.757 -16.600 0.594 1.00 0.00 C ATOM 331 OE1 GLU A 24 -2.979 -16.994 1.759 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.841 -17.002 -0.156 1.00 0.00 O ATOM 0 H GLU A 24 -4.781 -11.788 0.374 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.623 -14.513 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.055 -13.472 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.914 -14.370 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.725 -15.876 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.470 -15.360 -1.021 1.00 0.00 H new ATOM 339 N GLU A 25 -5.715 -13.806 3.521 1.00 0.00 N ATOM 340 CA GLU A 25 -5.781 -13.446 4.927 1.00 0.00 C ATOM 341 C GLU A 25 -4.680 -14.163 5.711 1.00 0.00 C ATOM 342 O GLU A 25 -4.939 -14.743 6.764 1.00 0.00 O ATOM 343 CB GLU A 25 -7.161 -13.760 5.509 1.00 0.00 C ATOM 344 CG GLU A 25 -8.266 -13.078 4.699 1.00 0.00 C ATOM 345 CD GLU A 25 -9.614 -13.766 4.923 1.00 0.00 C ATOM 346 OE1 GLU A 25 -9.739 -14.927 4.477 1.00 0.00 O ATOM 347 OE2 GLU A 25 -10.489 -13.115 5.534 1.00 0.00 O ATOM 0 H GLU A 25 -6.361 -14.544 3.239 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.622 -12.371 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.321 -14.838 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.207 -13.427 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.337 -12.029 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.013 -13.102 3.639 1.00 0.00 H new ATOM 354 N GLY A 26 -3.474 -14.100 5.166 1.00 0.00 N ATOM 355 CA GLY A 26 -2.332 -14.735 5.801 1.00 0.00 C ATOM 356 C GLY A 26 -1.020 -14.104 5.330 1.00 0.00 C ATOM 357 O GLY A 26 -0.119 -13.863 6.132 1.00 0.00 O ATOM 0 H GLY A 26 -3.263 -13.619 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.416 -14.642 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.330 -15.801 5.571 1.00 0.00 H new ATOM 361 N ASP A 27 -0.955 -13.854 4.031 1.00 0.00 N ATOM 362 CA ASP A 27 0.232 -13.255 3.443 1.00 0.00 C ATOM 363 C ASP A 27 -0.169 -12.446 2.208 1.00 0.00 C ATOM 364 O ASP A 27 -0.335 -13.003 1.123 1.00 0.00 O ATOM 365 CB ASP A 27 1.229 -14.328 3.002 1.00 0.00 C ATOM 366 CG ASP A 27 1.893 -15.101 4.143 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.932 -14.609 4.633 1.00 0.00 O ATOM 368 OD2 ASP A 27 1.347 -16.168 4.499 1.00 0.00 O ATOM 0 H ASP A 27 -1.704 -14.055 3.369 1.00 0.00 H new ATOM 0 HA ASP A 27 0.697 -12.618 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.714 -15.037 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.007 -13.855 2.402 1.00 0.00 H new ATOM 373 N LEU A 28 -0.314 -11.145 2.413 1.00 0.00 N ATOM 374 CA LEU A 28 -0.693 -10.254 1.329 1.00 0.00 C ATOM 375 C LEU A 28 0.501 -10.063 0.391 1.00 0.00 C ATOM 376 O LEU A 28 0.326 -9.748 -0.785 1.00 0.00 O ATOM 377 CB LEU A 28 -1.254 -8.944 1.885 1.00 0.00 C ATOM 378 CG LEU A 28 -2.676 -9.007 2.445 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.062 -7.686 3.113 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.675 -9.415 1.361 1.00 0.00 C ATOM 0 H LEU A 28 -0.176 -10.686 3.314 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.497 -10.693 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.589 -8.593 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.230 -8.196 1.092 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.705 -9.777 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.078 -7.758 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.373 -7.477 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.010 -6.880 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.678 -9.452 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.651 -8.686 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.409 -10.398 0.972 1.00 0.00 H new ATOM 392 N GLY A 29 1.687 -10.262 0.947 1.00 0.00 N ATOM 393 CA GLY A 29 2.909 -10.116 0.174 1.00 0.00 C ATOM 394 C GLY A 29 3.262 -8.640 -0.019 1.00 0.00 C ATOM 395 O GLY A 29 4.286 -8.316 -0.620 1.00 0.00 O ATOM 0 H GLY A 29 1.828 -10.523 1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.728 -10.626 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.788 -10.595 -0.798 1.00 0.00 H new ATOM 399 N PHE A 30 2.396 -7.784 0.502 1.00 0.00 N ATOM 400 CA PHE A 30 2.603 -6.350 0.395 1.00 0.00 C ATOM 401 C PHE A 30 1.963 -5.613 1.573 1.00 0.00 C ATOM 402 O PHE A 30 1.321 -6.231 2.421 1.00 0.00 O ATOM 403 CB PHE A 30 1.929 -5.896 -0.902 1.00 0.00 C ATOM 404 CG PHE A 30 0.400 -5.905 -0.844 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.265 -4.874 -0.256 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.294 -6.944 -1.380 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.684 -4.883 -0.203 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.713 -6.953 -1.327 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.378 -5.922 -0.739 1.00 0.00 C ATOM 0 H PHE A 30 1.548 -8.056 1.000 1.00 0.00 H new ATOM 0 HA PHE A 30 3.670 -6.128 0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.267 -4.888 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.256 -6.544 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.286 -4.049 0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.234 -7.763 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.212 -4.064 0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.264 -7.778 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.457 -5.929 -0.698 1.00 0.00 H new ATOM 419 N THR A 31 2.161 -4.303 1.589 1.00 0.00 N ATOM 420 CA THR A 31 1.611 -3.476 2.649 1.00 0.00 C ATOM 421 C THR A 31 1.196 -2.110 2.099 1.00 0.00 C ATOM 422 O THR A 31 1.392 -1.827 0.918 1.00 0.00 O ATOM 423 CB THR A 31 2.651 -3.389 3.768 1.00 0.00 C ATOM 424 OG1 THR A 31 2.540 -2.050 4.243 1.00 0.00 O ATOM 425 CG2 THR A 31 4.086 -3.480 3.244 1.00 0.00 C ATOM 0 H THR A 31 2.695 -3.794 0.884 1.00 0.00 H new ATOM 0 HA THR A 31 0.703 -3.915 3.062 1.00 0.00 H new ATOM 0 HB THR A 31 2.476 -4.189 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.179 -1.908 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.783 -3.413 4.079 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.226 -4.431 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.272 -2.661 2.549 1.00 0.00 H new ATOM 433 N LEU A 32 0.629 -1.300 2.981 1.00 0.00 N ATOM 434 CA LEU A 32 0.184 0.029 2.599 1.00 0.00 C ATOM 435 C LEU A 32 0.662 1.042 3.640 1.00 0.00 C ATOM 436 O LEU A 32 0.447 0.856 4.837 1.00 0.00 O ATOM 437 CB LEU A 32 -1.330 0.044 2.377 1.00 0.00 C ATOM 438 CG LEU A 32 -1.885 -1.052 1.465 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.412 -1.113 1.547 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.395 -0.870 0.027 1.00 0.00 C ATOM 0 H LEU A 32 0.468 -1.539 3.959 1.00 0.00 H new ATOM 0 HA LEU A 32 0.626 0.319 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.820 -0.035 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.606 1.012 1.959 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.505 -2.012 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.781 -1.900 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.713 -1.327 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.832 -0.156 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.804 -1.662 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.725 0.098 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.306 -0.916 0.005 1.00 0.00 H new ATOM 452 N ARG A 33 1.303 2.092 3.148 1.00 0.00 N ATOM 453 CA ARG A 33 1.814 3.135 4.021 1.00 0.00 C ATOM 454 C ARG A 33 0.732 4.185 4.283 1.00 0.00 C ATOM 455 O ARG A 33 -0.238 4.282 3.534 1.00 0.00 O ATOM 456 CB ARG A 33 3.039 3.816 3.408 1.00 0.00 C ATOM 457 CG ARG A 33 4.274 2.920 3.512 1.00 0.00 C ATOM 458 CD ARG A 33 5.294 3.503 4.492 1.00 0.00 C ATOM 459 NE ARG A 33 6.599 3.684 3.818 1.00 0.00 N ATOM 460 CZ ARG A 33 7.581 4.470 4.280 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.412 5.152 5.421 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.731 4.574 3.601 1.00 0.00 N ATOM 0 H ARG A 33 1.480 2.243 2.155 1.00 0.00 H new ATOM 0 HA ARG A 33 2.106 2.667 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.843 4.051 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.227 4.761 3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.978 1.923 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.731 2.809 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.937 4.459 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.407 2.839 5.349 1.00 0.00 H new ATOM 0 HE ARG A 33 6.761 3.179 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.536 5.073 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.159 5.750 5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.859 4.055 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.479 5.172 3.953 1.00 0.00 H new ATOM 476 N GLY A 34 0.936 4.945 5.349 1.00 0.00 N ATOM 477 CA GLY A 34 -0.009 5.984 5.719 1.00 0.00 C ATOM 478 C GLY A 34 0.106 7.189 4.783 1.00 0.00 C ATOM 479 O GLY A 34 1.097 7.916 4.821 1.00 0.00 O ATOM 0 H GLY A 34 1.742 4.862 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.024 5.587 5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.175 6.298 6.746 1.00 0.00 H new ATOM 483 N ASN A 35 -0.922 7.362 3.965 1.00 0.00 N ATOM 484 CA ASN A 35 -0.948 8.466 3.021 1.00 0.00 C ATOM 485 C ASN A 35 -2.198 8.352 2.145 1.00 0.00 C ATOM 486 O ASN A 35 -3.115 7.597 2.461 1.00 0.00 O ATOM 487 CB ASN A 35 0.276 8.436 2.104 1.00 0.00 C ATOM 488 CG ASN A 35 0.240 7.217 1.180 1.00 0.00 C ATOM 489 OD1 ASN A 35 0.530 6.099 1.572 1.00 0.00 O ATOM 490 ND2 ASN A 35 -0.132 7.494 -0.067 1.00 0.00 N ATOM 0 H ASN A 35 -1.742 6.757 3.937 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.950 9.396 3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.310 9.348 1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.185 8.414 2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.188 6.748 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.362 8.452 -0.330 1.00 0.00 H new ATOM 497 N THR A 36 -2.193 9.114 1.061 1.00 0.00 N ATOM 498 CA THR A 36 -3.314 9.108 0.137 1.00 0.00 C ATOM 499 C THR A 36 -2.945 9.840 -1.155 1.00 0.00 C ATOM 500 O THR A 36 -2.474 10.976 -1.117 1.00 0.00 O ATOM 501 CB THR A 36 -4.521 9.715 0.855 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.212 10.428 -0.168 1.00 0.00 O ATOM 503 CG2 THR A 36 -4.122 10.798 1.859 1.00 0.00 C ATOM 0 H THR A 36 -1.430 9.740 0.802 1.00 0.00 H new ATOM 0 HA THR A 36 -3.573 8.093 -0.164 1.00 0.00 H new ATOM 0 HB THR A 36 -5.070 8.927 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.612 9.792 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.016 11.195 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.464 10.369 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.602 11.602 1.339 1.00 0.00 H new ATOM 511 N PRO A 37 -3.179 9.142 -2.298 1.00 0.00 N ATOM 512 CA PRO A 37 -3.740 7.802 -2.255 1.00 0.00 C ATOM 513 C PRO A 37 -2.691 6.783 -1.806 1.00 0.00 C ATOM 514 O PRO A 37 -1.596 6.726 -2.365 1.00 0.00 O ATOM 515 CB PRO A 37 -4.253 7.545 -3.662 1.00 0.00 C ATOM 516 CG PRO A 37 -3.551 8.556 -4.554 1.00 0.00 C ATOM 517 CD PRO A 37 -2.917 9.607 -3.657 1.00 0.00 C ATOM 0 HA PRO A 37 -4.546 7.707 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.032 6.526 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.335 7.666 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.792 8.065 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.261 9.018 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.847 9.695 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.354 10.591 -3.830 1.00 0.00 H new ATOM 525 N VAL A 38 -3.061 6.003 -0.802 1.00 0.00 N ATOM 526 CA VAL A 38 -2.166 4.988 -0.272 1.00 0.00 C ATOM 527 C VAL A 38 -1.436 4.303 -1.429 1.00 0.00 C ATOM 528 O VAL A 38 -2.048 3.970 -2.442 1.00 0.00 O ATOM 529 CB VAL A 38 -2.947 4.009 0.607 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.383 4.672 1.914 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.149 3.436 -0.146 1.00 0.00 C ATOM 0 H VAL A 38 -3.969 6.053 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.408 5.442 0.366 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.283 3.181 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.936 3.954 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.503 5.008 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.021 5.528 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.687 2.743 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.814 4.248 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.804 2.908 -1.035 1.00 0.00 H new ATOM 541 N GLN A 39 -0.139 4.114 -1.238 1.00 0.00 N ATOM 542 CA GLN A 39 0.681 3.475 -2.254 1.00 0.00 C ATOM 543 C GLN A 39 1.044 2.052 -1.824 1.00 0.00 C ATOM 544 O GLN A 39 1.223 1.784 -0.637 1.00 0.00 O ATOM 545 CB GLN A 39 1.938 4.298 -2.541 1.00 0.00 C ATOM 546 CG GLN A 39 1.589 5.593 -3.277 1.00 0.00 C ATOM 547 CD GLN A 39 2.855 6.353 -3.679 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.609 5.940 -4.544 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.044 7.484 -3.005 1.00 0.00 N ATOM 0 H GLN A 39 0.365 4.392 -0.396 1.00 0.00 H new ATOM 0 HA GLN A 39 0.104 3.419 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.445 4.533 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.633 3.710 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.001 5.363 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.970 6.223 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.373 7.772 -2.293 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.860 8.064 -3.200 1.00 0.00 H new ATOM 558 N VAL A 40 1.141 1.176 -2.814 1.00 0.00 N ATOM 559 CA VAL A 40 1.479 -0.213 -2.554 1.00 0.00 C ATOM 560 C VAL A 40 2.996 -0.346 -2.411 1.00 0.00 C ATOM 561 O VAL A 40 3.750 0.241 -3.185 1.00 0.00 O ATOM 562 CB VAL A 40 0.901 -1.107 -3.653 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.256 -2.575 -3.408 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.613 -0.921 -3.772 1.00 0.00 C ATOM 0 H VAL A 40 0.991 1.402 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 40 1.034 -0.545 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 40 1.350 -0.807 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.833 -3.189 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.340 -2.690 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.848 -2.893 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.998 -1.568 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.087 -1.181 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.834 0.118 -4.015 1.00 0.00 H new ATOM 574 N HIS A 41 3.399 -1.122 -1.415 1.00 0.00 N ATOM 575 CA HIS A 41 4.813 -1.339 -1.160 1.00 0.00 C ATOM 576 C HIS A 41 5.101 -2.841 -1.116 1.00 0.00 C ATOM 577 O HIS A 41 5.388 -3.390 -0.053 1.00 0.00 O ATOM 578 CB HIS A 41 5.254 -0.613 0.112 1.00 0.00 C ATOM 579 CG HIS A 41 4.530 0.689 0.358 1.00 0.00 C ATOM 580 ND1 HIS A 41 4.996 1.907 -0.106 1.00 0.00 N ATOM 581 CD2 HIS A 41 3.368 0.950 1.024 1.00 0.00 C ATOM 582 CE1 HIS A 41 4.146 2.851 0.270 1.00 0.00 C ATOM 583 NE2 HIS A 41 3.138 2.256 0.970 1.00 0.00 N ATOM 0 H HIS A 41 2.771 -1.608 -0.775 1.00 0.00 H new ATOM 0 HA HIS A 41 5.402 -0.914 -1.973 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.097 -1.271 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.324 -0.416 0.053 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.849 2.053 -0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.742 0.218 1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.236 3.906 0.059 1.00 0.00 H new ATOM 591 N PHE A 42 5.015 -3.462 -2.283 1.00 0.00 N ATOM 592 CA PHE A 42 5.263 -4.890 -2.390 1.00 0.00 C ATOM 593 C PHE A 42 6.416 -5.317 -1.479 1.00 0.00 C ATOM 594 O PHE A 42 7.463 -4.672 -1.454 1.00 0.00 O ATOM 595 CB PHE A 42 5.648 -5.169 -3.844 1.00 0.00 C ATOM 596 CG PHE A 42 4.452 -5.373 -4.777 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.489 -6.279 -4.460 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.351 -4.647 -5.922 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.379 -6.468 -5.325 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.241 -4.836 -6.787 1.00 0.00 C ATOM 601 CZ PHE A 42 2.278 -5.742 -6.470 1.00 0.00 C ATOM 0 H PHE A 42 4.777 -3.003 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 42 4.374 -5.445 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.248 -4.339 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.278 -6.058 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.568 -6.855 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.115 -3.926 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.615 -7.189 -5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.162 -4.260 -7.697 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.433 -5.885 -7.128 1.00 0.00 H new ATOM 611 N LEU A 43 6.184 -6.400 -0.753 1.00 0.00 N ATOM 612 CA LEU A 43 7.190 -6.920 0.157 1.00 0.00 C ATOM 613 C LEU A 43 7.772 -8.214 -0.417 1.00 0.00 C ATOM 614 O LEU A 43 8.912 -8.570 -0.124 1.00 0.00 O ATOM 615 CB LEU A 43 6.610 -7.079 1.564 1.00 0.00 C ATOM 616 CG LEU A 43 6.677 -5.841 2.460 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.071 -6.126 3.836 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.111 -5.316 2.564 1.00 0.00 C ATOM 0 H LEU A 43 5.314 -6.932 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 43 8.015 -6.214 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.567 -7.382 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.136 -7.893 2.063 1.00 0.00 H new ATOM 0 HG LEU A 43 6.078 -5.055 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.131 -5.229 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.027 -6.417 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.622 -6.935 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.130 -4.436 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.752 -6.089 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.473 -5.049 1.571 1.00 0.00 H new ATOM 630 N ASP A 44 6.962 -8.881 -1.226 1.00 0.00 N ATOM 631 CA ASP A 44 7.381 -10.127 -1.844 1.00 0.00 C ATOM 632 C ASP A 44 7.221 -10.018 -3.362 1.00 0.00 C ATOM 633 O ASP A 44 6.168 -9.610 -3.851 1.00 0.00 O ATOM 634 CB ASP A 44 6.523 -11.298 -1.361 1.00 0.00 C ATOM 635 CG ASP A 44 6.250 -11.321 0.144 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.769 -10.414 0.829 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.527 -12.246 0.575 1.00 0.00 O ATOM 0 H ASP A 44 6.017 -8.582 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 44 8.421 -10.305 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.569 -11.272 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.016 -12.229 -1.640 1.00 0.00 H new ATOM 642 N PRO A 45 8.308 -10.400 -4.084 1.00 0.00 N ATOM 643 CA PRO A 45 8.298 -10.349 -5.536 1.00 0.00 C ATOM 644 C PRO A 45 7.466 -11.493 -6.119 1.00 0.00 C ATOM 645 O PRO A 45 7.225 -11.539 -7.324 1.00 0.00 O ATOM 646 CB PRO A 45 9.761 -10.411 -5.942 1.00 0.00 C ATOM 647 CG PRO A 45 10.505 -10.961 -4.736 1.00 0.00 C ATOM 648 CD PRO A 45 9.571 -10.888 -3.539 1.00 0.00 C ATOM 0 HA PRO A 45 7.830 -9.444 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.898 -11.053 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.133 -9.423 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.815 -11.990 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.410 -10.383 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.449 -11.865 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.959 -10.215 -2.774 1.00 0.00 H new ATOM 656 N HIS A 46 7.050 -12.389 -5.236 1.00 0.00 N ATOM 657 CA HIS A 46 6.250 -13.530 -5.648 1.00 0.00 C ATOM 658 C HIS A 46 4.959 -13.575 -4.828 1.00 0.00 C ATOM 659 O HIS A 46 4.690 -14.560 -4.142 1.00 0.00 O ATOM 660 CB HIS A 46 7.060 -14.824 -5.551 1.00 0.00 C ATOM 661 CG HIS A 46 8.525 -14.658 -5.874 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.159 -14.468 -7.067 1.00 0.00 N flip ATOM 663 CD2 HIS A 46 9.514 -14.678 -4.906 1.00 0.00 C flip ATOM 664 CE1 HIS A 46 10.463 -14.377 -6.840 1.00 0.00 C flip ATOM 665 NE2 HIS A 46 10.685 -14.507 -5.500 1.00 0.00 N flip ATOM 0 H HIS A 46 7.252 -12.348 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 46 5.970 -13.423 -6.696 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.964 -15.225 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.630 -15.561 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.357 -14.811 -3.846 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.223 -14.225 -7.592 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.593 -14.478 -5.037 1.00 0.00 H new ATOM 673 N CYS A 47 4.196 -12.497 -4.925 1.00 0.00 N ATOM 674 CA CYS A 47 2.940 -12.401 -4.200 1.00 0.00 C ATOM 675 C CYS A 47 1.799 -12.379 -5.219 1.00 0.00 C ATOM 676 O CYS A 47 1.986 -11.956 -6.358 1.00 0.00 O ATOM 677 CB CYS A 47 2.909 -11.177 -3.282 1.00 0.00 C ATOM 678 SG CYS A 47 3.327 -9.670 -4.232 1.00 0.00 S ATOM 0 H CYS A 47 4.423 -11.682 -5.495 1.00 0.00 H new ATOM 0 HA CYS A 47 2.827 -13.266 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.920 -11.072 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.616 -11.308 -2.463 1.00 0.00 H new ATOM 0 HG CYS A 47 4.582 -9.381 -4.057 1.00 0.00 H new ATOM 684 N SER A 48 0.640 -12.840 -4.771 1.00 0.00 N ATOM 685 CA SER A 48 -0.532 -12.879 -5.629 1.00 0.00 C ATOM 686 C SER A 48 -0.706 -11.534 -6.338 1.00 0.00 C ATOM 687 O SER A 48 -0.670 -11.466 -7.565 1.00 0.00 O ATOM 688 CB SER A 48 -1.789 -13.224 -4.828 1.00 0.00 C ATOM 689 OG SER A 48 -2.161 -14.591 -4.981 1.00 0.00 O ATOM 0 H SER A 48 0.488 -13.190 -3.825 1.00 0.00 H new ATOM 0 HA SER A 48 -0.384 -13.659 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.616 -13.011 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.611 -12.586 -5.151 1.00 0.00 H new ATOM 0 HG SER A 48 -2.967 -14.772 -4.453 1.00 0.00 H new ATOM 695 N ALA A 49 -0.892 -10.497 -5.534 1.00 0.00 N ATOM 696 CA ALA A 49 -1.072 -9.159 -6.069 1.00 0.00 C ATOM 697 C ALA A 49 -0.111 -8.948 -7.240 1.00 0.00 C ATOM 698 O ALA A 49 -0.542 -8.732 -8.372 1.00 0.00 O ATOM 699 CB ALA A 49 -0.867 -8.131 -4.954 1.00 0.00 C ATOM 0 H ALA A 49 -0.922 -10.557 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.086 -9.031 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.002 -7.127 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.594 -8.305 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.141 -8.228 -4.551 1.00 0.00 H new ATOM 705 N SER A 50 1.175 -9.019 -6.929 1.00 0.00 N ATOM 706 CA SER A 50 2.202 -8.840 -7.941 1.00 0.00 C ATOM 707 C SER A 50 1.945 -9.781 -9.120 1.00 0.00 C ATOM 708 O SER A 50 1.987 -9.361 -10.275 1.00 0.00 O ATOM 709 CB SER A 50 3.596 -9.084 -7.361 1.00 0.00 C ATOM 710 OG SER A 50 4.624 -8.822 -8.313 1.00 0.00 O ATOM 0 H SER A 50 1.529 -9.198 -5.989 1.00 0.00 H new ATOM 0 HA SER A 50 2.160 -7.809 -8.292 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.741 -8.449 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.671 -10.117 -7.021 1.00 0.00 H new ATOM 0 HG SER A 50 5.499 -8.988 -7.904 1.00 0.00 H new ATOM 716 N LEU A 51 1.685 -11.037 -8.787 1.00 0.00 N ATOM 717 CA LEU A 51 1.421 -12.041 -9.803 1.00 0.00 C ATOM 718 C LEU A 51 0.153 -11.662 -10.571 1.00 0.00 C ATOM 719 O LEU A 51 -0.088 -12.168 -11.666 1.00 0.00 O ATOM 720 CB LEU A 51 1.367 -13.436 -9.177 1.00 0.00 C ATOM 721 CG LEU A 51 2.639 -13.901 -8.466 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.304 -14.804 -7.277 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.600 -14.578 -9.446 1.00 0.00 C ATOM 0 H LEU A 51 1.652 -11.382 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 51 2.235 -12.073 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.545 -13.460 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.129 -14.155 -9.961 1.00 0.00 H new ATOM 0 HG LEU A 51 3.149 -13.022 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.226 -15.120 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.687 -14.255 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.760 -15.681 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.496 -14.899 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.113 -15.445 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.876 -13.873 -10.230 1.00 0.00 H new ATOM 735 N ALA A 52 -0.625 -10.776 -9.966 1.00 0.00 N ATOM 736 CA ALA A 52 -1.862 -10.324 -10.580 1.00 0.00 C ATOM 737 C ALA A 52 -1.535 -9.412 -11.764 1.00 0.00 C ATOM 738 O ALA A 52 -1.944 -9.682 -12.892 1.00 0.00 O ATOM 739 CB ALA A 52 -2.728 -9.628 -9.528 1.00 0.00 C ATOM 0 H ALA A 52 -0.423 -10.359 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.432 -11.170 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.656 -9.288 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.956 -10.327 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.190 -8.772 -9.122 1.00 0.00 H new ATOM 745 N GLY A 53 -0.802 -8.349 -11.466 1.00 0.00 N ATOM 746 CA GLY A 53 -0.416 -7.395 -12.492 1.00 0.00 C ATOM 747 C GLY A 53 -0.279 -5.988 -11.908 1.00 0.00 C ATOM 748 O GLY A 53 -0.748 -5.017 -12.500 1.00 0.00 O ATOM 0 H GLY A 53 -0.465 -8.127 -10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.529 -7.700 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.160 -7.391 -13.289 1.00 0.00 H new ATOM 752 N ALA A 54 0.368 -5.921 -10.753 1.00 0.00 N ATOM 753 CA ALA A 54 0.573 -4.649 -10.082 1.00 0.00 C ATOM 754 C ALA A 54 2.070 -4.342 -10.027 1.00 0.00 C ATOM 755 O ALA A 54 2.897 -5.217 -10.279 1.00 0.00 O ATOM 756 CB ALA A 54 -0.065 -4.696 -8.692 1.00 0.00 C ATOM 0 H ALA A 54 0.757 -6.728 -10.265 1.00 0.00 H new ATOM 0 HA ALA A 54 0.091 -3.842 -10.634 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.089 -3.742 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.134 -4.887 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.395 -5.493 -8.107 1.00 0.00 H new ATOM 762 N LYS A 55 2.375 -3.096 -9.695 1.00 0.00 N ATOM 763 CA LYS A 55 3.759 -2.662 -9.604 1.00 0.00 C ATOM 764 C LYS A 55 3.982 -1.962 -8.262 1.00 0.00 C ATOM 765 O LYS A 55 3.105 -1.973 -7.399 1.00 0.00 O ATOM 766 CB LYS A 55 4.133 -1.805 -10.814 1.00 0.00 C ATOM 767 CG LYS A 55 4.327 -2.671 -12.061 1.00 0.00 C ATOM 768 CD LYS A 55 5.657 -2.354 -12.747 1.00 0.00 C ATOM 769 CE LYS A 55 5.554 -1.071 -13.576 1.00 0.00 C ATOM 770 NZ LYS A 55 6.760 -0.234 -13.387 1.00 0.00 N ATOM 0 H LYS A 55 1.687 -2.373 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 55 4.430 -3.521 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.352 -1.067 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.049 -1.253 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.299 -3.725 -11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.505 -2.502 -12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.440 -2.245 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.946 -3.185 -13.391 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.439 -1.321 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.666 -0.511 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.674 0.632 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.853 0.019 -12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.602 -0.765 -13.689 1.00 0.00 H new ATOM 784 N GLU A 56 5.159 -1.369 -8.128 1.00 0.00 N ATOM 785 CA GLU A 56 5.508 -0.665 -6.906 1.00 0.00 C ATOM 786 C GLU A 56 5.083 0.802 -6.998 1.00 0.00 C ATOM 787 O GLU A 56 5.297 1.450 -8.022 1.00 0.00 O ATOM 788 CB GLU A 56 7.005 -0.785 -6.613 1.00 0.00 C ATOM 789 CG GLU A 56 7.253 -1.632 -5.363 1.00 0.00 C ATOM 790 CD GLU A 56 8.737 -1.639 -4.990 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.319 -0.533 -4.959 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.255 -2.750 -4.745 1.00 0.00 O ATOM 0 H GLU A 56 5.883 -1.362 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 56 4.971 -1.127 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.512 -1.234 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.433 0.208 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.667 -1.240 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.914 -2.653 -5.538 1.00 0.00 H new ATOM 799 N GLY A 57 4.490 1.282 -5.916 1.00 0.00 N ATOM 800 CA GLY A 57 4.033 2.660 -5.862 1.00 0.00 C ATOM 801 C GLY A 57 2.605 2.786 -6.397 1.00 0.00 C ATOM 802 O GLY A 57 2.137 3.890 -6.673 1.00 0.00 O ATOM 0 H GLY A 57 4.315 0.741 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.073 3.020 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.701 3.292 -6.447 1.00 0.00 H new ATOM 806 N ASP A 58 1.953 1.640 -6.528 1.00 0.00 N ATOM 807 CA ASP A 58 0.589 1.608 -7.026 1.00 0.00 C ATOM 808 C ASP A 58 -0.312 2.409 -6.083 1.00 0.00 C ATOM 809 O ASP A 58 -0.349 2.146 -4.882 1.00 0.00 O ATOM 810 CB ASP A 58 0.057 0.175 -7.084 1.00 0.00 C ATOM 811 CG ASP A 58 0.761 -0.736 -8.092 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.720 -0.246 -8.726 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.324 -1.901 -8.205 1.00 0.00 O ATOM 0 H ASP A 58 2.344 0.727 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 58 0.586 2.034 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.144 -0.269 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.005 0.207 -7.326 1.00 0.00 H new ATOM 818 N TYR A 59 -1.017 3.369 -6.663 1.00 0.00 N ATOM 819 CA TYR A 59 -1.915 4.210 -5.890 1.00 0.00 C ATOM 820 C TYR A 59 -3.361 3.726 -6.013 1.00 0.00 C ATOM 821 O TYR A 59 -4.042 4.034 -6.990 1.00 0.00 O ATOM 822 CB TYR A 59 -1.806 5.611 -6.493 1.00 0.00 C ATOM 823 CG TYR A 59 -0.408 6.225 -6.393 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.584 5.829 -7.267 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.139 7.175 -5.428 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.900 6.406 -7.172 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.177 7.752 -5.333 1.00 0.00 C ATOM 828 CZ TYR A 59 2.131 7.340 -6.210 1.00 0.00 C ATOM 829 OH TYR A 59 3.374 7.885 -6.121 1.00 0.00 O ATOM 0 H TYR A 59 -0.985 3.583 -7.660 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.647 4.188 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.098 5.567 -7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.517 6.268 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.373 5.086 -8.022 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.915 7.485 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.686 6.104 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.401 8.495 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 59 3.994 7.226 -5.744 1.00 0.00 H new ATOM 839 N ILE A 60 -3.788 2.975 -5.008 1.00 0.00 N ATOM 840 CA ILE A 60 -5.141 2.446 -4.991 1.00 0.00 C ATOM 841 C ILE A 60 -6.137 3.600 -5.118 1.00 0.00 C ATOM 842 O ILE A 60 -6.006 4.616 -4.437 1.00 0.00 O ATOM 843 CB ILE A 60 -5.361 1.576 -3.751 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.549 0.283 -3.837 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.850 1.305 -3.529 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.250 -0.271 -2.443 1.00 0.00 C ATOM 0 H ILE A 60 -3.220 2.720 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.304 1.789 -5.845 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.001 2.124 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.099 -0.458 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.614 0.471 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.979 0.685 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.375 2.250 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.259 0.787 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.672 -1.190 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.679 0.463 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.187 -0.481 -1.926 1.00 0.00 H new ATOM 858 N VAL A 61 -7.112 3.404 -5.994 1.00 0.00 N ATOM 859 CA VAL A 61 -8.130 4.416 -6.219 1.00 0.00 C ATOM 860 C VAL A 61 -9.494 3.861 -5.804 1.00 0.00 C ATOM 861 O VAL A 61 -10.321 4.586 -5.251 1.00 0.00 O ATOM 862 CB VAL A 61 -8.092 4.882 -7.676 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.905 5.815 -7.922 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.060 3.688 -8.632 1.00 0.00 C ATOM 0 H VAL A 61 -7.218 2.560 -6.556 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.936 5.296 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.005 5.444 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.901 6.132 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.990 6.690 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.977 5.289 -7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.033 4.046 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.172 3.087 -8.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.951 3.079 -8.483 1.00 0.00 H new ATOM 874 N SER A 62 -9.688 2.582 -6.086 1.00 0.00 N ATOM 875 CA SER A 62 -10.938 1.922 -5.749 1.00 0.00 C ATOM 876 C SER A 62 -10.742 0.404 -5.739 1.00 0.00 C ATOM 877 O SER A 62 -9.825 -0.111 -6.376 1.00 0.00 O ATOM 878 CB SER A 62 -12.046 2.307 -6.731 1.00 0.00 C ATOM 879 OG SER A 62 -12.476 3.654 -6.549 1.00 0.00 O ATOM 0 H SER A 62 -9.000 1.984 -6.544 1.00 0.00 H new ATOM 0 HA SER A 62 -11.241 2.250 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.687 2.176 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.894 1.635 -6.602 1.00 0.00 H new ATOM 0 HG SER A 62 -11.931 4.081 -5.855 1.00 0.00 H new ATOM 885 N ILE A 63 -11.620 -0.269 -5.009 1.00 0.00 N ATOM 886 CA ILE A 63 -11.555 -1.717 -4.907 1.00 0.00 C ATOM 887 C ILE A 63 -12.950 -2.302 -5.133 1.00 0.00 C ATOM 888 O ILE A 63 -13.847 -2.112 -4.313 1.00 0.00 O ATOM 889 CB ILE A 63 -10.921 -2.133 -3.579 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.457 -1.693 -3.508 1.00 0.00 C ATOM 891 CG2 ILE A 63 -11.080 -3.636 -3.342 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.925 -1.784 -2.077 1.00 0.00 C ATOM 0 H ILE A 63 -12.380 0.162 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.908 -2.125 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.450 -1.623 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.853 -2.320 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.364 -0.669 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.620 -3.905 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.140 -3.890 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.593 -4.185 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.883 -1.466 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.515 -1.138 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.997 -2.814 -1.727 1.00 0.00 H new ATOM 904 N GLN A 64 -13.090 -3.003 -6.249 1.00 0.00 N ATOM 905 CA GLN A 64 -14.361 -3.618 -6.592 1.00 0.00 C ATOM 906 C GLN A 64 -15.353 -2.555 -7.066 1.00 0.00 C ATOM 907 O GLN A 64 -15.879 -2.642 -8.175 1.00 0.00 O ATOM 908 CB GLN A 64 -14.926 -4.407 -5.409 1.00 0.00 C ATOM 909 CG GLN A 64 -14.991 -5.902 -5.729 1.00 0.00 C ATOM 910 CD GLN A 64 -15.952 -6.173 -6.889 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.785 -5.356 -7.242 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.789 -7.364 -7.458 1.00 0.00 N ATOM 0 H GLN A 64 -12.344 -3.159 -6.927 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.194 -4.321 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.303 -4.246 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.923 -4.040 -5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.996 -6.267 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.316 -6.453 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.071 -8.001 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.382 -7.641 -8.240 1.00 0.00 H new ATOM 921 N GLY A 65 -15.580 -1.575 -6.203 1.00 0.00 N ATOM 922 CA GLY A 65 -16.501 -0.497 -6.520 1.00 0.00 C ATOM 923 C GLY A 65 -16.614 0.488 -5.354 1.00 0.00 C ATOM 924 O GLY A 65 -17.691 1.018 -5.087 1.00 0.00 O ATOM 0 H GLY A 65 -15.142 -1.505 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.159 0.028 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.484 -0.909 -6.749 1.00 0.00 H new ATOM 928 N VAL A 66 -15.487 0.702 -4.692 1.00 0.00 N ATOM 929 CA VAL A 66 -15.445 1.614 -3.561 1.00 0.00 C ATOM 930 C VAL A 66 -14.355 2.661 -3.794 1.00 0.00 C ATOM 931 O VAL A 66 -13.388 2.406 -4.512 1.00 0.00 O ATOM 932 CB VAL A 66 -15.251 0.828 -2.262 1.00 0.00 C ATOM 933 CG1 VAL A 66 -14.977 1.769 -1.088 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.459 -0.067 -1.977 1.00 0.00 C ATOM 0 H VAL A 66 -14.596 0.260 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.391 2.147 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.380 0.185 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.843 1.185 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.073 2.345 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.820 2.449 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.295 -0.614 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.354 0.548 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.590 -0.774 -2.797 1.00 0.00 H new ATOM 944 N ASP A 67 -14.546 3.817 -3.176 1.00 0.00 N ATOM 945 CA ASP A 67 -13.591 4.903 -3.307 1.00 0.00 C ATOM 946 C ASP A 67 -12.419 4.665 -2.354 1.00 0.00 C ATOM 947 O ASP A 67 -12.615 4.510 -1.149 1.00 0.00 O ATOM 948 CB ASP A 67 -14.229 6.245 -2.945 1.00 0.00 C ATOM 949 CG ASP A 67 -14.101 7.333 -4.013 1.00 0.00 C ATOM 950 OD1 ASP A 67 -14.708 7.145 -5.090 1.00 0.00 O ATOM 951 OD2 ASP A 67 -13.398 8.327 -3.729 1.00 0.00 O ATOM 0 H ASP A 67 -15.349 4.025 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.255 4.931 -4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.287 6.083 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.776 6.608 -2.022 1.00 0.00 H new ATOM 956 N CYS A 68 -11.225 4.643 -2.928 1.00 0.00 N ATOM 957 CA CYS A 68 -10.021 4.425 -2.144 1.00 0.00 C ATOM 958 C CYS A 68 -8.957 5.421 -2.611 1.00 0.00 C ATOM 959 O CYS A 68 -7.844 5.029 -2.956 1.00 0.00 O ATOM 960 CB CYS A 68 -9.533 2.979 -2.246 1.00 0.00 C ATOM 961 SG CYS A 68 -10.689 1.864 -1.370 1.00 0.00 S ATOM 0 H CYS A 68 -11.066 4.773 -3.927 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.236 4.592 -1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.455 2.686 -3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.535 2.892 -1.816 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.682 0.696 -1.941 1.00 0.00 H new ATOM 967 N LYS A 69 -9.338 6.690 -2.607 1.00 0.00 N ATOM 968 CA LYS A 69 -8.431 7.745 -3.026 1.00 0.00 C ATOM 969 C LYS A 69 -7.965 8.529 -1.797 1.00 0.00 C ATOM 970 O LYS A 69 -6.815 8.959 -1.730 1.00 0.00 O ATOM 971 CB LYS A 69 -9.083 8.617 -4.101 1.00 0.00 C ATOM 972 CG LYS A 69 -8.064 9.029 -5.165 1.00 0.00 C ATOM 973 CD LYS A 69 -8.431 10.381 -5.781 1.00 0.00 C ATOM 974 CE LYS A 69 -8.293 11.507 -4.755 1.00 0.00 C ATOM 975 NZ LYS A 69 -7.703 12.710 -5.383 1.00 0.00 N ATOM 0 H LYS A 69 -10.263 7.011 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.541 7.320 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.902 8.072 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.514 9.506 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.071 9.086 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.021 8.269 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.785 10.582 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.454 10.348 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.271 11.749 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.666 11.177 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.616 13.465 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.762 12.479 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.316 13.033 -6.158 1.00 0.00 H new ATOM 989 N TRP A 70 -8.883 8.692 -0.856 1.00 0.00 N ATOM 990 CA TRP A 70 -8.581 9.416 0.367 1.00 0.00 C ATOM 991 C TRP A 70 -8.395 8.394 1.489 1.00 0.00 C ATOM 992 O TRP A 70 -7.588 8.599 2.394 1.00 0.00 O ATOM 993 CB TRP A 70 -9.667 10.450 0.674 1.00 0.00 C ATOM 994 CG TRP A 70 -10.182 11.196 -0.559 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.024 10.750 -1.501 1.00 0.00 C ATOM 996 CD2 TRP A 70 -9.852 12.547 -0.946 1.00 0.00 C ATOM 997 NE1 TRP A 70 -11.260 11.711 -2.464 1.00 0.00 N ATOM 998 CE2 TRP A 70 -10.525 12.838 -2.115 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.014 13.492 -0.329 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -10.429 14.072 -2.768 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -8.928 14.720 -0.994 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -9.598 15.029 -2.172 1.00 0.00 C ATOM 0 H TRP A 70 -9.837 8.335 -0.916 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.658 9.986 0.260 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -10.505 9.949 1.159 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -9.273 11.175 1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.463 9.763 -1.506 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -11.863 11.612 -3.281 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.479 13.286 0.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.967 14.275 -3.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.296 15.482 -0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -9.478 16.002 -2.625 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.156 7.313 1.393 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.085 6.257 2.390 1.00 0.00 C ATOM 1015 C LEU A 71 -7.626 6.046 2.800 1.00 0.00 C ATOM 1016 O LEU A 71 -6.716 6.263 2.002 1.00 0.00 O ATOM 1017 CB LEU A 71 -9.769 4.989 1.876 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.293 5.050 1.756 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -11.884 3.653 1.561 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -11.909 5.770 2.957 1.00 0.00 C ATOM 0 H LEU A 71 -9.824 7.146 0.641 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.631 6.544 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.357 4.750 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.510 4.165 2.541 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.543 5.632 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.968 3.725 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.479 3.211 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.626 3.026 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.993 5.800 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.652 5.237 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.522 6.788 3.009 1.00 0.00 H new ATOM 1032 N THR A 72 -7.450 5.627 4.044 1.00 0.00 N ATOM 1033 CA THR A 72 -6.117 5.384 4.570 1.00 0.00 C ATOM 1034 C THR A 72 -5.703 3.932 4.324 1.00 0.00 C ATOM 1035 O THR A 72 -6.245 3.269 3.441 1.00 0.00 O ATOM 1036 CB THR A 72 -6.114 5.774 6.049 1.00 0.00 C ATOM 1037 OG1 THR A 72 -6.747 4.675 6.699 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.034 6.961 6.344 1.00 0.00 C ATOM 0 H THR A 72 -8.208 5.449 4.703 1.00 0.00 H new ATOM 0 HA THR A 72 -5.373 5.993 4.057 1.00 0.00 H new ATOM 0 HB THR A 72 -5.097 6.017 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.633 4.949 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.995 7.196 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.707 7.827 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.057 6.706 6.067 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.746 3.480 5.121 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.252 2.118 5.000 1.00 0.00 C ATOM 1048 C VAL A 73 -5.286 1.153 5.583 1.00 0.00 C ATOM 1049 O VAL A 73 -5.675 0.186 4.930 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.880 1.998 5.666 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.546 0.537 5.974 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.793 2.639 4.801 1.00 0.00 C ATOM 0 H VAL A 73 -4.299 4.032 5.853 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.114 1.853 3.952 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.918 2.539 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.566 0.480 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.298 0.126 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.536 -0.037 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.828 2.540 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.756 2.139 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.020 3.695 4.656 1.00 0.00 H new ATOM 1062 N SER A 74 -5.702 1.448 6.806 1.00 0.00 N ATOM 1063 CA SER A 74 -6.683 0.618 7.484 1.00 0.00 C ATOM 1064 C SER A 74 -7.944 0.493 6.627 1.00 0.00 C ATOM 1065 O SER A 74 -8.350 -0.612 6.271 1.00 0.00 O ATOM 1066 CB SER A 74 -7.030 1.189 8.860 1.00 0.00 C ATOM 1067 OG SER A 74 -7.463 0.176 9.764 1.00 0.00 O ATOM 0 H SER A 74 -5.377 2.251 7.345 1.00 0.00 H new ATOM 0 HA SER A 74 -6.252 -0.372 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.157 1.695 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.813 1.940 8.754 1.00 0.00 H new ATOM 0 HG SER A 74 -7.673 0.580 10.632 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.530 1.642 6.322 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.737 1.675 5.514 1.00 0.00 C ATOM 1075 C GLU A 75 -9.621 0.692 4.347 1.00 0.00 C ATOM 1076 O GLU A 75 -10.474 -0.178 4.177 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.021 3.092 5.011 1.00 0.00 C ATOM 1078 CG GLU A 75 -10.843 3.881 6.032 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.101 5.144 6.475 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.284 6.177 5.796 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.367 5.046 7.482 1.00 0.00 O ATOM 0 H GLU A 75 -8.191 2.557 6.620 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.577 1.371 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.081 3.609 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.559 3.045 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.805 4.154 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.051 3.254 6.899 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.560 0.864 3.573 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.322 0.003 2.427 1.00 0.00 C ATOM 1090 C VAL A 76 -8.095 -1.431 2.910 1.00 0.00 C ATOM 1091 O VAL A 76 -8.852 -2.335 2.561 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.157 0.546 1.597 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.731 -0.460 0.525 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.511 1.896 0.972 1.00 0.00 C ATOM 0 H VAL A 76 -7.855 1.587 3.717 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.193 -0.009 1.771 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.311 0.699 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.902 -0.049 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.417 -1.389 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.571 -0.660 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.666 2.259 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.378 1.780 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.742 2.613 1.760 1.00 0.00 H new ATOM 1104 N MET A 77 -7.048 -1.594 3.707 1.00 0.00 N ATOM 1105 CA MET A 77 -6.712 -2.903 4.241 1.00 0.00 C ATOM 1106 C MET A 77 -7.972 -3.673 4.640 1.00 0.00 C ATOM 1107 O MET A 77 -8.111 -4.852 4.318 1.00 0.00 O ATOM 1108 CB MET A 77 -5.807 -2.737 5.464 1.00 0.00 C ATOM 1109 CG MET A 77 -4.335 -2.915 5.085 1.00 0.00 C ATOM 1110 SD MET A 77 -4.067 -4.555 4.433 1.00 0.00 S ATOM 1111 CE MET A 77 -2.820 -4.200 3.205 1.00 0.00 C ATOM 0 H MET A 77 -6.422 -0.842 3.995 1.00 0.00 H new ATOM 0 HA MET A 77 -6.194 -3.469 3.467 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.957 -1.750 5.901 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.081 -3.467 6.225 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.049 -2.169 4.344 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.704 -2.754 5.959 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.070 -4.991 3.208 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.284 -4.144 2.220 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.343 -3.247 3.436 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.859 -2.975 5.334 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.103 -3.579 5.779 1.00 0.00 C ATOM 1123 C LYS A 78 -10.957 -3.935 4.561 1.00 0.00 C ATOM 1124 O LYS A 78 -11.533 -5.020 4.498 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.813 -2.666 6.782 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.412 -3.012 8.217 1.00 0.00 C ATOM 1127 CD LYS A 78 -11.038 -2.032 9.212 1.00 0.00 C ATOM 1128 CE LYS A 78 -11.183 -2.673 10.594 1.00 0.00 C ATOM 1129 NZ LYS A 78 -10.346 -1.961 11.586 1.00 0.00 N ATOM 0 H LYS A 78 -8.741 -1.997 5.599 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.905 -4.509 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.564 -1.626 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.893 -2.765 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.730 -4.028 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.326 -2.988 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.420 -1.137 9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.016 -1.715 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.227 -2.648 10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.890 -3.722 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.456 -2.409 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.348 -2.007 11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.645 -0.966 11.642 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.012 -3.001 3.623 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.786 -3.203 2.410 1.00 0.00 C ATOM 1145 C LEU A 79 -11.202 -4.381 1.628 1.00 0.00 C ATOM 1146 O LEU A 79 -11.899 -5.010 0.834 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.864 -1.906 1.602 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.271 -1.423 1.243 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.569 -0.072 1.894 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.466 -1.384 -0.274 1.00 0.00 C ATOM 0 H LEU A 79 -10.533 -2.102 3.679 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.816 -3.462 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.364 -1.119 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.301 -2.042 0.678 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.990 -2.138 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.575 0.249 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.498 -0.167 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.847 0.667 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.474 -1.037 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.739 -0.703 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.324 -2.384 -0.685 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.928 -4.643 1.879 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.241 -5.734 1.208 1.00 0.00 C ATOM 1164 C LEU A 80 -9.468 -7.030 1.989 1.00 0.00 C ATOM 1165 O LEU A 80 -9.805 -8.059 1.406 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.765 -5.391 1.001 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.377 -4.917 -0.402 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.948 -4.371 -0.420 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.579 -6.030 -1.432 1.00 0.00 C ATOM 0 H LEU A 80 -9.353 -4.118 2.538 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.651 -5.887 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.489 -4.615 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.170 -6.272 1.243 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.038 -4.097 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.697 -4.041 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.872 -3.528 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.255 -5.154 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.296 -5.667 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.958 -6.887 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.627 -6.331 -1.442 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.273 -6.937 3.297 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.452 -8.090 4.163 1.00 0.00 C ATOM 1183 C LYS A 81 -10.871 -8.636 3.992 1.00 0.00 C ATOM 1184 O LYS A 81 -11.059 -9.836 3.797 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.101 -7.733 5.609 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.597 -7.871 5.858 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.131 -6.903 6.948 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.609 -6.744 6.925 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.085 -6.583 8.300 1.00 0.00 N ATOM 0 H LYS A 81 -8.993 -6.082 3.777 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.766 -8.889 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.416 -6.712 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.648 -8.384 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.366 -8.895 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.052 -7.674 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.604 -5.932 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.447 -7.269 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.153 -7.616 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.337 -5.878 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.051 -6.476 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.507 -5.738 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.329 -7.422 8.865 1.00 0.00 H new ATOM 1203 N SER A 82 -11.833 -7.729 4.072 1.00 0.00 N ATOM 1204 CA SER A 82 -13.230 -8.105 3.929 1.00 0.00 C ATOM 1205 C SER A 82 -13.393 -9.075 2.757 1.00 0.00 C ATOM 1206 O SER A 82 -14.188 -10.011 2.828 1.00 0.00 O ATOM 1207 CB SER A 82 -14.113 -6.873 3.724 1.00 0.00 C ATOM 1208 OG SER A 82 -15.499 -7.205 3.715 1.00 0.00 O ATOM 0 H SER A 82 -11.673 -6.735 4.234 1.00 0.00 H new ATOM 0 HA SER A 82 -13.548 -8.598 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.918 -6.151 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.850 -6.391 2.783 1.00 0.00 H new ATOM 0 HG SER A 82 -16.029 -6.392 3.583 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.626 -8.820 1.707 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.675 -9.659 0.522 1.00 0.00 C ATOM 1216 C PHE A 83 -11.578 -10.725 0.560 1.00 0.00 C ATOM 1217 O PHE A 83 -10.947 -11.007 -0.458 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.442 -8.746 -0.683 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.497 -7.650 -0.847 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.817 -7.951 -0.710 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.116 -6.376 -1.129 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.796 -6.934 -0.862 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.095 -5.359 -1.282 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.415 -5.660 -1.145 1.00 0.00 C ATOM 0 H PHE A 83 -11.967 -8.044 1.653 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.637 -10.168 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.461 -8.280 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.421 -9.354 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.120 -8.963 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.068 -6.137 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.844 -7.173 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.792 -4.347 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.160 -4.887 -1.261 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.385 -11.289 1.743 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.376 -12.318 1.926 1.00 0.00 C ATOM 1236 C GLY A 84 -10.796 -13.625 1.252 1.00 0.00 C ATOM 1237 O GLY A 84 -11.890 -14.131 1.499 1.00 0.00 O ATOM 0 H GLY A 84 -11.911 -11.053 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.427 -11.979 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.215 -12.489 2.990 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.906 -14.134 0.413 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.171 -15.373 -0.299 1.00 0.00 C ATOM 1243 C GLY A 85 -11.249 -15.173 -1.365 1.00 0.00 C ATOM 1244 O GLY A 85 -11.890 -16.131 -1.794 1.00 0.00 O ATOM 0 H GLY A 85 -9.000 -13.711 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.254 -15.731 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.490 -16.141 0.406 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.417 -13.920 -1.763 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.407 -13.581 -2.772 1.00 0.00 C ATOM 1250 C GLU A 86 -11.786 -12.683 -3.844 1.00 0.00 C ATOM 1251 O GLU A 86 -11.257 -11.617 -3.536 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.629 -12.914 -2.138 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.261 -13.820 -1.079 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.788 -13.737 -1.127 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.364 -14.393 -2.022 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.344 -13.019 -0.268 1.00 0.00 O ATOM 0 H GLU A 86 -10.884 -13.127 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.743 -14.502 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.336 -11.967 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.363 -12.684 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.944 -14.850 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.908 -13.530 -0.089 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.871 -13.148 -5.082 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.325 -12.401 -6.201 1.00 0.00 C ATOM 1265 C GLU A 87 -12.006 -11.035 -6.311 1.00 0.00 C ATOM 1266 O GLU A 87 -13.228 -10.954 -6.422 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.463 -13.188 -7.506 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.154 -13.170 -8.299 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.155 -14.248 -9.384 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.202 -14.377 -10.055 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -9.109 -14.919 -9.518 1.00 0.00 O ATOM 0 H GLU A 87 -12.310 -14.033 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.262 -12.242 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.745 -14.218 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.264 -12.761 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.015 -12.190 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.313 -13.330 -7.624 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.185 -9.996 -6.275 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.692 -8.637 -6.368 1.00 0.00 C ATOM 1280 C VAL A 88 -10.997 -7.916 -7.525 1.00 0.00 C ATOM 1281 O VAL A 88 -10.051 -8.441 -8.109 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.520 -7.921 -5.027 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.075 -8.766 -3.879 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.054 -7.559 -4.783 1.00 0.00 C ATOM 0 H VAL A 88 -10.172 -10.068 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.761 -8.642 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.092 -6.994 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.940 -8.234 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.137 -8.950 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.544 -9.717 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.960 -7.051 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.452 -8.467 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.705 -6.900 -5.578 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.494 -6.724 -7.820 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.932 -5.925 -8.896 1.00 0.00 C ATOM 1296 C GLU A 89 -10.323 -4.637 -8.339 1.00 0.00 C ATOM 1297 O GLU A 89 -11.042 -3.682 -8.046 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.988 -5.617 -9.959 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.351 -5.488 -11.344 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.420 -5.432 -12.437 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.532 -4.958 -12.119 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.102 -5.865 -13.565 1.00 0.00 O ATOM 0 H GLU A 89 -12.279 -6.292 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.140 -6.501 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.738 -6.408 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.505 -4.692 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.738 -4.588 -11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.687 -6.334 -11.523 1.00 0.00 H new ATOM 1309 N MET A 90 -9.005 -4.651 -8.210 1.00 0.00 N ATOM 1310 CA MET A 90 -8.291 -3.495 -7.693 1.00 0.00 C ATOM 1311 C MET A 90 -7.840 -2.576 -8.830 1.00 0.00 C ATOM 1312 O MET A 90 -7.350 -3.046 -9.856 1.00 0.00 O ATOM 1313 CB MET A 90 -7.070 -3.962 -6.898 1.00 0.00 C ATOM 1314 CG MET A 90 -6.342 -2.776 -6.263 1.00 0.00 C ATOM 1315 SD MET A 90 -5.277 -3.345 -4.950 1.00 0.00 S ATOM 1316 CE MET A 90 -4.274 -4.516 -5.849 1.00 0.00 C ATOM 0 H MET A 90 -8.412 -5.444 -8.454 1.00 0.00 H new ATOM 0 HA MET A 90 -8.965 -2.935 -7.044 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.383 -4.659 -6.121 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.388 -4.502 -7.555 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.755 -2.253 -7.018 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.066 -2.062 -5.871 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.043 -5.366 -5.207 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.818 -4.863 -6.727 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.347 -4.036 -6.163 1.00 0.00 H new ATOM 1326 N LYS A 91 -8.020 -1.282 -8.609 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.637 -0.293 -9.602 1.00 0.00 C ATOM 1328 C LYS A 91 -6.510 0.577 -9.041 1.00 0.00 C ATOM 1329 O LYS A 91 -6.624 1.113 -7.941 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.858 0.505 -10.062 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.542 -0.176 -11.250 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.966 -0.605 -10.891 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.915 -0.401 -12.073 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.316 -0.644 -11.661 1.00 0.00 N ATOM 0 H LYS A 91 -8.426 -0.896 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.249 -0.782 -10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.565 0.603 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.554 1.513 -10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.567 0.506 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.963 -1.047 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.970 -1.654 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.318 -0.030 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.814 0.614 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.646 -1.077 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.947 -0.501 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.412 -1.620 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.575 0.019 -10.902 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.447 0.689 -9.824 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.300 1.484 -9.420 1.00 0.00 C ATOM 1350 C VAL A 92 -3.861 2.370 -10.587 1.00 0.00 C ATOM 1351 O VAL A 92 -4.107 2.041 -11.747 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.183 0.571 -8.910 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.644 -0.229 -7.690 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.685 -0.358 -10.019 1.00 0.00 C ATOM 0 H VAL A 92 -5.356 0.242 -10.736 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.566 2.143 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.349 1.201 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.832 -0.870 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.927 0.456 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.502 -0.844 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.892 -0.996 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.509 -0.978 -10.372 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.299 0.237 -10.846 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.219 3.476 -10.241 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.744 4.411 -11.246 1.00 0.00 C ATOM 1366 C VAL A 93 -1.303 4.812 -10.923 1.00 0.00 C ATOM 1367 O VAL A 93 -0.833 4.605 -9.806 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.692 5.609 -11.336 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.963 5.246 -12.105 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.028 6.148 -9.944 1.00 0.00 C ATOM 0 H VAL A 93 -3.017 3.746 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.738 3.943 -12.230 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.182 6.399 -11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.619 6.115 -12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.700 4.932 -13.115 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.477 4.432 -11.594 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.703 6.999 -10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.509 5.365 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.112 6.464 -9.445 1.00 0.00 H new ATOM 1380 N SER A 94 -0.642 5.379 -11.922 1.00 0.00 N ATOM 1381 CA SER A 94 0.735 5.810 -11.758 1.00 0.00 C ATOM 1382 C SER A 94 0.795 7.334 -11.631 1.00 0.00 C ATOM 1383 O SER A 94 -0.178 8.024 -11.930 1.00 0.00 O ATOM 1384 CB SER A 94 1.602 5.341 -12.929 1.00 0.00 C ATOM 1385 OG SER A 94 2.993 5.494 -12.658 1.00 0.00 O ATOM 0 H SER A 94 -1.035 5.550 -12.848 1.00 0.00 H new ATOM 0 HA SER A 94 1.128 5.360 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.387 4.294 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.342 5.908 -13.823 1.00 0.00 H new ATOM 0 HG SER A 94 3.513 5.182 -13.428 1.00 0.00 H new ATOM 1391 N LEU A 95 1.947 7.814 -11.185 1.00 0.00 N ATOM 1392 CA LEU A 95 2.146 9.243 -11.014 1.00 0.00 C ATOM 1393 C LEU A 95 3.210 9.727 -12.002 1.00 0.00 C ATOM 1394 O LEU A 95 4.311 9.181 -12.050 1.00 0.00 O ATOM 1395 CB LEU A 95 2.468 9.568 -9.554 1.00 0.00 C ATOM 1396 CG LEU A 95 2.862 11.017 -9.261 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.662 11.953 -9.413 1.00 0.00 C ATOM 1398 CD2 LEU A 95 3.514 11.140 -7.882 1.00 0.00 C ATOM 0 H LEU A 95 2.752 7.239 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 95 1.229 9.786 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.598 9.319 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.281 8.918 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 95 3.605 11.324 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.970 12.977 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.281 11.894 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.879 11.656 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.784 12.180 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.813 10.807 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.410 10.520 -7.847 1.00 0.00 H new ATOM 1410 N LEU A 96 2.843 10.746 -12.765 1.00 0.00 N ATOM 1411 CA LEU A 96 3.753 11.310 -13.748 1.00 0.00 C ATOM 1412 C LEU A 96 4.153 12.722 -13.316 1.00 0.00 C ATOM 1413 O LEU A 96 3.293 13.563 -13.058 1.00 0.00 O ATOM 1414 CB LEU A 96 3.136 11.246 -15.147 1.00 0.00 C ATOM 1415 CG LEU A 96 2.505 9.909 -15.541 1.00 0.00 C ATOM 1416 CD1 LEU A 96 3.415 8.740 -15.161 1.00 0.00 C ATOM 1417 CD2 LEU A 96 1.105 9.766 -14.941 1.00 0.00 C ATOM 0 H LEU A 96 1.928 11.196 -12.723 1.00 0.00 H new ATOM 0 HA LEU A 96 4.669 10.722 -13.801 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.373 12.021 -15.222 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.910 11.489 -15.875 1.00 0.00 H new ATOM 0 HG LEU A 96 2.394 9.890 -16.625 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.943 7.802 -15.452 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.370 8.840 -15.676 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.581 8.744 -14.084 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.679 8.807 -15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.168 9.816 -13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.469 10.573 -15.305 1.00 0.00 H new