USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.73 F(o=-5.3!,f=-1.7) USER MOD Single : A 21 SER OG : rot 160:sc=-0.00742 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.042) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 12:sc= -0.259! USER MOD Single : A 49 MET CE :methyl -170:sc= -1.21 (180deg=-1.37) USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00433) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 173:sc= -0.827 (180deg=-0.913) USER MOD Single : A 60 THR OG1 : rot -84:sc= 0.633 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -80:sc= -1.29 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00179 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -112:sc= 0.793 USER MOD Single : A 83 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-2!) USER MOD Single : A 94 ASN : amide:sc= -2.88 K(o=-2.9,f=-3.7!) USER MOD Single : A 99 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.7!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0547 K(o=-0.055,f=-0.6) USER MOD Single : A 113 SER OG : rot -1:sc= 0.266 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0183 F(o=-2.5!,f=-0.018) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.532 2.622 -16.093 1.00 0.00 N ATOM 157 CA HIS A 14 -13.596 1.525 -15.919 1.00 0.00 C ATOM 158 C HIS A 14 -12.837 1.701 -14.602 1.00 0.00 C ATOM 159 O HIS A 14 -12.576 2.826 -14.178 1.00 0.00 O ATOM 160 CB HIS A 14 -12.665 1.408 -17.128 1.00 0.00 C ATOM 161 CG HIS A 14 -13.387 1.302 -18.451 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.673 0.089 -19.053 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.878 2.268 -19.278 1.00 0.00 C ATOM 164 CE1 HIS A 14 -14.306 0.327 -20.192 1.00 0.00 C ATOM 165 NE2 HIS A 14 -14.432 1.678 -20.330 1.00 0.00 N ATOM 0 HA HIS A 14 -14.142 0.583 -15.861 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -12.008 2.277 -17.153 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -12.030 0.531 -17.001 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.825 3.333 -19.106 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.660 -0.418 -20.889 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.878 2.156 -21.113 1.00 0.00 H new ATOM 173 N PRO A 15 -12.496 0.544 -13.976 1.00 0.00 N ATOM 174 CA PRO A 15 -11.773 0.559 -12.716 1.00 0.00 C ATOM 175 C PRO A 15 -10.301 0.915 -12.933 1.00 0.00 C ATOM 176 O PRO A 15 -9.695 1.598 -12.108 1.00 0.00 O ATOM 177 CB PRO A 15 -11.968 -0.831 -12.133 1.00 0.00 C ATOM 178 CG PRO A 15 -12.396 -1.714 -13.294 1.00 0.00 C ATOM 179 CD PRO A 15 -12.789 -0.806 -14.449 1.00 0.00 C ATOM 0 HA PRO A 15 -12.143 1.320 -12.028 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.046 -1.198 -11.682 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.725 -0.823 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.583 -2.377 -13.589 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.234 -2.347 -13.004 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.221 -1.042 -15.349 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.844 -0.918 -14.699 1.00 0.00 H new ATOM 187 N VAL A 16 -9.768 0.437 -14.048 1.00 0.00 N ATOM 188 CA VAL A 16 -8.378 0.697 -14.384 1.00 0.00 C ATOM 189 C VAL A 16 -8.308 1.840 -15.399 1.00 0.00 C ATOM 190 O VAL A 16 -9.118 1.905 -16.323 1.00 0.00 O ATOM 191 CB VAL A 16 -7.712 -0.587 -14.882 1.00 0.00 C ATOM 192 CG1 VAL A 16 -6.193 -0.420 -14.965 1.00 0.00 C ATOM 193 CG2 VAL A 16 -8.085 -1.778 -13.997 1.00 0.00 C ATOM 0 H VAL A 16 -10.273 -0.129 -14.730 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.824 1.013 -13.500 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.083 -0.788 -15.887 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.744 -1.347 -15.322 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.953 0.389 -15.656 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.799 -0.182 -13.977 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.598 -2.678 -14.373 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.757 -1.589 -12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.166 -1.917 -14.011 1.00 0.00 H new ATOM 203 N THR A 17 -7.333 2.712 -15.193 1.00 0.00 N ATOM 204 CA THR A 17 -7.147 3.849 -16.079 1.00 0.00 C ATOM 205 C THR A 17 -5.683 4.294 -16.075 1.00 0.00 C ATOM 206 O THR A 17 -5.142 4.654 -15.031 1.00 0.00 O ATOM 207 CB THR A 17 -8.118 4.950 -15.646 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.396 4.650 -14.281 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.477 4.837 -16.338 1.00 0.00 C ATOM 0 H THR A 17 -6.663 2.655 -14.426 1.00 0.00 H new ATOM 0 HA THR A 17 -7.371 3.586 -17.113 1.00 0.00 H new ATOM 0 HB THR A 17 -7.681 5.925 -15.862 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.017 5.316 -13.920 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.128 5.642 -15.995 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.343 4.913 -17.417 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.930 3.876 -16.095 1.00 0.00 H new ATOM 217 N TRP A 18 -5.083 4.255 -17.256 1.00 0.00 N ATOM 218 CA TRP A 18 -3.692 4.650 -17.402 1.00 0.00 C ATOM 219 C TRP A 18 -3.656 5.990 -18.138 1.00 0.00 C ATOM 220 O TRP A 18 -3.927 6.052 -19.336 1.00 0.00 O ATOM 221 CB TRP A 18 -2.884 3.559 -18.107 1.00 0.00 C ATOM 222 CG TRP A 18 -2.674 2.298 -17.266 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.475 1.228 -17.168 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.552 2.017 -16.403 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.954 0.283 -16.309 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.747 0.778 -15.829 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.409 2.785 -16.117 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.841 0.196 -14.933 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.486 2.190 -15.220 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.304 0.944 -14.634 1.00 0.00 C ATOM 0 H TRP A 18 -5.535 3.956 -18.120 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.222 4.776 -16.427 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.392 3.286 -19.032 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.911 3.964 -18.385 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.411 1.119 -17.696 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.377 -0.614 -16.070 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.236 3.757 -16.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.016 -0.776 -14.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.381 2.738 -14.966 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.043 0.554 -13.950 1.00 0.00 H new ATOM 241 N GLN A 19 -3.319 7.031 -17.390 1.00 0.00 N ATOM 242 CA GLN A 19 -3.244 8.367 -17.956 1.00 0.00 C ATOM 243 C GLN A 19 -1.931 9.041 -17.552 1.00 0.00 C ATOM 244 O GLN A 19 -1.383 8.754 -16.490 1.00 0.00 O ATOM 245 CB GLN A 19 -4.447 9.210 -17.532 1.00 0.00 C ATOM 246 CG GLN A 19 -5.715 8.358 -17.456 1.00 0.00 C ATOM 247 CD GLN A 19 -6.136 8.129 -16.003 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.550 7.083 -15.428 1.00 0.00 O flip ATOM 249 NE2 GLN A 19 -6.940 8.855 -15.441 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.095 6.976 -16.396 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.267 8.283 -19.042 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.252 9.665 -16.561 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.594 10.024 -18.242 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.522 8.851 -17.999 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.542 7.399 -17.944 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.353 9.642 -15.941 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.199 8.675 -14.471 1.00 0.00 H new ATOM 258 N PRO A 20 -1.454 9.950 -18.445 1.00 0.00 N ATOM 259 CA PRO A 20 -0.216 10.668 -18.192 1.00 0.00 C ATOM 260 C PRO A 20 -0.420 11.759 -17.138 1.00 0.00 C ATOM 261 O PRO A 20 -1.541 12.218 -16.925 1.00 0.00 O ATOM 262 CB PRO A 20 0.202 11.220 -19.545 1.00 0.00 C ATOM 263 CG PRO A 20 -1.046 11.188 -20.412 1.00 0.00 C ATOM 264 CD PRO A 20 -2.077 10.316 -19.713 1.00 0.00 C ATOM 0 HA PRO A 20 0.564 10.029 -17.779 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.586 12.236 -19.451 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.998 10.618 -19.984 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.435 12.196 -20.559 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.815 10.789 -21.399 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.010 10.856 -19.554 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.316 9.433 -20.306 1.00 0.00 H new ATOM 272 N SER A 21 0.680 12.141 -16.508 1.00 0.00 N ATOM 273 CA SER A 21 0.636 13.169 -15.482 1.00 0.00 C ATOM 274 C SER A 21 0.299 14.522 -16.111 1.00 0.00 C ATOM 275 O SER A 21 -0.032 14.596 -17.294 1.00 0.00 O ATOM 276 CB SER A 21 1.964 13.251 -14.726 1.00 0.00 C ATOM 277 OG SER A 21 3.054 13.549 -15.594 1.00 0.00 O ATOM 0 H SER A 21 1.608 11.757 -16.688 1.00 0.00 H new ATOM 0 HA SER A 21 -0.142 12.904 -14.766 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.895 14.017 -13.954 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.152 12.304 -14.219 1.00 0.00 H new ATOM 0 HG SER A 21 3.802 13.905 -15.070 1.00 0.00 H new ATOM 283 N LYS A 22 0.394 15.560 -15.292 1.00 0.00 N ATOM 284 CA LYS A 22 0.104 16.907 -15.754 1.00 0.00 C ATOM 285 C LYS A 22 1.110 17.298 -16.838 1.00 0.00 C ATOM 286 O LYS A 22 0.799 18.098 -17.719 1.00 0.00 O ATOM 287 CB LYS A 22 0.061 17.880 -14.575 1.00 0.00 C ATOM 288 CG LYS A 22 -0.725 19.142 -14.933 1.00 0.00 C ATOM 289 CD LYS A 22 -1.831 19.409 -13.910 1.00 0.00 C ATOM 290 CE LYS A 22 -1.699 20.811 -13.313 1.00 0.00 C ATOM 291 NZ LYS A 22 -2.660 20.994 -12.202 1.00 0.00 N ATOM 0 H LYS A 22 0.668 15.495 -14.312 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.886 16.949 -16.208 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.398 17.394 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.076 18.150 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.049 19.996 -14.974 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.162 19.033 -15.926 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.805 19.303 -14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.783 18.665 -13.115 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.682 20.964 -12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.879 21.560 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.557 21.951 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.629 20.868 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.470 20.292 -11.459 1.00 0.00 H new ATOM 305 N ASP A 23 2.295 16.714 -16.739 1.00 0.00 N ATOM 306 CA ASP A 23 3.349 16.992 -17.700 1.00 0.00 C ATOM 307 C ASP A 23 3.167 16.091 -18.924 1.00 0.00 C ATOM 308 O ASP A 23 2.857 16.573 -20.012 1.00 0.00 O ATOM 309 CB ASP A 23 4.728 16.706 -17.103 1.00 0.00 C ATOM 310 CG ASP A 23 5.695 17.891 -17.112 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.275 18.963 -17.599 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.833 17.699 -16.632 1.00 0.00 O ATOM 0 H ASP A 23 2.549 16.049 -16.008 1.00 0.00 H new ATOM 0 HA ASP A 23 3.287 18.045 -17.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.599 16.369 -16.074 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.182 15.882 -17.654 1.00 0.00 H new ATOM 317 N GLY A 24 3.368 14.800 -18.704 1.00 0.00 N ATOM 318 CA GLY A 24 3.231 13.828 -19.775 1.00 0.00 C ATOM 319 C GLY A 24 4.400 12.841 -19.773 1.00 0.00 C ATOM 320 O GLY A 24 4.255 11.701 -20.212 1.00 0.00 O ATOM 0 H GLY A 24 3.625 14.405 -17.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.292 13.286 -19.661 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.187 14.343 -20.735 1.00 0.00 H new ATOM 324 N ASP A 25 5.532 13.315 -19.275 1.00 0.00 N ATOM 325 CA ASP A 25 6.725 12.489 -19.210 1.00 0.00 C ATOM 326 C ASP A 25 6.444 11.261 -18.342 1.00 0.00 C ATOM 327 O ASP A 25 6.987 10.185 -18.587 1.00 0.00 O ATOM 328 CB ASP A 25 7.892 13.254 -18.583 1.00 0.00 C ATOM 329 CG ASP A 25 8.871 13.874 -19.582 1.00 0.00 C ATOM 330 OD1 ASP A 25 8.527 13.880 -20.784 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.941 14.328 -19.122 1.00 0.00 O ATOM 0 H ASP A 25 5.648 14.261 -18.912 1.00 0.00 H new ATOM 0 HA ASP A 25 6.989 12.199 -20.227 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.490 14.047 -17.952 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.443 12.576 -17.931 1.00 0.00 H new ATOM 336 N ARG A 26 5.595 11.463 -17.345 1.00 0.00 N ATOM 337 CA ARG A 26 5.235 10.386 -16.438 1.00 0.00 C ATOM 338 C ARG A 26 3.868 9.811 -16.815 1.00 0.00 C ATOM 339 O ARG A 26 3.078 10.469 -17.490 1.00 0.00 O ATOM 340 CB ARG A 26 5.193 10.876 -14.990 1.00 0.00 C ATOM 341 CG ARG A 26 6.551 10.692 -14.309 1.00 0.00 C ATOM 342 CD ARG A 26 6.803 9.219 -13.978 1.00 0.00 C ATOM 343 NE ARG A 26 8.233 8.893 -14.179 1.00 0.00 N ATOM 344 CZ ARG A 26 9.229 9.395 -13.436 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.957 10.249 -12.440 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.497 9.043 -13.690 1.00 0.00 N ATOM 0 H ARG A 26 5.146 12.357 -17.145 1.00 0.00 H new ATOM 0 HA ARG A 26 5.996 9.611 -16.524 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.910 11.928 -14.967 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.429 10.328 -14.439 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.342 11.062 -14.961 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.587 11.285 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.517 9.015 -12.946 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.184 8.584 -14.612 1.00 0.00 H new ATOM 0 HE ARG A 26 8.475 8.246 -14.930 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.992 10.517 -12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.715 10.631 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.704 8.393 -14.449 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.255 9.425 -13.125 1.00 0.00 H new ATOM 360 N LEU A 27 3.631 8.589 -16.361 1.00 0.00 N ATOM 361 CA LEU A 27 2.373 7.918 -16.642 1.00 0.00 C ATOM 362 C LEU A 27 1.722 7.491 -15.324 1.00 0.00 C ATOM 363 O LEU A 27 2.242 6.624 -14.623 1.00 0.00 O ATOM 364 CB LEU A 27 2.589 6.763 -17.623 1.00 0.00 C ATOM 365 CG LEU A 27 1.529 6.604 -18.715 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.207 7.250 -18.294 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.034 7.149 -20.052 1.00 0.00 C ATOM 0 H LEU A 27 4.288 8.046 -15.801 1.00 0.00 H new ATOM 0 HA LEU A 27 1.680 8.600 -17.135 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.559 6.896 -18.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.639 5.834 -17.055 1.00 0.00 H new ATOM 0 HG LEU A 27 1.337 5.540 -18.853 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.529 7.123 -19.088 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.156 6.775 -17.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.363 8.313 -18.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.262 7.024 -20.811 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.271 8.208 -19.947 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.929 6.604 -20.352 1.00 0.00 H new ATOM 379 N ILE A 28 0.595 8.121 -15.027 1.00 0.00 N ATOM 380 CA ILE A 28 -0.132 7.817 -13.806 1.00 0.00 C ATOM 381 C ILE A 28 -1.157 6.717 -14.088 1.00 0.00 C ATOM 382 O ILE A 28 -2.170 6.960 -14.743 1.00 0.00 O ATOM 383 CB ILE A 28 -0.743 9.090 -13.216 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.301 10.205 -13.118 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.406 8.805 -11.867 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.552 9.721 -12.382 1.00 0.00 C ATOM 0 H ILE A 28 0.168 8.840 -15.610 1.00 0.00 H new ATOM 0 HA ILE A 28 0.546 7.433 -13.044 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.524 9.439 -13.891 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.571 10.544 -14.118 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.124 11.062 -12.595 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.832 9.726 -11.469 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.197 8.067 -11.999 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.662 8.419 -11.170 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.278 10.532 -12.326 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.282 9.406 -11.374 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.989 8.880 -12.921 1.00 0.00 H new ATOM 398 N GLY A 29 -0.859 5.530 -13.580 1.00 0.00 N ATOM 399 CA GLY A 29 -1.742 4.392 -13.769 1.00 0.00 C ATOM 400 C GLY A 29 -2.563 4.120 -12.507 1.00 0.00 C ATOM 401 O GLY A 29 -2.029 4.134 -11.399 1.00 0.00 O ATOM 0 H GLY A 29 -0.018 5.332 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.411 4.582 -14.609 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.155 3.509 -14.022 1.00 0.00 H new ATOM 405 N ARG A 30 -3.849 3.878 -12.717 1.00 0.00 N ATOM 406 CA ARG A 30 -4.749 3.602 -11.610 1.00 0.00 C ATOM 407 C ARG A 30 -5.342 2.199 -11.745 1.00 0.00 C ATOM 408 O ARG A 30 -5.870 1.842 -12.797 1.00 0.00 O ATOM 409 CB ARG A 30 -5.885 4.626 -11.557 1.00 0.00 C ATOM 410 CG ARG A 30 -5.851 5.415 -10.246 1.00 0.00 C ATOM 411 CD ARG A 30 -6.776 6.632 -10.315 1.00 0.00 C ATOM 412 NE ARG A 30 -8.189 6.193 -10.323 1.00 0.00 N ATOM 413 CZ ARG A 30 -9.232 7.016 -10.149 1.00 0.00 C ATOM 414 NH1 ARG A 30 -9.027 8.325 -9.952 1.00 0.00 N ATOM 415 NH2 ARG A 30 -10.481 6.529 -10.171 1.00 0.00 N ATOM 0 H ARG A 30 -4.289 3.867 -13.637 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.171 3.668 -10.688 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.801 5.311 -12.400 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.844 4.116 -11.654 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.154 4.770 -9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.831 5.740 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.594 7.286 -9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.562 7.212 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.381 5.202 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.077 8.695 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.821 8.951 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.637 5.532 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.275 7.155 -10.039 1.00 0.00 H new ATOM 429 N ILE A 31 -5.236 1.439 -10.664 1.00 0.00 N ATOM 430 CA ILE A 31 -5.755 0.083 -10.648 1.00 0.00 C ATOM 431 C ILE A 31 -6.751 -0.064 -9.497 1.00 0.00 C ATOM 432 O ILE A 31 -6.361 -0.065 -8.330 1.00 0.00 O ATOM 433 CB ILE A 31 -4.609 -0.929 -10.602 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.860 -0.971 -11.936 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.114 -2.312 -10.186 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.712 0.041 -11.952 1.00 0.00 C ATOM 0 H ILE A 31 -4.798 1.738 -9.793 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.298 -0.127 -11.569 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.898 -0.604 -9.843 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.468 -1.974 -12.106 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.550 -0.756 -12.752 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.279 -3.012 -10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.566 -2.252 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.857 -2.659 -10.904 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.196 -0.009 -12.911 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.110 1.045 -11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.011 -0.191 -11.150 1.00 0.00 H new ATOM 448 N LEU A 32 -8.019 -0.185 -9.864 1.00 0.00 N ATOM 449 CA LEU A 32 -9.074 -0.332 -8.876 1.00 0.00 C ATOM 450 C LEU A 32 -9.590 -1.772 -8.899 1.00 0.00 C ATOM 451 O LEU A 32 -10.123 -2.228 -9.909 1.00 0.00 O ATOM 452 CB LEU A 32 -10.165 0.717 -9.098 1.00 0.00 C ATOM 453 CG LEU A 32 -11.459 0.517 -8.305 1.00 0.00 C ATOM 454 CD1 LEU A 32 -11.369 1.187 -6.933 1.00 0.00 C ATOM 455 CD2 LEU A 32 -12.671 1.003 -9.102 1.00 0.00 C ATOM 0 H LEU A 32 -8.339 -0.184 -10.832 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.687 -0.148 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.756 1.696 -8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.412 0.737 -10.159 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.594 -0.551 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.301 1.030 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.543 0.753 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.199 2.256 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.577 0.849 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.558 2.064 -9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.742 0.442 -10.034 1.00 0.00 H new ATOM 467 N LEU A 33 -9.415 -2.447 -7.772 1.00 0.00 N ATOM 468 CA LEU A 33 -9.857 -3.826 -7.650 1.00 0.00 C ATOM 469 C LEU A 33 -11.194 -3.864 -6.907 1.00 0.00 C ATOM 470 O LEU A 33 -11.401 -3.112 -5.956 1.00 0.00 O ATOM 471 CB LEU A 33 -8.768 -4.682 -7.001 1.00 0.00 C ATOM 472 CG LEU A 33 -7.479 -4.852 -7.808 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.774 -4.903 -9.308 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.467 -3.758 -7.460 1.00 0.00 C ATOM 0 H LEU A 33 -8.973 -2.065 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.027 -4.261 -8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.514 -4.242 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.181 -5.671 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.029 -5.807 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.841 -5.024 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.433 -5.745 -9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.259 -3.976 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.560 -3.901 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.895 -2.781 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.225 -3.811 -6.399 1.00 0.00 H new ATOM 486 N ASN A 34 -12.066 -4.748 -7.368 1.00 0.00 N ATOM 487 CA ASN A 34 -13.377 -4.895 -6.759 1.00 0.00 C ATOM 488 C ASN A 34 -13.658 -6.378 -6.512 1.00 0.00 C ATOM 489 O ASN A 34 -13.840 -7.145 -7.457 1.00 0.00 O ATOM 490 CB ASN A 34 -14.475 -4.352 -7.676 1.00 0.00 C ATOM 491 CG ASN A 34 -15.854 -4.507 -7.032 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.606 -5.422 -7.327 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.143 -3.565 -6.140 1.00 0.00 N ATOM 0 H ASN A 34 -11.890 -5.370 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.378 -4.335 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.287 -3.300 -7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.453 -4.881 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.040 -3.580 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.468 -2.827 -5.940 1.00 0.00 H new ATOM 500 N LYS A 35 -13.683 -6.739 -5.238 1.00 0.00 N ATOM 501 CA LYS A 35 -13.937 -8.118 -4.855 1.00 0.00 C ATOM 502 C LYS A 35 -15.339 -8.224 -4.250 1.00 0.00 C ATOM 503 O LYS A 35 -15.639 -9.177 -3.533 1.00 0.00 O ATOM 504 CB LYS A 35 -12.829 -8.632 -3.934 1.00 0.00 C ATOM 505 CG LYS A 35 -12.929 -7.992 -2.547 1.00 0.00 C ATOM 506 CD LYS A 35 -11.992 -6.788 -2.430 1.00 0.00 C ATOM 507 CE LYS A 35 -10.597 -7.221 -1.975 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.816 -6.050 -1.516 1.00 0.00 N ATOM 0 H LYS A 35 -13.532 -6.101 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.917 -8.767 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.899 -9.716 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.855 -8.411 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.956 -7.678 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.678 -8.728 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.923 -6.281 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.403 -6.070 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.681 -7.949 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.077 -7.714 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.959 -6.375 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.547 -5.469 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.393 -5.482 -0.864 1.00 0.00 H new ATOM 522 N ARG A 36 -16.160 -7.231 -4.562 1.00 0.00 N ATOM 523 CA ARG A 36 -17.522 -7.201 -4.058 1.00 0.00 C ATOM 524 C ARG A 36 -18.390 -8.210 -4.814 1.00 0.00 C ATOM 525 O ARG A 36 -18.478 -8.162 -6.040 1.00 0.00 O ATOM 526 CB ARG A 36 -18.132 -5.805 -4.202 1.00 0.00 C ATOM 527 CG ARG A 36 -17.760 -4.919 -3.011 1.00 0.00 C ATOM 528 CD ARG A 36 -18.352 -3.517 -3.165 1.00 0.00 C ATOM 529 NE ARG A 36 -19.289 -3.238 -2.054 1.00 0.00 N ATOM 530 CZ ARG A 36 -19.821 -2.034 -1.805 1.00 0.00 C ATOM 531 NH1 ARG A 36 -19.512 -0.990 -2.586 1.00 0.00 N ATOM 532 NH2 ARG A 36 -20.662 -1.874 -0.774 1.00 0.00 N ATOM 0 H ARG A 36 -15.908 -6.442 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.490 -7.464 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.782 -5.345 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.217 -5.884 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -18.124 -5.372 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.675 -4.852 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.553 -2.775 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.872 -3.436 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 36 -19.546 -4.011 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.872 -1.112 -3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.917 -0.073 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.897 -2.669 -0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -21.067 -0.957 -0.584 1.00 0.00 H new ATOM 546 N LEU A 37 -19.009 -9.098 -4.051 1.00 0.00 N ATOM 547 CA LEU A 37 -19.867 -10.116 -4.633 1.00 0.00 C ATOM 548 C LEU A 37 -20.996 -9.440 -5.415 1.00 0.00 C ATOM 549 O LEU A 37 -21.106 -8.215 -5.417 1.00 0.00 O ATOM 550 CB LEU A 37 -20.360 -11.083 -3.555 1.00 0.00 C ATOM 551 CG LEU A 37 -19.292 -11.972 -2.913 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.808 -12.599 -1.616 1.00 0.00 C ATOM 553 CD2 LEU A 37 -18.792 -13.028 -3.901 1.00 0.00 C ATOM 0 H LEU A 37 -18.934 -9.134 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.307 -10.725 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.843 -10.503 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -21.124 -11.725 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.439 -11.346 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.030 -13.226 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.076 -11.811 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.686 -13.208 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.034 -13.646 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.626 -13.655 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.359 -12.536 -4.772 1.00 0.00 H new ATOM 565 N LYS A 38 -21.805 -10.268 -6.059 1.00 0.00 N ATOM 566 CA LYS A 38 -22.921 -9.765 -6.842 1.00 0.00 C ATOM 567 C LYS A 38 -23.802 -8.881 -5.957 1.00 0.00 C ATOM 568 O LYS A 38 -24.109 -7.746 -6.318 1.00 0.00 O ATOM 569 CB LYS A 38 -23.676 -10.921 -7.502 1.00 0.00 C ATOM 570 CG LYS A 38 -24.023 -10.591 -8.955 1.00 0.00 C ATOM 571 CD LYS A 38 -25.519 -10.771 -9.216 1.00 0.00 C ATOM 572 CE LYS A 38 -26.055 -9.660 -10.122 1.00 0.00 C ATOM 573 NZ LYS A 38 -27.434 -9.971 -10.562 1.00 0.00 N ATOM 0 H LYS A 38 -21.710 -11.284 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.562 -9.140 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.068 -11.825 -7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.589 -11.129 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.732 -9.564 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.453 -11.236 -9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -25.697 -11.741 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -26.060 -10.766 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -26.043 -8.710 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.407 -9.546 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -27.783 -9.207 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -27.436 -10.868 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -28.053 -10.057 -9.730 1.00 0.00 H new ATOM 587 N ASP A 39 -24.184 -9.435 -4.816 1.00 0.00 N ATOM 588 CA ASP A 39 -25.024 -8.710 -3.877 1.00 0.00 C ATOM 589 C ASP A 39 -24.343 -7.392 -3.503 1.00 0.00 C ATOM 590 O ASP A 39 -25.003 -6.453 -3.061 1.00 0.00 O ATOM 591 CB ASP A 39 -25.235 -9.515 -2.593 1.00 0.00 C ATOM 592 CG ASP A 39 -26.694 -9.670 -2.159 1.00 0.00 C ATOM 593 OD1 ASP A 39 -27.400 -10.465 -2.817 1.00 0.00 O ATOM 594 OD2 ASP A 39 -27.070 -8.991 -1.180 1.00 0.00 O ATOM 0 H ASP A 39 -23.928 -10.377 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.988 -8.532 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.805 -10.507 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.681 -9.035 -1.786 1.00 0.00 H new ATOM 599 N GLY A 40 -23.032 -7.365 -3.694 1.00 0.00 N ATOM 600 CA GLY A 40 -22.255 -6.177 -3.381 1.00 0.00 C ATOM 601 C GLY A 40 -21.601 -6.297 -2.004 1.00 0.00 C ATOM 602 O GLY A 40 -21.234 -5.291 -1.398 1.00 0.00 O ATOM 0 H GLY A 40 -22.488 -8.146 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.487 -6.030 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.900 -5.299 -3.406 1.00 0.00 H new ATOM 606 N SER A 41 -21.475 -7.535 -1.549 1.00 0.00 N ATOM 607 CA SER A 41 -20.871 -7.799 -0.254 1.00 0.00 C ATOM 608 C SER A 41 -19.638 -8.688 -0.423 1.00 0.00 C ATOM 609 O SER A 41 -19.729 -9.784 -0.975 1.00 0.00 O ATOM 610 CB SER A 41 -21.873 -8.456 0.697 1.00 0.00 C ATOM 611 OG SER A 41 -22.981 -7.605 0.976 1.00 0.00 O ATOM 0 H SER A 41 -21.781 -8.367 -2.054 1.00 0.00 H new ATOM 0 HA SER A 41 -20.567 -6.847 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.232 -9.387 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.371 -8.716 1.629 1.00 0.00 H new ATOM 0 HG SER A 41 -23.599 -8.061 1.585 1.00 0.00 H new ATOM 617 N VAL A 42 -18.512 -8.184 0.062 1.00 0.00 N ATOM 618 CA VAL A 42 -17.262 -8.919 -0.029 1.00 0.00 C ATOM 619 C VAL A 42 -17.351 -10.176 0.839 1.00 0.00 C ATOM 620 O VAL A 42 -17.923 -10.144 1.927 1.00 0.00 O ATOM 621 CB VAL A 42 -16.092 -8.010 0.352 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.761 -8.759 0.251 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.077 -6.746 -0.509 1.00 0.00 C ATOM 0 H VAL A 42 -18.440 -7.275 0.519 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.083 -9.244 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.227 -7.706 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.945 -8.091 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.773 -9.615 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.615 -9.106 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.236 -6.117 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.977 -7.022 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.007 -6.197 -0.365 1.00 0.00 H new ATOM 633 N PRO A 43 -16.760 -11.282 0.312 1.00 0.00 N ATOM 634 CA PRO A 43 -16.767 -12.547 1.027 1.00 0.00 C ATOM 635 C PRO A 43 -15.770 -12.526 2.187 1.00 0.00 C ATOM 636 O PRO A 43 -15.065 -11.538 2.387 1.00 0.00 O ATOM 637 CB PRO A 43 -16.433 -13.593 -0.024 1.00 0.00 C ATOM 638 CG PRO A 43 -15.799 -12.837 -1.179 1.00 0.00 C ATOM 639 CD PRO A 43 -16.073 -11.356 -0.974 1.00 0.00 C ATOM 0 HA PRO A 43 -17.728 -12.762 1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.749 -14.342 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.330 -14.121 -0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.726 -13.025 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.214 -13.174 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.148 -10.780 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.690 -10.952 -1.777 1.00 0.00 H new ATOM 647 N ARG A 44 -15.745 -13.627 2.923 1.00 0.00 N ATOM 648 CA ARG A 44 -14.847 -13.748 4.059 1.00 0.00 C ATOM 649 C ARG A 44 -13.497 -13.103 3.739 1.00 0.00 C ATOM 650 O ARG A 44 -12.854 -12.531 4.618 1.00 0.00 O ATOM 651 CB ARG A 44 -14.627 -15.215 4.434 1.00 0.00 C ATOM 652 CG ARG A 44 -15.445 -15.593 5.671 1.00 0.00 C ATOM 653 CD ARG A 44 -14.547 -15.722 6.903 1.00 0.00 C ATOM 654 NE ARG A 44 -14.705 -14.535 7.772 1.00 0.00 N ATOM 655 CZ ARG A 44 -15.768 -14.315 8.557 1.00 0.00 C ATOM 656 NH1 ARG A 44 -16.774 -15.200 8.587 1.00 0.00 N ATOM 657 NH2 ARG A 44 -15.826 -13.209 9.312 1.00 0.00 N ATOM 0 H ARG A 44 -16.332 -14.444 2.755 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.309 -13.235 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.909 -15.854 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.568 -15.390 4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.209 -14.837 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.964 -16.535 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.803 -16.625 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.506 -15.822 6.595 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.958 -13.841 7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.730 -16.041 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.583 -15.032 9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.061 -12.535 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.635 -13.041 9.910 1.00 0.00 H new ATOM 671 N ASP A 45 -13.107 -13.217 2.478 1.00 0.00 N ATOM 672 CA ASP A 45 -11.845 -12.652 2.030 1.00 0.00 C ATOM 673 C ASP A 45 -11.543 -13.146 0.614 1.00 0.00 C ATOM 674 O ASP A 45 -11.058 -14.262 0.433 1.00 0.00 O ATOM 675 CB ASP A 45 -10.694 -13.088 2.939 1.00 0.00 C ATOM 676 CG ASP A 45 -10.773 -14.533 3.434 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.224 -15.383 2.636 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.380 -14.756 4.600 1.00 0.00 O ATOM 0 H ASP A 45 -13.643 -13.692 1.752 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.934 -11.566 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.756 -12.955 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.662 -12.425 3.803 1.00 0.00 H new ATOM 683 N SER A 46 -11.843 -12.292 -0.353 1.00 0.00 N ATOM 684 CA SER A 46 -11.609 -12.627 -1.747 1.00 0.00 C ATOM 685 C SER A 46 -10.166 -12.296 -2.131 1.00 0.00 C ATOM 686 O SER A 46 -9.763 -12.494 -3.276 1.00 0.00 O ATOM 687 CB SER A 46 -12.585 -11.886 -2.663 1.00 0.00 C ATOM 688 OG SER A 46 -12.073 -11.743 -3.985 1.00 0.00 O ATOM 0 H SER A 46 -12.246 -11.368 -0.199 1.00 0.00 H new ATOM 0 HA SER A 46 -11.775 -13.697 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.531 -12.426 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.795 -10.901 -2.247 1.00 0.00 H new ATOM 0 HG SER A 46 -11.279 -12.307 -4.091 1.00 0.00 H new ATOM 694 N GLY A 47 -9.426 -11.798 -1.151 1.00 0.00 N ATOM 695 CA GLY A 47 -8.036 -11.438 -1.371 1.00 0.00 C ATOM 696 C GLY A 47 -7.767 -9.997 -0.933 1.00 0.00 C ATOM 697 O GLY A 47 -7.674 -9.098 -1.767 1.00 0.00 O ATOM 0 H GLY A 47 -9.763 -11.635 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.389 -12.117 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.789 -11.553 -2.426 1.00 0.00 H new ATOM 701 N ALA A 48 -7.649 -9.823 0.375 1.00 0.00 N ATOM 702 CA ALA A 48 -7.392 -8.506 0.935 1.00 0.00 C ATOM 703 C ALA A 48 -6.166 -7.897 0.252 1.00 0.00 C ATOM 704 O ALA A 48 -6.092 -6.683 0.069 1.00 0.00 O ATOM 705 CB ALA A 48 -7.219 -8.621 2.451 1.00 0.00 C ATOM 0 H ALA A 48 -7.727 -10.572 1.064 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.235 -7.840 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.026 -7.634 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.128 -9.031 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.379 -9.280 2.672 1.00 0.00 H new ATOM 711 N MET A 49 -5.233 -8.768 -0.105 1.00 0.00 N ATOM 712 CA MET A 49 -4.014 -8.332 -0.763 1.00 0.00 C ATOM 713 C MET A 49 -4.217 -8.217 -2.275 1.00 0.00 C ATOM 714 O MET A 49 -3.261 -8.008 -3.020 1.00 0.00 O ATOM 715 CB MET A 49 -2.891 -9.330 -0.473 1.00 0.00 C ATOM 716 CG MET A 49 -2.013 -8.847 0.683 1.00 0.00 C ATOM 717 SD MET A 49 -0.327 -8.652 0.129 1.00 0.00 S ATOM 718 CE MET A 49 -0.461 -7.091 -0.727 1.00 0.00 C ATOM 0 H MET A 49 -5.297 -9.774 0.049 1.00 0.00 H new ATOM 0 HA MET A 49 -3.747 -7.349 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.318 -10.302 -0.228 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.281 -9.466 -1.366 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.391 -7.899 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.054 -9.562 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.456 -6.903 -1.286 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.305 -7.125 -1.415 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.615 -6.291 -0.003 1.00 0.00 H new ATOM 728 N LEU A 50 -5.470 -8.359 -2.684 1.00 0.00 N ATOM 729 CA LEU A 50 -5.811 -8.274 -4.093 1.00 0.00 C ATOM 730 C LEU A 50 -5.206 -9.469 -4.833 1.00 0.00 C ATOM 731 O LEU A 50 -5.929 -10.355 -5.286 1.00 0.00 O ATOM 732 CB LEU A 50 -5.390 -6.919 -4.666 1.00 0.00 C ATOM 733 CG LEU A 50 -6.105 -5.696 -4.088 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.613 -5.773 -4.336 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.777 -5.519 -2.604 1.00 0.00 C ATOM 0 H LEU A 50 -6.261 -8.532 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.891 -8.329 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.318 -6.797 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.554 -6.936 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.738 -4.810 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.096 -4.891 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.804 -5.814 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.015 -6.668 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.298 -4.643 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.097 -6.403 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.702 -5.385 -2.482 1.00 0.00 H new ATOM 747 N GLY A 51 -3.885 -9.455 -4.933 1.00 0.00 N ATOM 748 CA GLY A 51 -3.174 -10.526 -5.610 1.00 0.00 C ATOM 749 C GLY A 51 -1.782 -10.068 -6.050 1.00 0.00 C ATOM 750 O GLY A 51 -1.335 -10.394 -7.148 1.00 0.00 O ATOM 0 H GLY A 51 -3.288 -8.719 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.085 -11.385 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.745 -10.853 -6.479 1.00 0.00 H new ATOM 754 N LEU A 52 -1.135 -9.320 -5.168 1.00 0.00 N ATOM 755 CA LEU A 52 0.198 -8.814 -5.451 1.00 0.00 C ATOM 756 C LEU A 52 0.907 -8.493 -4.134 1.00 0.00 C ATOM 757 O LEU A 52 0.286 -8.501 -3.073 1.00 0.00 O ATOM 758 CB LEU A 52 0.127 -7.629 -6.416 1.00 0.00 C ATOM 759 CG LEU A 52 -0.183 -6.269 -5.787 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.079 -5.640 -5.192 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.866 -5.342 -6.794 1.00 0.00 C ATOM 0 H LEU A 52 -1.509 -9.052 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 52 0.794 -9.573 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.080 -7.556 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.634 -7.842 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.883 -6.424 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.831 -4.674 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.485 -6.297 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.821 -5.500 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.075 -4.382 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.210 -5.189 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.800 -5.793 -7.128 1.00 0.00 H new ATOM 773 N LYS A 53 2.199 -8.219 -4.246 1.00 0.00 N ATOM 774 CA LYS A 53 2.999 -7.896 -3.078 1.00 0.00 C ATOM 775 C LYS A 53 3.661 -6.531 -3.279 1.00 0.00 C ATOM 776 O LYS A 53 4.204 -6.252 -4.347 1.00 0.00 O ATOM 777 CB LYS A 53 3.991 -9.022 -2.780 1.00 0.00 C ATOM 778 CG LYS A 53 3.944 -9.417 -1.302 1.00 0.00 C ATOM 779 CD LYS A 53 5.354 -9.512 -0.715 1.00 0.00 C ATOM 780 CE LYS A 53 5.357 -9.135 0.768 1.00 0.00 C ATOM 781 NZ LYS A 53 4.651 -10.162 1.565 1.00 0.00 N ATOM 0 H LYS A 53 2.711 -8.214 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 53 2.366 -7.817 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.760 -9.889 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.999 -8.702 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.363 -8.683 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.436 -10.375 -1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.735 -10.526 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.025 -8.851 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.383 -9.034 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.876 -8.166 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.677 -9.899 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.662 -10.227 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.117 -11.083 1.436 1.00 0.00 H new ATOM 795 N VAL A 54 3.594 -5.717 -2.236 1.00 0.00 N ATOM 796 CA VAL A 54 4.180 -4.388 -2.285 1.00 0.00 C ATOM 797 C VAL A 54 5.162 -4.225 -1.123 1.00 0.00 C ATOM 798 O VAL A 54 4.907 -4.703 -0.019 1.00 0.00 O ATOM 799 CB VAL A 54 3.076 -3.329 -2.287 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.669 -1.919 -2.307 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.118 -3.538 -3.462 1.00 0.00 C ATOM 0 H VAL A 54 3.143 -5.952 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 54 4.743 -4.253 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 54 2.505 -3.439 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.863 -1.185 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.291 -1.773 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.276 -1.792 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.343 -2.772 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.671 -3.468 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.657 -4.523 -3.385 1.00 0.00 H new ATOM 811 N VAL A 55 6.265 -3.550 -1.413 1.00 0.00 N ATOM 812 CA VAL A 55 7.286 -3.318 -0.406 1.00 0.00 C ATOM 813 C VAL A 55 7.465 -1.812 -0.203 1.00 0.00 C ATOM 814 O VAL A 55 7.935 -1.113 -1.100 1.00 0.00 O ATOM 815 CB VAL A 55 8.583 -4.026 -0.804 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.800 -3.317 -0.206 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.552 -5.500 -0.395 1.00 0.00 C ATOM 0 H VAL A 55 6.474 -3.157 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 55 6.981 -3.740 0.551 1.00 0.00 H new ATOM 0 HB VAL A 55 8.669 -3.982 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.709 -3.840 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.837 -2.290 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.722 -3.315 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.486 -5.979 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.431 -5.575 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.717 -5.997 -0.889 1.00 0.00 H new ATOM 827 N GLY A 56 7.080 -1.357 0.980 1.00 0.00 N ATOM 828 CA GLY A 56 7.192 0.054 1.311 1.00 0.00 C ATOM 829 C GLY A 56 8.461 0.328 2.121 1.00 0.00 C ATOM 830 O GLY A 56 9.271 -0.573 2.336 1.00 0.00 O ATOM 0 H GLY A 56 6.690 -1.940 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.206 0.646 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.318 0.368 1.881 1.00 0.00 H new ATOM 834 N GLY A 57 8.594 1.575 2.548 1.00 0.00 N ATOM 835 CA GLY A 57 9.750 1.979 3.330 1.00 0.00 C ATOM 836 C GLY A 57 11.036 1.856 2.510 1.00 0.00 C ATOM 837 O GLY A 57 12.135 1.962 3.053 1.00 0.00 O ATOM 0 H GLY A 57 7.920 2.319 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.625 3.009 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.824 1.360 4.224 1.00 0.00 H new ATOM 841 N LYS A 58 10.856 1.635 1.216 1.00 0.00 N ATOM 842 CA LYS A 58 11.988 1.497 0.316 1.00 0.00 C ATOM 843 C LYS A 58 12.684 2.852 0.167 1.00 0.00 C ATOM 844 O LYS A 58 12.078 3.817 -0.295 1.00 0.00 O ATOM 845 CB LYS A 58 11.544 0.884 -1.014 1.00 0.00 C ATOM 846 CG LYS A 58 12.719 0.776 -1.988 1.00 0.00 C ATOM 847 CD LYS A 58 12.885 -0.659 -2.490 1.00 0.00 C ATOM 848 CE LYS A 58 12.192 -0.852 -3.840 1.00 0.00 C ATOM 849 NZ LYS A 58 13.154 -1.347 -4.850 1.00 0.00 N ATOM 0 H LYS A 58 9.943 1.548 0.770 1.00 0.00 H new ATOM 0 HA LYS A 58 12.722 0.805 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.120 -0.105 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.756 1.495 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.557 1.444 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.635 1.101 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.945 -0.894 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.468 -1.354 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.369 -1.559 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.760 0.092 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.667 -1.473 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.925 -0.658 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.546 -2.258 -4.538 1.00 0.00 H new ATOM 863 N MET A 59 13.947 2.879 0.567 1.00 0.00 N ATOM 864 CA MET A 59 14.732 4.099 0.484 1.00 0.00 C ATOM 865 C MET A 59 15.340 4.266 -0.909 1.00 0.00 C ATOM 866 O MET A 59 16.250 3.528 -1.286 1.00 0.00 O ATOM 867 CB MET A 59 15.849 4.060 1.529 1.00 0.00 C ATOM 868 CG MET A 59 16.147 5.461 2.067 1.00 0.00 C ATOM 869 SD MET A 59 15.238 5.740 3.577 1.00 0.00 S ATOM 870 CE MET A 59 14.515 7.331 3.214 1.00 0.00 C ATOM 0 H MET A 59 14.446 2.076 0.949 1.00 0.00 H new ATOM 0 HA MET A 59 14.074 4.946 0.676 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.560 3.405 2.351 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.751 3.637 1.087 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.216 5.569 2.251 1.00 0.00 H new ATOM 0 HG3 MET A 59 15.874 6.211 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 59 13.813 7.600 4.003 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.302 8.083 3.156 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.988 7.282 2.261 1.00 0.00 H new ATOM 880 N THR A 60 14.814 5.240 -1.637 1.00 0.00 N ATOM 881 CA THR A 60 15.294 5.513 -2.981 1.00 0.00 C ATOM 882 C THR A 60 16.634 6.249 -2.930 1.00 0.00 C ATOM 883 O THR A 60 17.312 6.241 -1.903 1.00 0.00 O ATOM 884 CB THR A 60 14.204 6.287 -3.725 1.00 0.00 C ATOM 885 OG1 THR A 60 14.023 7.467 -2.946 1.00 0.00 O ATOM 886 CG2 THR A 60 12.844 5.588 -3.664 1.00 0.00 C ATOM 0 H THR A 60 14.060 5.850 -1.321 1.00 0.00 H new ATOM 0 HA THR A 60 15.487 4.589 -3.527 1.00 0.00 H new ATOM 0 HB THR A 60 14.498 6.418 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.409 7.279 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.107 6.179 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.922 4.600 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.533 5.487 -2.624 1.00 0.00 H new ATOM 894 N GLU A 61 16.977 6.867 -4.050 1.00 0.00 N ATOM 895 CA GLU A 61 18.224 7.606 -4.146 1.00 0.00 C ATOM 896 C GLU A 61 17.996 9.080 -3.802 1.00 0.00 C ATOM 897 O GLU A 61 18.934 9.875 -3.807 1.00 0.00 O ATOM 898 CB GLU A 61 18.845 7.458 -5.536 1.00 0.00 C ATOM 899 CG GLU A 61 17.788 7.634 -6.629 1.00 0.00 C ATOM 900 CD GLU A 61 18.378 8.338 -7.853 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.979 9.415 -7.653 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.214 7.783 -8.961 1.00 0.00 O ATOM 0 H GLU A 61 16.413 6.871 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 61 18.926 7.189 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.635 8.198 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.309 6.476 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.394 6.660 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.950 8.213 -6.240 1.00 0.00 H new ATOM 909 N SER A 62 16.743 9.399 -3.510 1.00 0.00 N ATOM 910 CA SER A 62 16.379 10.762 -3.164 1.00 0.00 C ATOM 911 C SER A 62 16.017 10.847 -1.680 1.00 0.00 C ATOM 912 O SER A 62 15.529 11.875 -1.214 1.00 0.00 O ATOM 913 CB SER A 62 15.215 11.257 -4.024 1.00 0.00 C ATOM 914 OG SER A 62 15.376 12.619 -4.409 1.00 0.00 O ATOM 0 H SER A 62 15.968 8.736 -3.506 1.00 0.00 H new ATOM 0 HA SER A 62 17.238 11.405 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.134 10.636 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.282 11.145 -3.471 1.00 0.00 H new ATOM 0 HG SER A 62 14.613 12.896 -4.958 1.00 0.00 H new ATOM 920 N GLY A 63 16.269 9.751 -0.979 1.00 0.00 N ATOM 921 CA GLY A 63 15.975 9.689 0.443 1.00 0.00 C ATOM 922 C GLY A 63 14.467 9.609 0.688 1.00 0.00 C ATOM 923 O GLY A 63 14.010 9.756 1.821 1.00 0.00 O ATOM 0 H GLY A 63 16.673 8.899 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.465 8.820 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.382 10.569 0.941 1.00 0.00 H new ATOM 927 N ARG A 64 13.736 9.376 -0.392 1.00 0.00 N ATOM 928 CA ARG A 64 12.289 9.275 -0.308 1.00 0.00 C ATOM 929 C ARG A 64 11.867 7.812 -0.160 1.00 0.00 C ATOM 930 O ARG A 64 12.598 6.908 -0.560 1.00 0.00 O ATOM 931 CB ARG A 64 11.622 9.868 -1.552 1.00 0.00 C ATOM 932 CG ARG A 64 10.971 11.215 -1.236 1.00 0.00 C ATOM 933 CD ARG A 64 10.538 11.930 -2.518 1.00 0.00 C ATOM 934 NE ARG A 64 10.042 13.287 -2.198 1.00 0.00 N ATOM 935 CZ ARG A 64 9.306 14.033 -3.033 1.00 0.00 C ATOM 936 NH1 ARG A 64 8.978 13.559 -4.242 1.00 0.00 N ATOM 937 NH2 ARG A 64 8.899 15.254 -2.658 1.00 0.00 N ATOM 0 H ARG A 64 14.119 9.254 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 64 11.967 9.840 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.363 9.995 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.869 9.176 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.106 11.062 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.673 11.842 -0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.378 11.995 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.757 11.357 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 64 10.275 13.679 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.288 12.630 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.418 14.127 -4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.150 15.615 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.339 15.822 -3.293 1.00 0.00 H new ATOM 951 N LEU A 65 10.688 7.625 0.417 1.00 0.00 N ATOM 952 CA LEU A 65 10.160 6.287 0.623 1.00 0.00 C ATOM 953 C LEU A 65 8.924 6.091 -0.257 1.00 0.00 C ATOM 954 O LEU A 65 8.117 7.006 -0.414 1.00 0.00 O ATOM 955 CB LEU A 65 9.903 6.036 2.110 1.00 0.00 C ATOM 956 CG LEU A 65 11.114 6.180 3.034 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.677 6.318 4.493 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.095 5.022 2.836 1.00 0.00 C ATOM 0 H LEU A 65 10.084 8.378 0.748 1.00 0.00 H new ATOM 0 HA LEU A 65 10.890 5.537 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.130 6.727 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.502 5.029 2.224 1.00 0.00 H new ATOM 0 HG LEU A 65 11.640 7.097 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.557 6.419 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.047 7.201 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.115 5.433 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.947 5.148 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.595 4.079 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.443 5.012 1.803 1.00 0.00 H new ATOM 970 N CYS A 66 8.814 4.890 -0.807 1.00 0.00 N ATOM 971 CA CYS A 66 7.689 4.562 -1.667 1.00 0.00 C ATOM 972 C CYS A 66 7.468 3.049 -1.612 1.00 0.00 C ATOM 973 O CYS A 66 8.283 2.319 -1.050 1.00 0.00 O ATOM 974 CB CYS A 66 7.909 5.055 -3.099 1.00 0.00 C ATOM 975 SG CYS A 66 6.297 5.358 -3.911 1.00 0.00 S ATOM 0 H CYS A 66 9.485 4.133 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 66 6.794 5.072 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.499 5.971 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.477 4.316 -3.664 1.00 0.00 H new ATOM 0 HG CYS A 66 5.800 4.230 -4.323 1.00 0.00 H new ATOM 981 N ALA A 67 6.362 2.623 -2.204 1.00 0.00 N ATOM 982 CA ALA A 67 6.024 1.210 -2.230 1.00 0.00 C ATOM 983 C ALA A 67 6.041 0.712 -3.676 1.00 0.00 C ATOM 984 O ALA A 67 5.381 1.285 -4.542 1.00 0.00 O ATOM 985 CB ALA A 67 4.667 0.997 -1.556 1.00 0.00 C ATOM 0 H ALA A 67 5.688 3.231 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 67 6.760 0.630 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.413 -0.063 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.716 1.339 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.903 1.563 -2.089 1.00 0.00 H new ATOM 991 N PHE A 68 6.803 -0.350 -3.894 1.00 0.00 N ATOM 992 CA PHE A 68 6.914 -0.932 -5.221 1.00 0.00 C ATOM 993 C PHE A 68 6.532 -2.413 -5.204 1.00 0.00 C ATOM 994 O PHE A 68 6.862 -3.133 -4.263 1.00 0.00 O ATOM 995 CB PHE A 68 8.379 -0.800 -5.645 1.00 0.00 C ATOM 996 CG PHE A 68 8.958 0.603 -5.455 1.00 0.00 C ATOM 997 CD1 PHE A 68 8.861 1.520 -6.454 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.570 0.933 -4.286 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.399 2.822 -6.277 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.108 2.235 -4.109 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.011 3.152 -5.109 1.00 0.00 C ATOM 0 H PHE A 68 7.349 -0.823 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 68 6.243 -0.419 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.977 -1.509 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.469 -1.080 -6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.375 1.258 -7.382 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.647 0.205 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.322 3.550 -7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.594 2.497 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.420 4.142 -4.975 1.00 0.00 H new ATOM 1011 N ILE A 69 5.840 -2.824 -6.257 1.00 0.00 N ATOM 1012 CA ILE A 69 5.409 -4.207 -6.375 1.00 0.00 C ATOM 1013 C ILE A 69 6.633 -5.104 -6.571 1.00 0.00 C ATOM 1014 O ILE A 69 7.491 -4.815 -7.403 1.00 0.00 O ATOM 1015 CB ILE A 69 4.360 -4.348 -7.481 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.164 -3.429 -7.223 1.00 0.00 C ATOM 1017 CG2 ILE A 69 3.935 -5.808 -7.650 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.204 -3.431 -8.414 1.00 0.00 C ATOM 0 H ILE A 69 5.567 -2.224 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 69 4.919 -4.533 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 69 4.811 -4.033 -8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.637 -3.755 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.514 -2.414 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.189 -5.881 -8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.804 -6.412 -7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.509 -6.173 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.363 -2.770 -8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.727 -3.081 -9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.837 -4.443 -8.583 1.00 0.00 H new ATOM 1030 N THR A 70 6.674 -6.173 -5.789 1.00 0.00 N ATOM 1031 CA THR A 70 7.778 -7.114 -5.866 1.00 0.00 C ATOM 1032 C THR A 70 7.320 -8.422 -6.513 1.00 0.00 C ATOM 1033 O THR A 70 8.138 -9.184 -7.027 1.00 0.00 O ATOM 1034 CB THR A 70 8.341 -7.297 -4.455 1.00 0.00 C ATOM 1035 OG1 THR A 70 7.371 -8.108 -3.797 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.346 -5.995 -3.652 1.00 0.00 C ATOM 0 H THR A 70 5.960 -6.408 -5.099 1.00 0.00 H new ATOM 0 HA THR A 70 8.577 -6.736 -6.504 1.00 0.00 H new ATOM 0 HB THR A 70 9.357 -7.687 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.657 -8.278 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.755 -6.181 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.960 -5.254 -4.164 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.327 -5.620 -3.560 1.00 0.00 H new ATOM 1044 N LYS A 71 6.015 -8.644 -6.465 1.00 0.00 N ATOM 1045 CA LYS A 71 5.439 -9.847 -7.040 1.00 0.00 C ATOM 1046 C LYS A 71 3.929 -9.657 -7.202 1.00 0.00 C ATOM 1047 O LYS A 71 3.286 -9.026 -6.364 1.00 0.00 O ATOM 1048 CB LYS A 71 5.819 -11.074 -6.208 1.00 0.00 C ATOM 1049 CG LYS A 71 5.262 -12.354 -6.833 1.00 0.00 C ATOM 1050 CD LYS A 71 6.161 -13.552 -6.522 1.00 0.00 C ATOM 1051 CE LYS A 71 6.645 -14.223 -7.809 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.449 -15.426 -7.495 1.00 0.00 N ATOM 0 H LYS A 71 5.340 -8.011 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 71 5.847 -10.027 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.904 -11.144 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.435 -10.963 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.257 -12.541 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.177 -12.229 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.018 -13.225 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.614 -14.274 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.790 -14.500 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.242 -13.520 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.770 -15.870 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.275 -15.153 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.868 -16.102 -6.960 1.00 0.00 H new ATOM 1066 N VAL A 72 3.407 -10.216 -8.284 1.00 0.00 N ATOM 1067 CA VAL A 72 1.985 -10.116 -8.566 1.00 0.00 C ATOM 1068 C VAL A 72 1.499 -11.428 -9.186 1.00 0.00 C ATOM 1069 O VAL A 72 1.798 -11.719 -10.343 1.00 0.00 O ATOM 1070 CB VAL A 72 1.711 -8.898 -9.450 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.836 -8.695 -10.467 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.356 -9.023 -10.150 1.00 0.00 C ATOM 0 H VAL A 72 3.943 -10.740 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 72 1.422 -9.964 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 72 1.677 -8.018 -8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.617 -7.823 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.778 -8.540 -9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.916 -9.577 -11.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.185 -8.144 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.350 -9.916 -10.774 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.434 -9.097 -9.403 1.00 0.00 H new ATOM 1082 N LYS A 73 0.758 -12.184 -8.390 1.00 0.00 N ATOM 1083 CA LYS A 73 0.229 -13.457 -8.846 1.00 0.00 C ATOM 1084 C LYS A 73 -0.542 -13.245 -10.151 1.00 0.00 C ATOM 1085 O LYS A 73 -1.735 -12.946 -10.130 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.599 -14.120 -7.743 1.00 0.00 C ATOM 1087 CG LYS A 73 -0.859 -15.593 -8.063 1.00 0.00 C ATOM 1088 CD LYS A 73 0.438 -16.403 -8.011 1.00 0.00 C ATOM 1089 CE LYS A 73 0.157 -17.899 -8.165 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.901 -18.674 -7.148 1.00 0.00 N ATOM 0 H LYS A 73 0.511 -11.939 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 73 1.041 -14.151 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.075 -14.038 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.548 -13.596 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.576 -16.002 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.307 -15.680 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.110 -16.072 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.947 -16.221 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.912 -18.086 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.445 -18.228 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.699 -19.687 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.921 -18.509 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.607 -18.372 -6.197 1.00 0.00 H new ATOM 1104 N LYS A 74 0.171 -13.409 -11.256 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.432 -13.239 -12.567 1.00 0.00 C ATOM 1106 C LYS A 74 -1.639 -14.171 -12.693 1.00 0.00 C ATOM 1107 O LYS A 74 -1.481 -15.386 -12.800 1.00 0.00 O ATOM 1108 CB LYS A 74 0.614 -13.435 -13.666 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.051 -13.578 -15.037 1.00 0.00 C ATOM 1110 CD LYS A 74 0.456 -12.508 -16.006 1.00 0.00 C ATOM 1111 CE LYS A 74 1.845 -12.865 -16.539 1.00 0.00 C ATOM 1112 NZ LYS A 74 2.516 -11.664 -17.084 1.00 0.00 N ATOM 0 H LYS A 74 1.160 -13.658 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.801 -12.221 -12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.299 -12.587 -13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.209 -14.323 -13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.154 -14.568 -15.443 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.133 -13.495 -14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.241 -12.406 -16.838 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.493 -11.543 -15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.448 -13.294 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.759 -13.625 -17.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.457 -11.924 -17.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.947 -11.271 -17.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.616 -10.951 -16.333 1.00 0.00 H new ATOM 1126 N GLY A 75 -2.817 -13.566 -12.677 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.050 -14.326 -12.789 1.00 0.00 C ATOM 1128 C GLY A 75 -5.026 -13.956 -11.669 1.00 0.00 C ATOM 1129 O GLY A 75 -6.030 -14.636 -11.466 1.00 0.00 O ATOM 0 H GLY A 75 -2.944 -12.558 -12.588 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.513 -14.135 -13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.829 -15.393 -12.746 1.00 0.00 H new ATOM 1133 N SER A 76 -4.695 -12.879 -10.972 1.00 0.00 N ATOM 1134 CA SER A 76 -5.529 -12.411 -9.878 1.00 0.00 C ATOM 1135 C SER A 76 -6.144 -11.055 -10.232 1.00 0.00 C ATOM 1136 O SER A 76 -6.102 -10.633 -11.387 1.00 0.00 O ATOM 1137 CB SER A 76 -4.728 -12.307 -8.579 1.00 0.00 C ATOM 1138 OG SER A 76 -5.237 -13.172 -7.567 1.00 0.00 O ATOM 0 H SER A 76 -3.861 -12.317 -11.143 1.00 0.00 H new ATOM 0 HA SER A 76 -6.328 -13.136 -9.723 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.685 -12.554 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.750 -11.278 -8.221 1.00 0.00 H new ATOM 0 HG SER A 76 -4.698 -13.077 -6.754 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.700 -10.410 -9.217 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.323 -9.111 -9.407 1.00 0.00 C ATOM 1146 C LEU A 77 -6.271 -8.114 -9.898 1.00 0.00 C ATOM 1147 O LEU A 77 -6.329 -7.655 -11.038 1.00 0.00 O ATOM 1148 CB LEU A 77 -8.041 -8.669 -8.130 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.479 -9.163 -7.965 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.893 -9.164 -6.492 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -10.442 -8.347 -8.830 1.00 0.00 C ATOM 0 H LEU A 77 -6.732 -10.763 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.094 -9.166 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.460 -9.010 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.046 -7.579 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.528 -10.194 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.920 -9.519 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.231 -9.822 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.824 -8.152 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.458 -8.719 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.397 -7.299 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.159 -8.441 -9.878 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.334 -7.807 -9.013 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.272 -6.872 -9.341 1.00 0.00 C ATOM 1165 C ALA A 78 -3.311 -7.528 -10.335 1.00 0.00 C ATOM 1166 O ALA A 78 -2.118 -7.650 -10.062 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.568 -6.427 -8.058 1.00 0.00 C ATOM 0 H ALA A 78 -5.288 -8.190 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.680 -5.979 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.771 -5.725 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.287 -5.942 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.143 -7.296 -7.556 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.867 -7.932 -11.468 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.075 -8.572 -12.504 1.00 0.00 C ATOM 1175 C ASP A 79 -3.930 -8.745 -13.760 1.00 0.00 C ATOM 1176 O ASP A 79 -3.532 -8.332 -14.848 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.603 -9.958 -12.059 1.00 0.00 C ATOM 1178 CG ASP A 79 -2.709 -10.226 -10.557 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -3.822 -10.030 -10.023 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -1.676 -10.622 -9.976 1.00 0.00 O ATOM 0 H ASP A 79 -4.857 -7.828 -11.691 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.208 -7.942 -12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.186 -10.711 -12.589 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.564 -10.086 -12.363 1.00 0.00 H new ATOM 1185 N THR A 80 -5.090 -9.357 -13.569 1.00 0.00 N ATOM 1186 CA THR A 80 -6.005 -9.590 -14.673 1.00 0.00 C ATOM 1187 C THR A 80 -6.795 -8.318 -14.988 1.00 0.00 C ATOM 1188 O THR A 80 -7.020 -7.995 -16.153 1.00 0.00 O ATOM 1189 CB THR A 80 -6.892 -10.782 -14.309 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.637 -10.329 -13.183 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.087 -11.967 -13.772 1.00 0.00 C ATOM 0 H THR A 80 -5.417 -9.699 -12.665 1.00 0.00 H new ATOM 0 HA THR A 80 -5.466 -9.836 -15.588 1.00 0.00 H new ATOM 0 HB THR A 80 -7.458 -11.095 -15.186 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.359 -10.826 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.764 -12.786 -13.529 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.376 -12.297 -14.529 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.547 -11.664 -12.875 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.195 -7.631 -13.928 1.00 0.00 N ATOM 1200 CA VAL A 81 -7.956 -6.402 -14.077 1.00 0.00 C ATOM 1201 C VAL A 81 -7.027 -5.204 -13.869 1.00 0.00 C ATOM 1202 O VAL A 81 -7.165 -4.182 -14.539 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.149 -6.406 -13.119 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.224 -7.388 -13.588 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.704 -6.721 -11.690 1.00 0.00 C ATOM 0 H VAL A 81 -7.007 -7.902 -12.963 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.365 -6.326 -15.084 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.584 -5.407 -13.121 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.061 -7.372 -12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.573 -7.099 -14.580 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.805 -8.394 -13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.571 -6.717 -11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.232 -7.703 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.991 -5.967 -11.356 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.100 -5.369 -12.936 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.148 -4.315 -12.632 1.00 0.00 C ATOM 1217 C GLY A 82 -4.045 -4.248 -13.690 1.00 0.00 C ATOM 1218 O GLY A 82 -3.652 -3.163 -14.115 1.00 0.00 O ATOM 0 H GLY A 82 -5.989 -6.217 -12.381 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.665 -3.357 -12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.706 -4.492 -11.652 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.578 -5.423 -14.086 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.528 -5.513 -15.087 1.00 0.00 C ATOM 1224 C HIS A 83 -1.242 -4.890 -14.539 1.00 0.00 C ATOM 1225 O HIS A 83 -0.510 -4.225 -15.269 1.00 0.00 O ATOM 1226 CB HIS A 83 -2.978 -4.879 -16.404 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.143 -5.583 -17.058 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.034 -6.837 -17.633 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.441 -5.197 -17.220 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.219 -7.180 -18.118 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.090 -6.162 -17.861 1.00 0.00 N ATOM 0 H HIS A 83 -3.907 -6.321 -13.732 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.319 -6.560 -15.307 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.251 -3.840 -16.220 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.137 -4.870 -17.097 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.869 -4.264 -16.884 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.454 -8.103 -18.627 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.077 -6.145 -18.119 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.007 -5.129 -13.257 1.00 0.00 N ATOM 1240 CA LEU A 84 0.178 -4.600 -12.602 1.00 0.00 C ATOM 1241 C LEU A 84 1.353 -5.550 -12.840 1.00 0.00 C ATOM 1242 O LEU A 84 1.203 -6.576 -13.502 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.104 -4.328 -11.123 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.268 -3.381 -10.825 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.083 -3.874 -9.628 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.771 -1.947 -10.628 1.00 0.00 C ATOM 0 H LEU A 84 -1.617 -5.682 -12.654 1.00 0.00 H new ATOM 0 HA LEU A 84 0.454 -3.637 -13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.301 -5.280 -10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.798 -3.916 -10.671 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.934 -3.376 -11.688 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.904 -3.183 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.485 -4.864 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.442 -3.927 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.618 -1.294 -10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.072 -1.916 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.268 -1.608 -11.534 1.00 0.00 H new ATOM 1258 N ARG A 85 2.497 -5.174 -12.287 1.00 0.00 N ATOM 1259 CA ARG A 85 3.698 -5.980 -12.431 1.00 0.00 C ATOM 1260 C ARG A 85 4.703 -5.636 -11.330 1.00 0.00 C ATOM 1261 O ARG A 85 4.653 -4.549 -10.756 1.00 0.00 O ATOM 1262 CB ARG A 85 4.351 -5.757 -13.796 1.00 0.00 C ATOM 1263 CG ARG A 85 3.803 -6.740 -14.833 1.00 0.00 C ATOM 1264 CD ARG A 85 3.229 -5.998 -16.042 1.00 0.00 C ATOM 1265 NE ARG A 85 4.057 -6.264 -17.239 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.917 -5.623 -18.407 1.00 0.00 C ATOM 1267 NH1 ARG A 85 2.981 -4.674 -18.543 1.00 0.00 N ATOM 1268 NH2 ARG A 85 4.714 -5.930 -19.440 1.00 0.00 N ATOM 0 H ARG A 85 2.618 -4.322 -11.739 1.00 0.00 H new ATOM 0 HA ARG A 85 3.406 -7.027 -12.348 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.169 -4.735 -14.127 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.431 -5.877 -13.711 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.597 -7.412 -15.158 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.028 -7.358 -14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.202 -6.318 -16.221 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.199 -4.927 -15.841 1.00 0.00 H new ATOM 0 HE ARG A 85 4.780 -6.980 -17.171 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.375 -4.439 -17.757 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.875 -4.186 -19.432 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.427 -6.652 -19.337 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.607 -5.442 -20.329 1.00 0.00 H new ATOM 1282 N PRO A 86 5.617 -6.607 -11.061 1.00 0.00 N ATOM 1283 CA PRO A 86 6.632 -6.417 -10.040 1.00 0.00 C ATOM 1284 C PRO A 86 7.731 -5.470 -10.528 1.00 0.00 C ATOM 1285 O PRO A 86 8.754 -5.915 -11.045 1.00 0.00 O ATOM 1286 CB PRO A 86 7.146 -7.814 -9.731 1.00 0.00 C ATOM 1287 CG PRO A 86 6.736 -8.679 -10.912 1.00 0.00 C ATOM 1288 CD PRO A 86 5.707 -7.906 -11.721 1.00 0.00 C ATOM 0 HA PRO A 86 6.239 -5.943 -9.140 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.229 -7.813 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.717 -8.192 -8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.603 -8.920 -11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.318 -9.624 -10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.018 -7.801 -12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.743 -8.415 -11.726 1.00 0.00 H new ATOM 1296 N GLY A 87 7.481 -4.182 -10.346 1.00 0.00 N ATOM 1297 CA GLY A 87 8.436 -3.168 -10.761 1.00 0.00 C ATOM 1298 C GLY A 87 7.832 -1.767 -10.649 1.00 0.00 C ATOM 1299 O GLY A 87 8.535 -0.807 -10.336 1.00 0.00 O ATOM 0 H GLY A 87 6.631 -3.817 -9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.332 -3.232 -10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.745 -3.354 -11.790 1.00 0.00 H new ATOM 1303 N ASP A 88 6.535 -1.693 -10.912 1.00 0.00 N ATOM 1304 CA ASP A 88 5.829 -0.426 -10.845 1.00 0.00 C ATOM 1305 C ASP A 88 6.057 0.208 -9.471 1.00 0.00 C ATOM 1306 O ASP A 88 6.765 -0.351 -8.636 1.00 0.00 O ATOM 1307 CB ASP A 88 4.323 -0.623 -11.031 1.00 0.00 C ATOM 1308 CG ASP A 88 3.733 0.039 -12.277 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.484 0.798 -12.926 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.543 -0.227 -12.551 1.00 0.00 O ATOM 0 H ASP A 88 5.955 -2.491 -11.172 1.00 0.00 H new ATOM 0 HA ASP A 88 6.209 0.214 -11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.114 -1.692 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.810 -0.232 -10.153 1.00 0.00 H new ATOM 1315 N GLU A 89 5.442 1.366 -9.280 1.00 0.00 N ATOM 1316 CA GLU A 89 5.569 2.082 -8.022 1.00 0.00 C ATOM 1317 C GLU A 89 4.210 2.632 -7.585 1.00 0.00 C ATOM 1318 O GLU A 89 3.758 3.656 -8.095 1.00 0.00 O ATOM 1319 CB GLU A 89 6.605 3.202 -8.130 1.00 0.00 C ATOM 1320 CG GLU A 89 6.708 3.983 -6.818 1.00 0.00 C ATOM 1321 CD GLU A 89 7.581 5.228 -6.988 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.364 5.940 -7.992 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.445 5.440 -6.110 1.00 0.00 O ATOM 0 H GLU A 89 4.854 1.826 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 89 5.917 1.383 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.577 2.779 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.331 3.879 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.712 4.276 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.128 3.343 -6.042 1.00 0.00 H new ATOM 1330 N VAL A 90 3.597 1.928 -6.644 1.00 0.00 N ATOM 1331 CA VAL A 90 2.299 2.333 -6.133 1.00 0.00 C ATOM 1332 C VAL A 90 2.466 3.579 -5.260 1.00 0.00 C ATOM 1333 O VAL A 90 3.108 3.525 -4.212 1.00 0.00 O ATOM 1334 CB VAL A 90 1.641 1.167 -5.391 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.597 0.564 -4.360 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.331 1.605 -4.734 1.00 0.00 C ATOM 0 H VAL A 90 3.976 1.080 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 90 1.631 2.597 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 90 1.407 0.394 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.105 -0.262 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.491 0.197 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.877 1.327 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.116 0.758 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.531 2.405 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.357 1.965 -5.499 1.00 0.00 H new ATOM 1346 N LEU A 91 1.876 4.671 -5.724 1.00 0.00 N ATOM 1347 CA LEU A 91 1.951 5.927 -4.999 1.00 0.00 C ATOM 1348 C LEU A 91 0.907 5.929 -3.880 1.00 0.00 C ATOM 1349 O LEU A 91 1.247 6.096 -2.710 1.00 0.00 O ATOM 1350 CB LEU A 91 1.823 7.110 -5.961 1.00 0.00 C ATOM 1351 CG LEU A 91 2.823 7.144 -7.119 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.677 8.432 -7.931 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.253 6.944 -6.614 1.00 0.00 C ATOM 0 H LEU A 91 1.344 4.711 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 91 2.927 6.035 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.816 7.107 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.929 8.031 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 91 2.599 6.314 -7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.399 8.431 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.668 8.493 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.860 9.291 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.944 6.972 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.505 7.738 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.331 5.979 -6.114 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.342 5.741 -4.280 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.437 5.718 -3.325 1.00 0.00 C ATOM 1367 C GLU A 92 -2.084 4.332 -3.293 1.00 0.00 C ATOM 1368 O GLU A 92 -1.893 3.532 -4.207 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.471 6.798 -3.652 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.829 8.187 -3.659 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.448 9.071 -4.744 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.667 9.325 -4.642 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -1.687 9.472 -5.651 1.00 0.00 O ATOM 0 H GLU A 92 -0.620 5.603 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.035 5.933 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.919 6.595 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.277 6.769 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.959 8.657 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.756 8.095 -3.828 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.837 4.090 -2.229 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.513 2.815 -2.065 1.00 0.00 C ATOM 1382 C TRP A 93 -4.890 3.085 -1.456 1.00 0.00 C ATOM 1383 O TRP A 93 -5.023 3.197 -0.238 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.669 1.850 -1.230 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.389 0.552 -0.861 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.340 0.371 0.066 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.178 -0.747 -1.452 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.755 -0.944 0.115 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -4.026 -1.646 -0.837 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.299 -1.150 -2.473 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -4.078 -3.004 -1.174 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.364 -2.510 -2.798 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -3.211 -3.428 -2.188 1.00 0.00 C ATOM 0 H TRP A 93 -2.993 4.756 -1.472 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.649 2.324 -3.029 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.762 1.606 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.359 2.354 -0.315 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.732 1.156 0.696 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.466 -1.330 0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.627 -0.464 -2.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.751 -3.688 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.710 -2.872 -3.578 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.200 -4.463 -2.495 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.881 3.181 -2.331 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.243 3.435 -1.894 1.00 0.00 C ATOM 1406 C ASN A 94 -7.366 4.893 -1.444 1.00 0.00 C ATOM 1407 O ASN A 94 -8.320 5.256 -0.758 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.618 2.542 -0.710 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.846 1.689 -1.033 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.630 1.994 -1.917 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.969 0.606 -0.271 1.00 0.00 N ATOM 0 H ASN A 94 -5.767 3.087 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.910 3.224 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.778 1.895 -0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.820 3.159 0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.756 -0.028 -0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.277 0.410 0.452 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.387 5.688 -1.850 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.373 7.098 -1.497 1.00 0.00 C ATOM 1420 C GLY A 95 -5.258 7.401 -0.494 1.00 0.00 C ATOM 1421 O GLY A 95 -4.928 8.563 -0.261 1.00 0.00 O ATOM 0 H GLY A 95 -5.598 5.383 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.233 7.700 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.336 7.380 -1.072 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.709 6.337 0.072 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.638 6.475 1.044 1.00 0.00 C ATOM 1427 C ARG A 96 -2.288 6.595 0.333 1.00 0.00 C ATOM 1428 O ARG A 96 -1.839 5.652 -0.316 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.601 5.278 1.996 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.577 5.472 3.159 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.860 6.030 4.389 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.822 6.201 5.501 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.637 7.257 5.634 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.611 8.241 4.726 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -6.477 7.327 6.675 1.00 0.00 N ATOM 0 H ARG A 96 -4.986 5.375 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.829 7.379 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.854 4.368 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.590 5.147 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.375 6.152 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.046 4.520 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.059 5.355 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.397 6.987 4.147 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.868 5.470 6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.971 8.187 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.231 9.045 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.496 6.577 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.097 8.130 6.777 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.680 7.763 0.480 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.391 8.018 -0.140 1.00 0.00 C ATOM 1451 C LEU A 97 0.677 7.163 0.545 1.00 0.00 C ATOM 1452 O LEU A 97 0.746 7.115 1.772 1.00 0.00 O ATOM 1453 CB LEU A 97 -0.079 9.516 -0.130 1.00 0.00 C ATOM 1454 CG LEU A 97 1.259 9.926 -0.747 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.047 10.756 -2.016 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.134 10.656 0.274 1.00 0.00 C ATOM 0 H LEU A 97 -2.056 8.543 1.019 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.409 7.726 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.876 10.037 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.103 9.865 0.902 1.00 0.00 H new ATOM 0 HG LEU A 97 1.791 9.021 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.014 11.034 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.491 10.168 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.485 11.657 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.079 10.936 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.619 11.553 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.328 10.000 1.123 1.00 0.00 H new ATOM 1468 N LEU A 98 1.484 6.510 -0.278 1.00 0.00 N ATOM 1469 CA LEU A 98 2.546 5.659 0.232 1.00 0.00 C ATOM 1470 C LEU A 98 3.862 6.439 0.234 1.00 0.00 C ATOM 1471 O LEU A 98 4.781 6.112 0.983 1.00 0.00 O ATOM 1472 CB LEU A 98 2.608 4.349 -0.555 1.00 0.00 C ATOM 1473 CG LEU A 98 1.278 3.619 -0.748 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.489 2.266 -1.431 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.531 3.479 0.580 1.00 0.00 C ATOM 0 H LEU A 98 1.424 6.553 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 98 2.343 5.374 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.031 4.558 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.299 3.676 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 98 0.652 4.220 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.528 1.768 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.948 2.419 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.142 1.646 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.411 2.956 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.142 2.912 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.330 4.469 0.990 1.00 0.00 H new ATOM 1487 N GLN A 99 3.911 7.456 -0.614 1.00 0.00 N ATOM 1488 CA GLN A 99 5.100 8.285 -0.721 1.00 0.00 C ATOM 1489 C GLN A 99 5.496 8.824 0.655 1.00 0.00 C ATOM 1490 O GLN A 99 4.747 9.583 1.268 1.00 0.00 O ATOM 1491 CB GLN A 99 4.885 9.427 -1.716 1.00 0.00 C ATOM 1492 CG GLN A 99 5.410 9.052 -3.103 1.00 0.00 C ATOM 1493 CD GLN A 99 5.661 10.301 -3.950 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.800 11.405 -3.449 1.00 0.00 O ATOM 1495 NE2 GLN A 99 5.710 10.067 -5.258 1.00 0.00 N ATOM 0 H GLN A 99 3.147 7.725 -1.233 1.00 0.00 H new ATOM 0 HA GLN A 99 5.916 7.669 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.823 9.665 -1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.393 10.324 -1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.335 8.483 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.690 8.406 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.586 9.118 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.872 10.836 -5.908 1.00 0.00 H new ATOM 1504 N GLY A 100 6.673 8.410 1.101 1.00 0.00 N ATOM 1505 CA GLY A 100 7.178 8.842 2.394 1.00 0.00 C ATOM 1506 C GLY A 100 6.840 7.821 3.483 1.00 0.00 C ATOM 1507 O GLY A 100 7.607 7.640 4.428 1.00 0.00 O ATOM 0 H GLY A 100 7.292 7.780 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.258 8.977 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.748 9.810 2.652 1.00 0.00 H new ATOM 1511 N ALA A 101 5.692 7.181 3.314 1.00 0.00 N ATOM 1512 CA ALA A 101 5.244 6.184 4.271 1.00 0.00 C ATOM 1513 C ALA A 101 6.344 5.137 4.463 1.00 0.00 C ATOM 1514 O ALA A 101 7.034 4.775 3.511 1.00 0.00 O ATOM 1515 CB ALA A 101 3.930 5.567 3.788 1.00 0.00 C ATOM 0 H ALA A 101 5.059 7.334 2.529 1.00 0.00 H new ATOM 0 HA ALA A 101 5.052 6.642 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.594 4.819 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.174 6.347 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.085 5.095 2.818 1.00 0.00 H new ATOM 1521 N THR A 102 6.473 4.681 5.700 1.00 0.00 N ATOM 1522 CA THR A 102 7.476 3.683 6.029 1.00 0.00 C ATOM 1523 C THR A 102 6.978 2.284 5.661 1.00 0.00 C ATOM 1524 O THR A 102 5.819 2.112 5.289 1.00 0.00 O ATOM 1525 CB THR A 102 7.825 3.834 7.511 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.765 3.163 8.187 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.717 5.282 7.994 1.00 0.00 C ATOM 0 H THR A 102 5.899 4.984 6.487 1.00 0.00 H new ATOM 0 HA THR A 102 8.387 3.832 5.449 1.00 0.00 H new ATOM 0 HB THR A 102 8.837 3.468 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.912 3.211 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.975 5.333 9.052 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.402 5.908 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.697 5.638 7.852 1.00 0.00 H new ATOM 1535 N PHE A 103 7.880 1.320 5.778 1.00 0.00 N ATOM 1536 CA PHE A 103 7.547 -0.059 5.462 1.00 0.00 C ATOM 1537 C PHE A 103 6.291 -0.505 6.214 1.00 0.00 C ATOM 1538 O PHE A 103 5.428 -1.172 5.646 1.00 0.00 O ATOM 1539 CB PHE A 103 8.729 -0.919 5.912 1.00 0.00 C ATOM 1540 CG PHE A 103 8.446 -2.422 5.897 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.490 -3.111 4.725 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.150 -3.070 7.056 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.228 -4.506 4.711 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.888 -4.466 7.041 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.932 -5.154 5.869 1.00 0.00 C ATOM 0 H PHE A 103 8.841 1.467 6.087 1.00 0.00 H new ATOM 0 HA PHE A 103 7.354 -0.160 4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.582 -0.714 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.017 -0.624 6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.724 -2.596 3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 103 8.114 -2.523 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.264 -5.053 3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.654 -4.981 7.961 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.732 -6.215 5.858 1.00 0.00 H new ATOM 1555 N GLU A 104 6.229 -0.118 7.480 1.00 0.00 N ATOM 1556 CA GLU A 104 5.093 -0.470 8.315 1.00 0.00 C ATOM 1557 C GLU A 104 3.838 0.266 7.842 1.00 0.00 C ATOM 1558 O GLU A 104 2.793 -0.349 7.637 1.00 0.00 O ATOM 1559 CB GLU A 104 5.382 -0.172 9.787 1.00 0.00 C ATOM 1560 CG GLU A 104 6.492 -1.078 10.323 1.00 0.00 C ATOM 1561 CD GLU A 104 6.911 -0.658 11.733 1.00 0.00 C ATOM 1562 OE1 GLU A 104 6.062 -0.790 12.640 1.00 0.00 O ATOM 1563 OE2 GLU A 104 8.072 -0.214 11.872 1.00 0.00 O ATOM 0 H GLU A 104 6.947 0.436 7.947 1.00 0.00 H new ATOM 0 HA GLU A 104 4.917 -1.542 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.674 0.872 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.476 -0.315 10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.148 -2.112 10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.353 -1.037 9.656 1.00 0.00 H new ATOM 1570 N GLU A 105 3.983 1.574 7.683 1.00 0.00 N ATOM 1571 CA GLU A 105 2.874 2.401 7.239 1.00 0.00 C ATOM 1572 C GLU A 105 2.219 1.788 5.999 1.00 0.00 C ATOM 1573 O GLU A 105 1.038 1.444 6.022 1.00 0.00 O ATOM 1574 CB GLU A 105 3.334 3.834 6.964 1.00 0.00 C ATOM 1575 CG GLU A 105 3.297 4.675 8.242 1.00 0.00 C ATOM 1576 CD GLU A 105 3.644 6.136 7.946 1.00 0.00 C ATOM 1577 OE1 GLU A 105 3.137 6.643 6.922 1.00 0.00 O ATOM 1578 OE2 GLU A 105 4.407 6.712 8.750 1.00 0.00 O ATOM 0 H GLU A 105 4.852 2.081 7.854 1.00 0.00 H new ATOM 0 HA GLU A 105 2.132 2.440 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.346 3.824 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.693 4.287 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.306 4.617 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.001 4.270 8.969 1.00 0.00 H new ATOM 1585 N VAL A 106 3.014 1.672 4.945 1.00 0.00 N ATOM 1586 CA VAL A 106 2.526 1.107 3.698 1.00 0.00 C ATOM 1587 C VAL A 106 1.727 -0.163 3.997 1.00 0.00 C ATOM 1588 O VAL A 106 0.607 -0.324 3.514 1.00 0.00 O ATOM 1589 CB VAL A 106 3.695 0.867 2.740 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.232 0.118 1.489 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.380 2.184 2.370 1.00 0.00 C ATOM 0 H VAL A 106 3.992 1.960 4.929 1.00 0.00 H new ATOM 0 HA VAL A 106 1.853 1.804 3.200 1.00 0.00 H new ATOM 0 HB VAL A 106 4.427 0.243 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.081 -0.040 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.812 -0.846 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.472 0.706 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.207 1.985 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.661 2.844 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.761 2.662 3.272 1.00 0.00 H new ATOM 1601 N TYR A 107 2.333 -1.032 4.792 1.00 0.00 N ATOM 1602 CA TYR A 107 1.692 -2.283 5.160 1.00 0.00 C ATOM 1603 C TYR A 107 0.395 -2.028 5.930 1.00 0.00 C ATOM 1604 O TYR A 107 -0.673 -2.484 5.522 1.00 0.00 O ATOM 1605 CB TYR A 107 2.680 -3.009 6.076 1.00 0.00 C ATOM 1606 CG TYR A 107 2.369 -4.495 6.272 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.155 -4.882 6.801 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.304 -5.447 5.920 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.863 -6.280 6.986 1.00 0.00 C ATOM 1610 CE2 TYR A 107 3.012 -6.845 6.104 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.806 -7.192 6.628 1.00 0.00 C ATOM 1612 OH TYR A 107 1.530 -8.513 6.803 1.00 0.00 O ATOM 0 H TYR A 107 3.261 -0.895 5.192 1.00 0.00 H new ATOM 0 HA TYR A 107 1.442 -2.862 4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.684 -2.910 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.686 -2.518 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.424 -4.137 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.255 -5.144 5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.083 -6.597 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.734 -7.601 5.832 1.00 0.00 H new ATOM 0 HH TYR A 107 2.293 -9.049 6.503 1.00 0.00 H new ATOM 1622 N ASN A 108 0.529 -1.300 7.028 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.619 -0.979 7.859 1.00 0.00 C ATOM 1624 C ASN A 108 -1.793 -0.575 6.964 1.00 0.00 C ATOM 1625 O ASN A 108 -2.919 -1.024 7.171 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.313 0.193 8.794 1.00 0.00 C ATOM 1627 CG ASN A 108 0.357 -0.294 10.080 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.029 -1.286 10.675 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.380 0.459 10.476 1.00 0.00 N ATOM 0 H ASN A 108 1.416 -0.923 7.362 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.862 -1.860 8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.338 0.906 8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.236 0.720 9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.892 0.218 11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.652 1.277 9.931 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.489 0.269 5.988 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.504 0.738 5.061 1.00 0.00 C ATOM 1638 C ILE A 109 -3.250 -0.463 4.477 1.00 0.00 C ATOM 1639 O ILE A 109 -4.387 -0.737 4.856 1.00 0.00 O ATOM 1640 CB ILE A 109 -1.882 1.651 4.002 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.323 2.925 4.637 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.883 1.957 2.887 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.344 3.624 3.692 1.00 0.00 C ATOM 0 H ILE A 109 -0.554 0.640 5.820 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.242 1.349 5.581 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.043 1.125 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.141 3.601 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.819 2.679 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.416 2.608 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.191 1.027 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.756 2.455 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.039 4.527 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.485 2.953 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.857 3.890 2.768 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.579 -1.148 3.562 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.163 -2.314 2.922 1.00 0.00 C ATOM 1657 C ILE A 110 -3.901 -3.150 3.970 1.00 0.00 C ATOM 1658 O ILE A 110 -4.868 -3.839 3.650 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.096 -3.094 2.153 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.508 -2.249 1.020 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.650 -4.427 1.645 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.011 -2.417 0.942 1.00 0.00 C ATOM 0 H ILE A 110 -1.636 -0.917 3.249 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.900 -2.011 2.179 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.281 -3.324 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.959 -2.541 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.754 -1.199 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.871 -4.962 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.981 -5.029 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.493 -4.241 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.403 -1.806 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.461 -2.101 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.252 -3.464 0.758 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.416 -3.061 5.199 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.017 -3.801 6.296 1.00 0.00 C ATOM 1676 C LEU A 111 -5.393 -3.211 6.610 1.00 0.00 C ATOM 1677 O LEU A 111 -6.408 -3.894 6.487 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.074 -3.835 7.500 1.00 0.00 C ATOM 1679 CG LEU A 111 -2.749 -5.222 8.059 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -1.882 -5.118 9.315 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.027 -6.026 8.309 1.00 0.00 C ATOM 0 H LEU A 111 -2.614 -2.488 5.460 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.173 -4.842 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.139 -3.351 7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.514 -3.237 8.298 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.169 -5.764 7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.666 -6.118 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.948 -4.612 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.414 -4.550 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.768 -7.007 8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.654 -5.498 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.571 -6.146 7.372 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.383 -1.947 7.009 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.618 -1.258 7.341 1.00 0.00 C ATOM 1695 C GLU A 112 -7.624 -1.388 6.196 1.00 0.00 C ATOM 1696 O GLU A 112 -8.824 -1.211 6.396 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.352 0.212 7.673 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.395 0.342 8.859 1.00 0.00 C ATOM 1699 CD GLU A 112 -5.886 1.404 9.846 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -6.081 2.552 9.394 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -6.056 1.042 11.031 1.00 0.00 O ATOM 0 H GLU A 112 -4.539 -1.383 7.110 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.045 -1.726 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.929 0.714 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.293 0.712 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.307 -0.618 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.400 0.606 8.501 1.00 0.00 H new ATOM 1708 N SER A 113 -7.096 -1.697 5.020 1.00 0.00 N ATOM 1709 CA SER A 113 -7.933 -1.853 3.842 1.00 0.00 C ATOM 1710 C SER A 113 -8.088 -3.337 3.504 1.00 0.00 C ATOM 1711 O SER A 113 -8.319 -3.693 2.349 1.00 0.00 O ATOM 1712 CB SER A 113 -7.351 -1.094 2.648 1.00 0.00 C ATOM 1713 OG SER A 113 -6.167 -1.711 2.149 1.00 0.00 O ATOM 0 H SER A 113 -6.100 -1.843 4.858 1.00 0.00 H new ATOM 0 HA SER A 113 -8.914 -1.432 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.095 -1.042 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.129 -0.069 2.944 1.00 0.00 H new ATOM 0 HG SER A 113 -5.957 -2.501 2.690 1.00 0.00 H new ATOM 1719 N LYS A 114 -7.954 -4.163 4.531 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.076 -5.600 4.357 1.00 0.00 C ATOM 1721 C LYS A 114 -9.537 -5.952 4.067 1.00 0.00 C ATOM 1722 O LYS A 114 -9.828 -6.676 3.116 1.00 0.00 O ATOM 1723 CB LYS A 114 -7.494 -6.338 5.564 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.021 -6.683 5.339 1.00 0.00 C ATOM 1725 CD LYS A 114 -5.833 -8.189 5.148 1.00 0.00 C ATOM 1726 CE LYS A 114 -4.786 -8.738 6.118 1.00 0.00 C ATOM 1727 NZ LYS A 114 -4.448 -10.139 5.779 1.00 0.00 N ATOM 0 H LYS A 114 -7.762 -3.864 5.487 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.491 -5.930 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.594 -5.719 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.061 -7.251 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.650 -6.153 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.430 -6.344 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.783 -8.700 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.526 -8.394 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.888 -8.122 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.165 -8.686 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.736 -10.496 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.304 -10.727 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.066 -10.180 4.812 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.441 -5.409 4.926 1.00 0.00 N ATOM 1742 CA PRO A 115 -11.864 -5.658 4.771 1.00 0.00 C ATOM 1743 C PRO A 115 -12.437 -4.853 3.604 1.00 0.00 C ATOM 1744 O PRO A 115 -13.463 -5.223 3.034 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.477 -5.282 6.110 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.451 -4.403 6.806 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.133 -4.547 6.063 1.00 0.00 C ATOM 0 HA PRO A 115 -12.085 -6.696 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.418 -4.750 5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.696 -6.170 6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.777 -3.363 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.336 -4.702 7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.756 -3.579 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.366 -4.989 6.699 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.752 -3.766 3.283 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.180 -2.905 2.194 1.00 0.00 C ATOM 1757 C GLU A 116 -12.751 -3.743 1.048 1.00 0.00 C ATOM 1758 O GLU A 116 -12.210 -4.796 0.715 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.029 -2.022 1.707 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.179 -0.590 2.225 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.518 0.373 1.085 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.957 -0.131 0.029 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -11.331 1.590 1.296 1.00 0.00 O ATOM 0 H GLU A 116 -10.903 -3.461 3.758 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.966 -2.247 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.079 -2.437 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.005 -2.018 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.963 -0.553 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.254 -0.276 2.708 1.00 0.00 H new ATOM 1770 N PRO A 117 -13.866 -3.230 0.461 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.516 -3.920 -0.640 1.00 0.00 C ATOM 1772 C PRO A 117 -13.718 -3.758 -1.936 1.00 0.00 C ATOM 1773 O PRO A 117 -13.752 -4.630 -2.803 1.00 0.00 O ATOM 1774 CB PRO A 117 -15.907 -3.311 -0.720 1.00 0.00 C ATOM 1775 CG PRO A 117 -15.827 -1.991 0.029 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.535 -1.986 0.829 1.00 0.00 C ATOM 0 HA PRO A 117 -14.575 -4.997 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.206 -3.155 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.649 -3.971 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.847 -1.154 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.686 -1.875 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.921 -1.119 0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.733 -1.945 1.900 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.019 -2.636 -2.026 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.214 -2.349 -3.201 1.00 0.00 C ATOM 1786 C GLN A 118 -10.870 -1.744 -2.789 1.00 0.00 C ATOM 1787 O GLN A 118 -10.635 -1.491 -1.609 1.00 0.00 O ATOM 1788 CB GLN A 118 -12.959 -1.424 -4.164 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.109 -0.021 -3.572 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.474 0.577 -3.916 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.560 1.052 -5.155 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.389 0.606 -3.109 1.00 0.00 N flip ATOM 0 H GLN A 118 -12.993 -1.915 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.024 -3.286 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.420 -1.368 -5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -13.944 -1.838 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.990 -0.065 -2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.318 0.625 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.256 0.223 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.287 1.013 -3.371 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.023 -1.530 -3.785 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.709 -0.960 -3.541 1.00 0.00 C ATOM 1803 C VAL A 119 -8.239 -0.218 -4.794 1.00 0.00 C ATOM 1804 O VAL A 119 -8.004 -0.834 -5.833 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.738 -2.055 -3.095 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.376 -1.463 -2.728 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.318 -2.860 -1.931 1.00 0.00 C ATOM 0 H VAL A 119 -10.221 -1.741 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.753 -0.233 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.592 -2.736 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.704 -2.262 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.955 -0.954 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.497 -0.750 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.608 -3.632 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.507 -2.196 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.253 -3.327 -2.242 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.116 1.094 -4.655 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.678 1.926 -5.763 1.00 0.00 C ATOM 1819 C GLU A 120 -6.173 2.181 -5.672 1.00 0.00 C ATOM 1820 O GLU A 120 -5.711 2.884 -4.775 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.457 3.243 -5.801 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.067 4.075 -7.024 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.238 5.570 -6.747 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -9.327 5.934 -6.253 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -7.276 6.314 -7.036 1.00 0.00 O ATOM 0 H GLU A 120 -8.312 1.601 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.881 1.395 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.527 3.036 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.261 3.812 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.032 3.868 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.683 3.787 -7.876 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.448 1.596 -6.615 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.003 1.751 -6.652 1.00 0.00 C ATOM 1834 C LEU A 121 -3.642 2.890 -7.609 1.00 0.00 C ATOM 1835 O LEU A 121 -4.465 3.306 -8.423 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.330 0.421 -6.997 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.647 -0.752 -6.067 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.526 -1.792 -6.096 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -3.939 -0.262 -4.647 1.00 0.00 C ATOM 0 H LEU A 121 -5.834 1.014 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.624 2.027 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.618 0.143 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.251 0.573 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.550 -1.242 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.776 -2.615 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.409 -2.172 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.593 -1.331 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.161 -1.115 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.069 0.267 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.795 0.412 -4.664 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.411 3.361 -7.478 1.00 0.00 N ATOM 1852 CA VAL A 122 -1.930 4.443 -8.321 1.00 0.00 C ATOM 1853 C VAL A 122 -0.429 4.271 -8.558 1.00 0.00 C ATOM 1854 O VAL A 122 0.378 4.541 -7.670 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.286 5.792 -7.693 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.146 6.925 -8.712 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -3.693 5.764 -7.094 1.00 0.00 C ATOM 0 H VAL A 122 -1.732 3.014 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.417 4.414 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.581 5.981 -6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.405 7.873 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.117 6.967 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.816 6.743 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.921 6.735 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.418 5.542 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.745 4.995 -6.323 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.099 3.822 -9.760 1.00 0.00 N ATOM 1868 CA VAL A 123 1.291 3.611 -10.125 1.00 0.00 C ATOM 1869 C VAL A 123 1.737 4.719 -11.080 1.00 0.00 C ATOM 1870 O VAL A 123 0.957 5.176 -11.914 1.00 0.00 O ATOM 1871 CB VAL A 123 1.471 2.209 -10.710 1.00 0.00 C ATOM 1872 CG1 VAL A 123 1.773 1.190 -9.609 1.00 0.00 C ATOM 1873 CG2 VAL A 123 0.244 1.792 -11.522 1.00 0.00 C ATOM 0 H VAL A 123 -0.771 3.598 -10.494 1.00 0.00 H new ATOM 0 HA VAL A 123 1.930 3.665 -9.244 1.00 0.00 H new ATOM 0 HB VAL A 123 2.326 2.235 -11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.896 0.202 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.690 1.473 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.948 1.168 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.398 0.792 -11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.635 1.791 -10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.093 2.495 -12.341 1.00 0.00 H new ATOM 1883 N SER A 124 2.991 5.119 -10.927 1.00 0.00 N ATOM 1884 CA SER A 124 3.550 6.166 -11.766 1.00 0.00 C ATOM 1885 C SER A 124 4.826 5.665 -12.447 1.00 0.00 C ATOM 1886 O SER A 124 5.841 5.448 -11.787 1.00 0.00 O ATOM 1887 CB SER A 124 3.843 7.427 -10.952 1.00 0.00 C ATOM 1888 OG SER A 124 4.281 8.504 -11.775 1.00 0.00 O ATOM 0 H SER A 124 3.636 4.737 -10.235 1.00 0.00 H new ATOM 0 HA SER A 124 2.815 6.422 -12.529 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.945 7.726 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.606 7.207 -10.206 1.00 0.00 H new ATOM 0 HG SER A 124 4.456 9.291 -11.218 1.00 0.00 H new ATOM 1894 N ARG A 125 4.732 5.496 -13.758 1.00 0.00 N ATOM 1895 CA ARG A 125 5.866 5.025 -14.535 1.00 0.00 C ATOM 1896 C ARG A 125 6.287 6.084 -15.555 1.00 0.00 C ATOM 1897 O ARG A 125 5.497 6.957 -15.911 1.00 0.00 O ATOM 1898 CB ARG A 125 5.529 3.726 -15.269 1.00 0.00 C ATOM 1899 CG ARG A 125 4.222 3.862 -16.053 1.00 0.00 C ATOM 1900 CD ARG A 125 3.974 2.629 -16.924 1.00 0.00 C ATOM 1901 NE ARG A 125 3.953 1.411 -16.082 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.553 0.207 -16.513 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.137 0.052 -17.777 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.568 -0.842 -15.679 1.00 0.00 N ATOM 0 H ARG A 125 3.888 5.677 -14.302 1.00 0.00 H new ATOM 0 HA ARG A 125 6.686 4.836 -13.843 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.340 3.468 -15.950 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.443 2.910 -14.551 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.391 3.996 -15.361 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.261 4.753 -16.680 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.027 2.732 -17.453 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.754 2.545 -17.681 1.00 0.00 H new ATOM 0 HE ARG A 125 4.262 1.494 -15.114 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.125 0.851 -18.411 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.833 -0.865 -18.105 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.884 -0.724 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.264 -1.759 -16.007 1.00 0.00 H new ATOM 1918 N SER A 126 7.532 5.974 -15.995 1.00 0.00 N ATOM 1919 CA SER A 126 8.068 6.911 -16.967 1.00 0.00 C ATOM 1920 C SER A 126 7.597 6.534 -18.373 1.00 0.00 C ATOM 1921 O SER A 126 7.751 5.390 -18.798 1.00 0.00 O ATOM 1922 CB SER A 126 9.596 6.948 -16.912 1.00 0.00 C ATOM 1923 OG SER A 126 10.185 5.940 -17.729 1.00 0.00 O ATOM 0 H SER A 126 8.185 5.250 -15.696 1.00 0.00 H new ATOM 0 HA SER A 126 7.698 7.907 -16.722 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.947 7.928 -17.236 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.925 6.817 -15.881 1.00 0.00 H new ATOM 0 HG SER A 126 11.161 5.998 -17.668 1.00 0.00 H new