USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= -2.58! C(o=-1.9!,f=-4!) USER MOD Set 1.2: A 59 TYR OH : rot -86:sc= 0.664 USER MOD Single : A 14 SER OG : rot 180:sc= -1.25 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00431 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.963! USER MOD Single : A 35 ASN : amide:sc=-0.00806 X(o=-0.0081,f=0) USER MOD Single : A 36 THR OG1 : rot 128:sc= -0.639 USER MOD Single : A 41 HIS : no HD1:sc=-0.00327 X(o=-0.0033,f=-0.1) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.848 F(o=-2.1!,f=-0.85) USER MOD Single : A 47 CYS SG : rot -95:sc= -0.875 USER MOD Single : A 48 SER OG : rot 46:sc= 1.1 USER MOD Single : A 50 SER OG : rot 51:sc= 0.896 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -86:sc= 0.732 USER MOD Single : A 64 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.5!) USER MOD Single : A 68 CYS SG : rot 180:sc= -3.2! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -111:sc= 1.05 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 151:sc= -0.293 (180deg=-1.06) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -148:sc= -0.422 (180deg=-3.38!) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= -0.3 (180deg=-1.81!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -0.295 15.116 -12.314 1.00 0.00 N ATOM 121 CA ARG A 12 -0.885 14.277 -13.344 1.00 0.00 C ATOM 122 C ARG A 12 -0.836 12.807 -12.923 1.00 0.00 C ATOM 123 O ARG A 12 0.199 12.322 -12.468 1.00 0.00 O ATOM 124 CB ARG A 12 -0.152 14.444 -14.676 1.00 0.00 C ATOM 125 CG ARG A 12 -1.137 14.454 -15.847 1.00 0.00 C ATOM 126 CD ARG A 12 -1.144 13.105 -16.569 1.00 0.00 C ATOM 127 NE ARG A 12 -1.085 13.314 -18.033 1.00 0.00 N ATOM 128 CZ ARG A 12 -0.688 12.382 -18.910 1.00 0.00 C ATOM 129 NH1 ARG A 12 -0.312 11.171 -18.476 1.00 0.00 N ATOM 130 NH2 ARG A 12 -0.666 12.661 -20.220 1.00 0.00 N ATOM 0 HA ARG A 12 -1.922 14.587 -13.472 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.418 15.373 -14.668 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.564 13.632 -14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.139 14.680 -15.482 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.867 15.244 -16.548 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.294 12.505 -16.244 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.044 12.549 -16.309 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.364 14.225 -18.397 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.328 10.959 -17.478 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.010 10.461 -19.143 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.951 13.583 -20.550 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.364 11.951 -20.888 1.00 0.00 H new ATOM 144 N TRP A 13 -1.968 12.139 -13.090 1.00 0.00 N ATOM 145 CA TRP A 13 -2.067 10.734 -12.733 1.00 0.00 C ATOM 146 C TRP A 13 -2.385 9.945 -14.004 1.00 0.00 C ATOM 147 O TRP A 13 -2.964 10.485 -14.946 1.00 0.00 O ATOM 148 CB TRP A 13 -3.098 10.522 -11.623 1.00 0.00 C ATOM 149 CG TRP A 13 -2.684 11.102 -10.269 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.539 12.391 -9.933 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.366 10.355 -9.075 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.152 12.529 -8.616 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.043 11.253 -8.078 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.351 8.968 -8.846 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.682 10.862 -6.783 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.988 8.594 -7.547 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.661 9.485 -6.531 1.00 0.00 C ATOM 0 H TRP A 13 -2.824 12.545 -13.468 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.123 10.372 -12.326 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.042 10.974 -11.927 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.279 9.453 -11.509 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.704 13.218 -10.608 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.978 13.407 -8.127 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.600 8.248 -9.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.433 11.584 -6.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.960 7.539 -7.318 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.392 9.117 -5.552 1.00 0.00 H new ATOM 168 N SER A 14 -1.993 8.679 -13.990 1.00 0.00 N ATOM 169 CA SER A 14 -2.230 7.810 -15.131 1.00 0.00 C ATOM 170 C SER A 14 -3.592 7.127 -14.994 1.00 0.00 C ATOM 171 O SER A 14 -4.304 7.344 -14.015 1.00 0.00 O ATOM 172 CB SER A 14 -1.122 6.763 -15.265 1.00 0.00 C ATOM 173 OG SER A 14 -0.516 6.790 -16.554 1.00 0.00 O ATOM 0 H SER A 14 -1.513 8.234 -13.207 1.00 0.00 H new ATOM 0 HA SER A 14 -2.226 8.421 -16.034 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.362 6.939 -14.503 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.535 5.772 -15.079 1.00 0.00 H new ATOM 0 HG SER A 14 0.187 6.109 -16.599 1.00 0.00 H new ATOM 179 N PRO A 15 -3.921 6.292 -16.016 1.00 0.00 N ATOM 180 CA PRO A 15 -5.185 5.575 -16.019 1.00 0.00 C ATOM 181 C PRO A 15 -5.156 4.408 -15.030 1.00 0.00 C ATOM 182 O PRO A 15 -4.096 3.847 -14.758 1.00 0.00 O ATOM 183 CB PRO A 15 -5.380 5.129 -17.459 1.00 0.00 C ATOM 184 CG PRO A 15 -4.009 5.206 -18.109 1.00 0.00 C ATOM 185 CD PRO A 15 -3.102 6.010 -17.191 1.00 0.00 C ATOM 0 HA PRO A 15 -6.020 6.193 -15.691 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.777 4.115 -17.503 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.093 5.773 -17.974 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.604 4.206 -18.266 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.077 5.679 -19.089 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.208 5.446 -16.925 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.768 6.930 -17.671 1.00 0.00 H new ATOM 193 N PRO A 16 -6.364 4.069 -14.506 1.00 0.00 N ATOM 194 CA PRO A 16 -6.487 2.979 -13.553 1.00 0.00 C ATOM 195 C PRO A 16 -6.372 1.624 -14.252 1.00 0.00 C ATOM 196 O PRO A 16 -7.091 1.353 -15.213 1.00 0.00 O ATOM 197 CB PRO A 16 -7.837 3.191 -12.886 1.00 0.00 C ATOM 198 CG PRO A 16 -8.618 4.111 -13.808 1.00 0.00 C ATOM 199 CD PRO A 16 -7.640 4.712 -14.805 1.00 0.00 C ATOM 0 HA PRO A 16 -5.687 2.975 -12.812 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.357 2.243 -12.748 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.719 3.637 -11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.400 3.557 -14.327 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.111 4.897 -13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.951 4.517 -15.831 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.574 5.794 -14.692 1.00 0.00 H new ATOM 207 N ARG A 17 -5.461 0.807 -13.743 1.00 0.00 N ATOM 208 CA ARG A 17 -5.242 -0.514 -14.307 1.00 0.00 C ATOM 209 C ARG A 17 -6.217 -1.522 -13.693 1.00 0.00 C ATOM 210 O ARG A 17 -6.677 -1.339 -12.567 1.00 0.00 O ATOM 211 CB ARG A 17 -3.808 -0.987 -14.061 1.00 0.00 C ATOM 212 CG ARG A 17 -2.805 0.133 -14.344 1.00 0.00 C ATOM 213 CD ARG A 17 -1.455 -0.161 -13.686 1.00 0.00 C ATOM 214 NE ARG A 17 -0.821 -1.332 -14.334 1.00 0.00 N ATOM 215 CZ ARG A 17 0.496 -1.578 -14.317 1.00 0.00 C ATOM 216 NH1 ARG A 17 1.326 -0.738 -13.685 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.982 -2.665 -14.931 1.00 0.00 N ATOM 0 H ARG A 17 -4.866 1.035 -12.946 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.411 -0.448 -15.382 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.704 -1.321 -13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.590 -1.845 -14.697 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.673 0.244 -15.420 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.197 1.080 -13.972 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.803 0.709 -13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.594 -0.354 -12.622 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.425 -1.992 -14.824 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.955 0.089 -13.217 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.329 -0.925 -13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.349 -3.305 -15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.985 -2.853 -14.918 1.00 0.00 H new ATOM 231 N GLY A 18 -6.503 -2.563 -14.461 1.00 0.00 N ATOM 232 CA GLY A 18 -7.414 -3.600 -14.007 1.00 0.00 C ATOM 233 C GLY A 18 -6.646 -4.833 -13.528 1.00 0.00 C ATOM 234 O GLY A 18 -6.045 -5.545 -14.330 1.00 0.00 O ATOM 0 H GLY A 18 -6.120 -2.711 -15.395 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.034 -3.216 -13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.087 -3.879 -14.818 1.00 0.00 H new ATOM 238 N ILE A 19 -6.691 -5.048 -12.221 1.00 0.00 N ATOM 239 CA ILE A 19 -6.008 -6.183 -11.625 1.00 0.00 C ATOM 240 C ILE A 19 -7.038 -7.240 -11.223 1.00 0.00 C ATOM 241 O ILE A 19 -8.186 -6.912 -10.926 1.00 0.00 O ATOM 242 CB ILE A 19 -5.114 -5.725 -10.471 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.311 -4.482 -10.859 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.211 -6.863 -9.991 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.327 -4.097 -9.753 1.00 0.00 C ATOM 0 H ILE A 19 -7.190 -4.455 -11.558 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.340 -6.648 -12.350 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.754 -5.447 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.767 -4.670 -11.785 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.990 -3.652 -11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.586 -6.510 -9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.826 -7.695 -9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.577 -7.196 -10.813 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.769 -3.210 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.876 -3.886 -8.835 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.634 -4.920 -9.580 1.00 0.00 H new ATOM 257 N HIS A 20 -6.591 -8.488 -11.226 1.00 0.00 N ATOM 258 CA HIS A 20 -7.460 -9.595 -10.865 1.00 0.00 C ATOM 259 C HIS A 20 -6.679 -10.608 -10.027 1.00 0.00 C ATOM 260 O HIS A 20 -5.792 -11.290 -10.538 1.00 0.00 O ATOM 261 CB HIS A 20 -8.093 -10.217 -12.111 1.00 0.00 C ATOM 262 CG HIS A 20 -7.196 -10.206 -13.326 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.437 -9.405 -14.428 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.057 -10.905 -13.600 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.481 -9.620 -15.319 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.627 -10.551 -14.804 1.00 0.00 N ATOM 0 H HIS A 20 -5.638 -8.756 -11.473 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.285 -9.230 -10.253 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.373 -11.247 -11.888 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.012 -9.680 -12.346 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.585 -11.625 -12.947 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.393 -9.142 -16.284 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.795 -10.915 -15.268 1.00 0.00 H new ATOM 274 N PHE A 21 -7.037 -10.676 -8.753 1.00 0.00 N ATOM 275 CA PHE A 21 -6.380 -11.595 -7.839 1.00 0.00 C ATOM 276 C PHE A 21 -7.278 -11.912 -6.641 1.00 0.00 C ATOM 277 O PHE A 21 -8.353 -11.331 -6.495 1.00 0.00 O ATOM 278 CB PHE A 21 -5.112 -10.900 -7.341 1.00 0.00 C ATOM 279 CG PHE A 21 -5.375 -9.738 -6.381 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.700 -8.512 -6.872 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.284 -9.931 -5.038 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.944 -7.433 -5.982 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.528 -8.852 -4.148 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.853 -7.626 -4.638 1.00 0.00 C ATOM 0 H PHE A 21 -7.774 -10.110 -8.332 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.157 -12.532 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.480 -11.634 -6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.552 -10.529 -8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.772 -8.359 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.026 -10.905 -4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.202 -6.459 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.455 -9.005 -3.081 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.039 -6.806 -3.961 1.00 0.00 H new ATOM 294 N THR A 22 -6.804 -12.833 -5.814 1.00 0.00 N ATOM 295 CA THR A 22 -7.551 -13.234 -4.634 1.00 0.00 C ATOM 296 C THR A 22 -6.800 -12.827 -3.365 1.00 0.00 C ATOM 297 O THR A 22 -5.774 -13.417 -3.030 1.00 0.00 O ATOM 298 CB THR A 22 -7.813 -14.738 -4.729 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.985 -14.836 -5.534 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.230 -15.346 -3.388 1.00 0.00 C ATOM 0 H THR A 22 -5.912 -13.313 -5.938 1.00 0.00 H new ATOM 0 HA THR A 22 -8.513 -12.725 -4.582 1.00 0.00 H new ATOM 0 HB THR A 22 -6.916 -15.240 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.225 -15.779 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.404 -16.415 -3.511 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.438 -15.189 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.146 -14.867 -3.041 1.00 0.00 H new ATOM 308 N VAL A 23 -7.340 -11.821 -2.693 1.00 0.00 N ATOM 309 CA VAL A 23 -6.734 -11.328 -1.468 1.00 0.00 C ATOM 310 C VAL A 23 -6.295 -12.515 -0.608 1.00 0.00 C ATOM 311 O VAL A 23 -6.723 -13.645 -0.838 1.00 0.00 O ATOM 312 CB VAL A 23 -7.704 -10.392 -0.743 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.251 -10.139 0.696 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.869 -9.076 -1.506 1.00 0.00 C ATOM 0 H VAL A 23 -8.191 -11.334 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.843 -10.741 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.677 -10.882 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.958 -9.471 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.210 -11.085 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.262 -9.681 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.563 -8.429 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.902 -8.580 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.260 -9.280 -2.503 1.00 0.00 H new ATOM 324 N GLU A 24 -5.445 -12.218 0.365 1.00 0.00 N ATOM 325 CA GLU A 24 -4.943 -13.246 1.260 1.00 0.00 C ATOM 326 C GLU A 24 -5.173 -12.840 2.717 1.00 0.00 C ATOM 327 O GLU A 24 -4.282 -12.284 3.358 1.00 0.00 O ATOM 328 CB GLU A 24 -3.463 -13.528 0.996 1.00 0.00 C ATOM 329 CG GLU A 24 -3.279 -14.341 -0.287 1.00 0.00 C ATOM 330 CD GLU A 24 -2.244 -15.450 -0.090 1.00 0.00 C ATOM 331 OE1 GLU A 24 -2.573 -16.410 0.640 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.147 -15.313 -0.673 1.00 0.00 O ATOM 0 H GLU A 24 -5.092 -11.280 0.553 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.494 -14.167 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.919 -12.587 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.037 -14.072 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.232 -14.777 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.963 -13.683 -1.096 1.00 0.00 H new ATOM 339 N GLU A 25 -6.372 -13.134 3.198 1.00 0.00 N ATOM 340 CA GLU A 25 -6.730 -12.806 4.567 1.00 0.00 C ATOM 341 C GLU A 25 -5.958 -13.695 5.545 1.00 0.00 C ATOM 342 O GLU A 25 -6.559 -14.410 6.346 1.00 0.00 O ATOM 343 CB GLU A 25 -8.239 -12.933 4.785 1.00 0.00 C ATOM 344 CG GLU A 25 -8.773 -14.232 4.179 1.00 0.00 C ATOM 345 CD GLU A 25 -9.847 -14.854 5.074 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.855 -14.155 5.320 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.637 -16.013 5.492 1.00 0.00 O ATOM 0 H GLU A 25 -7.108 -13.596 2.664 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.455 -11.768 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.459 -12.908 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.748 -12.081 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.188 -14.033 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.954 -14.938 4.044 1.00 0.00 H new ATOM 354 N GLY A 26 -4.639 -13.622 5.447 1.00 0.00 N ATOM 355 CA GLY A 26 -3.779 -14.411 6.312 1.00 0.00 C ATOM 356 C GLY A 26 -2.315 -13.996 6.156 1.00 0.00 C ATOM 357 O GLY A 26 -1.579 -13.922 7.139 1.00 0.00 O ATOM 0 H GLY A 26 -4.145 -13.028 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.088 -14.286 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.888 -15.469 6.073 1.00 0.00 H new ATOM 361 N ASP A 27 -1.936 -13.737 4.913 1.00 0.00 N ATOM 362 CA ASP A 27 -0.572 -13.332 4.616 1.00 0.00 C ATOM 363 C ASP A 27 -0.554 -12.541 3.306 1.00 0.00 C ATOM 364 O ASP A 27 -0.692 -13.116 2.227 1.00 0.00 O ATOM 365 CB ASP A 27 0.339 -14.549 4.446 1.00 0.00 C ATOM 366 CG ASP A 27 1.828 -14.277 4.669 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.227 -13.108 4.480 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.535 -15.246 5.024 1.00 0.00 O ATOM 0 H ASP A 27 -2.549 -13.800 4.100 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.211 -12.725 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.018 -15.324 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.204 -14.948 3.440 1.00 0.00 H new ATOM 373 N LEU A 28 -0.384 -11.234 3.443 1.00 0.00 N ATOM 374 CA LEU A 28 -0.346 -10.359 2.284 1.00 0.00 C ATOM 375 C LEU A 28 1.105 -10.173 1.838 1.00 0.00 C ATOM 376 O LEU A 28 2.018 -10.178 2.663 1.00 0.00 O ATOM 377 CB LEU A 28 -1.071 -9.044 2.582 1.00 0.00 C ATOM 378 CG LEU A 28 -2.591 -9.135 2.729 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.191 -7.769 3.070 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.228 -9.745 1.479 1.00 0.00 C ATOM 0 H LEU A 28 -0.271 -10.760 4.339 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.881 -10.810 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.661 -8.626 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.845 -8.338 1.783 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.814 -9.802 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.273 -7.861 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.770 -7.411 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.959 -7.061 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.309 -9.798 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.998 -9.124 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.832 -10.748 1.321 1.00 0.00 H new ATOM 392 N GLY A 29 1.274 -10.015 0.533 1.00 0.00 N ATOM 393 CA GLY A 29 2.599 -9.828 -0.033 1.00 0.00 C ATOM 394 C GLY A 29 2.879 -8.347 -0.297 1.00 0.00 C ATOM 395 O GLY A 29 3.694 -8.009 -1.154 1.00 0.00 O ATOM 0 H GLY A 29 0.515 -10.013 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.349 -10.228 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.683 -10.389 -0.964 1.00 0.00 H new ATOM 399 N PHE A 30 2.187 -7.504 0.455 1.00 0.00 N ATOM 400 CA PHE A 30 2.351 -6.067 0.312 1.00 0.00 C ATOM 401 C PHE A 30 1.663 -5.321 1.458 1.00 0.00 C ATOM 402 O PHE A 30 0.827 -5.888 2.159 1.00 0.00 O ATOM 403 CB PHE A 30 1.689 -5.670 -1.009 1.00 0.00 C ATOM 404 CG PHE A 30 0.164 -5.801 -1.005 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.419 -6.970 -1.383 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.608 -4.748 -0.624 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.833 -7.092 -1.380 1.00 0.00 C ATOM 408 CE2 PHE A 30 -2.022 -4.870 -0.620 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.605 -6.039 -0.998 1.00 0.00 C ATOM 0 H PHE A 30 1.512 -7.788 1.165 1.00 0.00 H new ATOM 0 HA PHE A 30 3.410 -5.810 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.954 -4.639 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.095 -6.291 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.194 -7.806 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.145 -3.819 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.296 -8.020 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.635 -4.034 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.681 -6.131 -0.995 1.00 0.00 H new ATOM 419 N THR A 31 2.042 -4.060 1.612 1.00 0.00 N ATOM 420 CA THR A 31 1.473 -3.231 2.660 1.00 0.00 C ATOM 421 C THR A 31 0.981 -1.903 2.081 1.00 0.00 C ATOM 422 O THR A 31 1.148 -1.640 0.891 1.00 0.00 O ATOM 423 CB THR A 31 2.528 -3.062 3.755 1.00 0.00 C ATOM 424 OG1 THR A 31 2.346 -1.724 4.210 1.00 0.00 O ATOM 425 CG2 THR A 31 3.954 -3.077 3.201 1.00 0.00 C ATOM 0 H THR A 31 2.736 -3.593 1.028 1.00 0.00 H new ATOM 0 HA THR A 31 0.596 -3.702 3.104 1.00 0.00 H new ATOM 0 HB THR A 31 2.417 -3.857 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.990 -1.531 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.664 -2.954 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.140 -4.027 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.076 -2.261 2.489 1.00 0.00 H new ATOM 433 N LEU A 32 0.384 -1.100 2.950 1.00 0.00 N ATOM 434 CA LEU A 32 -0.133 0.195 2.539 1.00 0.00 C ATOM 435 C LEU A 32 0.555 1.294 3.351 1.00 0.00 C ATOM 436 O LEU A 32 0.367 1.386 4.563 1.00 0.00 O ATOM 437 CB LEU A 32 -1.659 0.219 2.641 1.00 0.00 C ATOM 438 CG LEU A 32 -2.403 -0.837 1.821 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.917 -0.702 1.997 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.990 -0.778 0.349 1.00 0.00 C ATOM 0 H LEU A 32 0.247 -1.321 3.936 1.00 0.00 H new ATOM 0 HA LEU A 32 0.096 0.382 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.935 0.098 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.009 1.204 2.331 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.122 -1.821 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.422 -1.464 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.174 -0.831 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.235 0.286 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.533 -1.539 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.224 0.207 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.919 -0.960 0.264 1.00 0.00 H new ATOM 452 N ARG A 33 1.338 2.101 2.650 1.00 0.00 N ATOM 453 CA ARG A 33 2.055 3.191 3.290 1.00 0.00 C ATOM 454 C ARG A 33 1.515 4.538 2.805 1.00 0.00 C ATOM 455 O ARG A 33 0.928 4.624 1.728 1.00 0.00 O ATOM 456 CB ARG A 33 3.554 3.113 2.994 1.00 0.00 C ATOM 457 CG ARG A 33 4.155 1.818 3.544 1.00 0.00 C ATOM 458 CD ARG A 33 5.243 2.115 4.578 1.00 0.00 C ATOM 459 NE ARG A 33 6.104 0.925 4.762 1.00 0.00 N ATOM 460 CZ ARG A 33 7.095 0.847 5.661 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.356 1.888 6.462 1.00 0.00 N ATOM 462 NH2 ARG A 33 7.824 -0.273 5.757 1.00 0.00 N ATOM 0 H ARG A 33 1.492 2.022 1.645 1.00 0.00 H new ATOM 0 HA ARG A 33 1.904 3.101 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.719 3.166 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.061 3.970 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.371 1.213 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.575 1.232 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.845 2.963 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.787 2.395 5.528 1.00 0.00 H new ATOM 0 HE ARG A 33 5.932 0.114 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.801 2.740 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.110 1.829 7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.625 -1.065 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.578 -0.333 6.441 1.00 0.00 H new ATOM 476 N GLY A 34 1.734 5.556 3.624 1.00 0.00 N ATOM 477 CA GLY A 34 1.278 6.895 3.292 1.00 0.00 C ATOM 478 C GLY A 34 -0.121 7.153 3.856 1.00 0.00 C ATOM 479 O GLY A 34 -0.604 6.397 4.697 1.00 0.00 O ATOM 0 H GLY A 34 2.221 5.481 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.976 7.630 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.267 7.021 2.209 1.00 0.00 H new ATOM 483 N ASN A 35 -0.732 8.223 3.370 1.00 0.00 N ATOM 484 CA ASN A 35 -2.066 8.590 3.815 1.00 0.00 C ATOM 485 C ASN A 35 -3.086 8.169 2.755 1.00 0.00 C ATOM 486 O ASN A 35 -3.844 7.222 2.960 1.00 0.00 O ATOM 487 CB ASN A 35 -2.185 10.103 4.010 1.00 0.00 C ATOM 488 CG ASN A 35 -2.352 10.453 5.490 1.00 0.00 C ATOM 489 OD1 ASN A 35 -1.465 10.260 6.305 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.537 10.978 5.791 1.00 0.00 N ATOM 0 H ASN A 35 -0.328 8.848 2.672 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.255 8.088 4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.297 10.595 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.037 10.480 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.747 11.246 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.236 11.113 5.060 1.00 0.00 H new ATOM 497 N THR A 36 -3.073 8.894 1.646 1.00 0.00 N ATOM 498 CA THR A 36 -3.988 8.607 0.554 1.00 0.00 C ATOM 499 C THR A 36 -3.694 9.515 -0.641 1.00 0.00 C ATOM 500 O THR A 36 -3.383 10.693 -0.468 1.00 0.00 O ATOM 501 CB THR A 36 -5.416 8.745 1.086 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.222 8.781 -0.089 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.666 10.102 1.749 1.00 0.00 C ATOM 0 H THR A 36 -2.444 9.679 1.480 1.00 0.00 H new ATOM 0 HA THR A 36 -3.859 7.589 0.187 1.00 0.00 H new ATOM 0 HB THR A 36 -5.614 7.948 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.935 8.112 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.694 10.147 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.982 10.229 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.500 10.898 1.023 1.00 0.00 H new ATOM 511 N PRO A 37 -3.805 8.918 -1.858 1.00 0.00 N ATOM 512 CA PRO A 37 -4.178 7.519 -1.973 1.00 0.00 C ATOM 513 C PRO A 37 -3.009 6.607 -1.594 1.00 0.00 C ATOM 514 O PRO A 37 -1.887 6.804 -2.058 1.00 0.00 O ATOM 515 CB PRO A 37 -4.620 7.348 -3.417 1.00 0.00 C ATOM 516 CG PRO A 37 -4.042 8.533 -4.174 1.00 0.00 C ATOM 517 CD PRO A 37 -3.579 9.557 -3.151 1.00 0.00 C ATOM 0 HA PRO A 37 -4.979 7.239 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.255 6.407 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.707 7.329 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.209 8.216 -4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.792 8.966 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.527 9.808 -3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.143 10.486 -3.238 1.00 0.00 H new ATOM 525 N VAL A 38 -3.313 5.628 -0.754 1.00 0.00 N ATOM 526 CA VAL A 38 -2.302 4.685 -0.307 1.00 0.00 C ATOM 527 C VAL A 38 -1.606 4.074 -1.525 1.00 0.00 C ATOM 528 O VAL A 38 -2.172 4.043 -2.617 1.00 0.00 O ATOM 529 CB VAL A 38 -2.934 3.635 0.609 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.459 4.275 1.896 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.044 2.872 -0.116 1.00 0.00 C ATOM 0 H VAL A 38 -4.245 5.468 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.539 5.194 0.282 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.159 2.919 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.903 3.507 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.635 4.752 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.213 5.023 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.476 2.132 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.818 3.570 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.629 2.369 -0.990 1.00 0.00 H new ATOM 541 N GLN A 39 -0.389 3.604 -1.297 1.00 0.00 N ATOM 542 CA GLN A 39 0.390 2.995 -2.362 1.00 0.00 C ATOM 543 C GLN A 39 0.540 1.493 -2.118 1.00 0.00 C ATOM 544 O GLN A 39 -0.093 0.939 -1.220 1.00 0.00 O ATOM 545 CB GLN A 39 1.757 3.669 -2.495 1.00 0.00 C ATOM 546 CG GLN A 39 1.745 4.722 -3.605 1.00 0.00 C ATOM 547 CD GLN A 39 2.872 5.738 -3.409 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.888 5.714 -4.083 1.00 0.00 O ATOM 549 NE2 GLN A 39 2.634 6.631 -2.452 1.00 0.00 N ATOM 0 H GLN A 39 0.077 3.632 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.142 3.138 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.029 4.136 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.517 2.918 -2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.854 4.235 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.784 5.236 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.761 6.594 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.324 7.353 -2.245 1.00 0.00 H new ATOM 558 N VAL A 40 1.382 0.874 -2.933 1.00 0.00 N ATOM 559 CA VAL A 40 1.624 -0.554 -2.817 1.00 0.00 C ATOM 560 C VAL A 40 3.126 -0.802 -2.668 1.00 0.00 C ATOM 561 O VAL A 40 3.893 -0.569 -3.601 1.00 0.00 O ATOM 562 CB VAL A 40 1.013 -1.287 -4.013 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.357 -2.777 -3.977 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.502 -1.075 -4.070 1.00 0.00 C ATOM 0 H VAL A 40 1.905 1.336 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 40 1.139 -0.952 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 40 1.445 -0.866 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.911 -3.274 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.439 -2.901 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.966 -3.219 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.912 -1.606 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.957 -1.457 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.717 -0.011 -4.165 1.00 0.00 H new ATOM 574 N HIS A 41 3.502 -1.272 -1.488 1.00 0.00 N ATOM 575 CA HIS A 41 4.899 -1.554 -1.204 1.00 0.00 C ATOM 576 C HIS A 41 5.158 -3.055 -1.345 1.00 0.00 C ATOM 577 O HIS A 41 5.488 -3.726 -0.369 1.00 0.00 O ATOM 578 CB HIS A 41 5.295 -1.011 0.170 1.00 0.00 C ATOM 579 CG HIS A 41 6.719 -0.514 0.246 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.183 0.549 -0.509 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.774 -0.944 0.996 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.462 0.741 -0.220 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.827 -0.186 0.713 1.00 0.00 N ATOM 0 H HIS A 41 2.863 -1.465 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 41 5.532 -1.041 -1.929 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.622 -0.196 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.154 -1.795 0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.756 -1.762 1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.103 1.498 -0.648 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.755 -0.281 1.125 1.00 0.00 H new ATOM 591 N PHE A 42 4.997 -3.539 -2.569 1.00 0.00 N ATOM 592 CA PHE A 42 5.209 -4.948 -2.850 1.00 0.00 C ATOM 593 C PHE A 42 6.365 -5.506 -2.017 1.00 0.00 C ATOM 594 O PHE A 42 7.465 -4.956 -2.028 1.00 0.00 O ATOM 595 CB PHE A 42 5.566 -5.059 -4.334 1.00 0.00 C ATOM 596 CG PHE A 42 4.397 -5.483 -5.225 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.589 -6.509 -4.845 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.165 -4.834 -6.397 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.504 -6.902 -5.672 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.080 -5.227 -7.224 1.00 0.00 C ATOM 601 CZ PHE A 42 2.272 -6.253 -6.844 1.00 0.00 C ATOM 0 H PHE A 42 4.722 -2.980 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 42 4.312 -5.515 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.942 -4.096 -4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.377 -5.778 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.773 -7.025 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.806 -4.019 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.863 -7.717 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.896 -4.711 -8.155 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.447 -6.552 -7.473 1.00 0.00 H new ATOM 611 N LEU A 43 6.076 -6.591 -1.314 1.00 0.00 N ATOM 612 CA LEU A 43 7.077 -7.230 -0.477 1.00 0.00 C ATOM 613 C LEU A 43 7.455 -8.583 -1.082 1.00 0.00 C ATOM 614 O LEU A 43 8.583 -9.045 -0.923 1.00 0.00 O ATOM 615 CB LEU A 43 6.588 -7.318 0.970 1.00 0.00 C ATOM 616 CG LEU A 43 6.158 -5.999 1.615 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.404 -6.248 2.923 1.00 0.00 C ATOM 618 CD2 LEU A 43 7.356 -5.068 1.812 1.00 0.00 C ATOM 0 H LEU A 43 5.162 -7.044 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 43 7.987 -6.630 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.746 -8.009 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.383 -7.753 1.575 1.00 0.00 H new ATOM 0 HG LEU A 43 5.468 -5.496 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.110 -5.294 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.514 -6.845 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.050 -6.783 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.022 -4.138 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.089 -5.550 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.811 -4.852 0.846 1.00 0.00 H new ATOM 630 N ASP A 44 6.488 -9.181 -1.764 1.00 0.00 N ATOM 631 CA ASP A 44 6.705 -10.472 -2.394 1.00 0.00 C ATOM 632 C ASP A 44 6.325 -10.383 -3.873 1.00 0.00 C ATOM 633 O ASP A 44 5.156 -10.194 -4.207 1.00 0.00 O ATOM 634 CB ASP A 44 5.838 -11.553 -1.747 1.00 0.00 C ATOM 635 CG ASP A 44 6.117 -11.804 -0.264 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.100 -11.216 0.237 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.341 -12.579 0.337 1.00 0.00 O ATOM 0 H ASP A 44 5.553 -8.795 -1.894 1.00 0.00 H new ATOM 0 HA ASP A 44 7.756 -10.734 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.790 -11.274 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.981 -12.486 -2.291 1.00 0.00 H new ATOM 642 N PRO A 45 7.360 -10.527 -4.743 1.00 0.00 N ATOM 643 CA PRO A 45 7.146 -10.466 -6.178 1.00 0.00 C ATOM 644 C PRO A 45 6.491 -11.750 -6.691 1.00 0.00 C ATOM 645 O PRO A 45 6.249 -11.892 -7.889 1.00 0.00 O ATOM 646 CB PRO A 45 8.525 -10.224 -6.772 1.00 0.00 C ATOM 647 CG PRO A 45 9.518 -10.622 -5.692 1.00 0.00 C ATOM 648 CD PRO A 45 8.757 -10.753 -4.383 1.00 0.00 C ATOM 0 HA PRO A 45 6.457 -9.672 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.671 -10.817 -7.675 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.651 -9.179 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.002 -11.564 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.305 -9.873 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.897 -11.739 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.100 -10.023 -3.650 1.00 0.00 H new ATOM 656 N HIS A 46 6.223 -12.652 -5.759 1.00 0.00 N ATOM 657 CA HIS A 46 5.601 -13.920 -6.101 1.00 0.00 C ATOM 658 C HIS A 46 4.649 -14.344 -4.981 1.00 0.00 C ATOM 659 O HIS A 46 4.831 -15.396 -4.371 1.00 0.00 O ATOM 660 CB HIS A 46 6.661 -14.979 -6.410 1.00 0.00 C ATOM 661 CG HIS A 46 7.368 -14.774 -7.729 1.00 0.00 C ATOM 662 ND1 HIS A 46 6.917 -14.268 -8.913 1.00 0.00 N flip ATOM 663 CD2 HIS A 46 8.697 -15.107 -7.927 1.00 0.00 C flip ATOM 664 CE1 HIS A 46 7.917 -14.289 -9.786 1.00 0.00 C flip ATOM 665 NE2 HIS A 46 9.021 -14.810 -9.177 1.00 0.00 N flip ATOM 0 H HIS A 46 6.425 -12.530 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 46 5.009 -13.805 -7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.401 -14.982 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.189 -15.961 -6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.358 -15.536 -7.188 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.865 -13.949 -10.810 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.935 -14.947 -9.608 1.00 0.00 H new ATOM 673 N CYS A 47 3.654 -13.502 -4.744 1.00 0.00 N ATOM 674 CA CYS A 47 2.673 -13.775 -3.708 1.00 0.00 C ATOM 675 C CYS A 47 1.312 -13.978 -4.377 1.00 0.00 C ATOM 676 O CYS A 47 0.627 -14.965 -4.112 1.00 0.00 O ATOM 677 CB CYS A 47 2.632 -12.663 -2.659 1.00 0.00 C ATOM 678 SG CYS A 47 2.601 -11.028 -3.481 1.00 0.00 S ATOM 0 H CYS A 47 3.506 -12.630 -5.252 1.00 0.00 H new ATOM 0 HA CYS A 47 2.952 -14.681 -3.170 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.751 -12.779 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.502 -12.735 -2.007 1.00 0.00 H new ATOM 0 HG CYS A 47 3.812 -10.565 -3.571 1.00 0.00 H new ATOM 684 N SER A 48 0.960 -13.029 -5.231 1.00 0.00 N ATOM 685 CA SER A 48 -0.306 -13.091 -5.940 1.00 0.00 C ATOM 686 C SER A 48 -0.565 -11.769 -6.667 1.00 0.00 C ATOM 687 O SER A 48 -0.564 -11.722 -7.896 1.00 0.00 O ATOM 688 CB SER A 48 -1.458 -13.405 -4.984 1.00 0.00 C ATOM 689 OG SER A 48 -1.690 -14.806 -4.869 1.00 0.00 O ATOM 0 H SER A 48 1.530 -12.212 -5.448 1.00 0.00 H new ATOM 0 HA SER A 48 -0.248 -13.896 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.235 -12.993 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.366 -12.915 -5.337 1.00 0.00 H new ATOM 0 HG SER A 48 -0.835 -15.271 -4.756 1.00 0.00 H new ATOM 695 N ALA A 49 -0.781 -10.728 -5.876 1.00 0.00 N ATOM 696 CA ALA A 49 -1.040 -9.410 -6.428 1.00 0.00 C ATOM 697 C ALA A 49 -0.103 -9.164 -7.612 1.00 0.00 C ATOM 698 O ALA A 49 -0.557 -8.879 -8.719 1.00 0.00 O ATOM 699 CB ALA A 49 -0.881 -8.356 -5.330 1.00 0.00 C ATOM 0 H ALA A 49 -0.782 -10.771 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.063 -9.344 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.075 -7.367 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.589 -8.558 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.135 -8.391 -4.936 1.00 0.00 H new ATOM 705 N SER A 50 1.188 -9.282 -7.338 1.00 0.00 N ATOM 706 CA SER A 50 2.193 -9.076 -8.367 1.00 0.00 C ATOM 707 C SER A 50 1.917 -9.995 -9.559 1.00 0.00 C ATOM 708 O SER A 50 1.994 -9.565 -10.709 1.00 0.00 O ATOM 709 CB SER A 50 3.600 -9.325 -7.820 1.00 0.00 C ATOM 710 OG SER A 50 4.474 -8.228 -8.076 1.00 0.00 O ATOM 0 H SER A 50 1.561 -9.518 -6.418 1.00 0.00 H new ATOM 0 HA SER A 50 2.138 -8.038 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.545 -9.502 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.010 -10.228 -8.272 1.00 0.00 H new ATOM 0 HG SER A 50 4.048 -7.395 -7.784 1.00 0.00 H new ATOM 716 N LEU A 51 1.602 -11.243 -9.244 1.00 0.00 N ATOM 717 CA LEU A 51 1.315 -12.225 -10.275 1.00 0.00 C ATOM 718 C LEU A 51 0.029 -11.832 -11.004 1.00 0.00 C ATOM 719 O LEU A 51 -0.247 -12.328 -12.095 1.00 0.00 O ATOM 720 CB LEU A 51 1.277 -13.633 -9.677 1.00 0.00 C ATOM 721 CG LEU A 51 2.558 -14.103 -8.984 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.242 -14.794 -7.656 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.387 -14.994 -9.911 1.00 0.00 C ATOM 0 H LEU A 51 1.539 -11.596 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 51 2.111 -12.240 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.460 -13.678 -8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.039 -14.338 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 51 3.163 -13.226 -8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.170 -15.118 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.724 -14.097 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.606 -15.660 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.292 -15.314 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.802 -15.869 -10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.659 -14.434 -10.806 1.00 0.00 H new ATOM 735 N ALA A 52 -0.724 -10.944 -10.371 1.00 0.00 N ATOM 736 CA ALA A 52 -1.975 -10.478 -10.946 1.00 0.00 C ATOM 737 C ALA A 52 -1.674 -9.524 -12.104 1.00 0.00 C ATOM 738 O ALA A 52 -2.138 -9.735 -13.224 1.00 0.00 O ATOM 739 CB ALA A 52 -2.825 -9.823 -9.856 1.00 0.00 C ATOM 0 H ALA A 52 -0.492 -10.535 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.548 -11.313 -11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.763 -9.473 -10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.035 -10.550 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.284 -8.978 -9.431 1.00 0.00 H new ATOM 745 N GLY A 53 -0.901 -8.493 -11.794 1.00 0.00 N ATOM 746 CA GLY A 53 -0.533 -7.506 -12.795 1.00 0.00 C ATOM 747 C GLY A 53 -0.397 -6.116 -12.170 1.00 0.00 C ATOM 748 O GLY A 53 -0.884 -5.132 -12.723 1.00 0.00 O ATOM 0 H GLY A 53 -0.520 -8.320 -10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.409 -7.792 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.287 -7.483 -13.582 1.00 0.00 H new ATOM 752 N ALA A 54 0.269 -6.081 -11.025 1.00 0.00 N ATOM 753 CA ALA A 54 0.476 -4.828 -10.318 1.00 0.00 C ATOM 754 C ALA A 54 1.960 -4.460 -10.366 1.00 0.00 C ATOM 755 O ALA A 54 2.780 -5.233 -10.859 1.00 0.00 O ATOM 756 CB ALA A 54 -0.047 -4.957 -8.886 1.00 0.00 C ATOM 0 H ALA A 54 0.672 -6.900 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.079 -4.021 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.108 -4.017 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.112 -5.190 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.489 -5.756 -8.373 1.00 0.00 H new ATOM 762 N LYS A 55 2.261 -3.278 -9.847 1.00 0.00 N ATOM 763 CA LYS A 55 3.632 -2.798 -9.824 1.00 0.00 C ATOM 764 C LYS A 55 3.841 -1.921 -8.588 1.00 0.00 C ATOM 765 O LYS A 55 2.877 -1.518 -7.939 1.00 0.00 O ATOM 766 CB LYS A 55 3.977 -2.098 -11.140 1.00 0.00 C ATOM 767 CG LYS A 55 4.320 -3.117 -12.229 1.00 0.00 C ATOM 768 CD LYS A 55 5.420 -2.585 -13.151 1.00 0.00 C ATOM 769 CE LYS A 55 6.175 -3.733 -13.822 1.00 0.00 C ATOM 770 NZ LYS A 55 6.864 -3.257 -15.043 1.00 0.00 N ATOM 0 H LYS A 55 1.579 -2.639 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 55 4.326 -3.634 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.135 -1.486 -11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.821 -1.425 -10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.646 -4.050 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.428 -3.344 -12.814 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.981 -1.940 -13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.116 -1.973 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.902 -4.153 -13.127 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.480 -4.533 -14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.372 -4.049 -15.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.163 -2.877 -15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.542 -2.510 -14.790 1.00 0.00 H new ATOM 784 N GLU A 56 5.105 -1.650 -8.300 1.00 0.00 N ATOM 785 CA GLU A 56 5.452 -0.828 -7.154 1.00 0.00 C ATOM 786 C GLU A 56 5.072 0.631 -7.413 1.00 0.00 C ATOM 787 O GLU A 56 5.255 1.137 -8.519 1.00 0.00 O ATOM 788 CB GLU A 56 6.939 -0.956 -6.816 1.00 0.00 C ATOM 789 CG GLU A 56 7.188 -2.137 -5.876 1.00 0.00 C ATOM 790 CD GLU A 56 8.682 -2.452 -5.776 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.339 -1.823 -4.918 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.133 -3.316 -6.559 1.00 0.00 O ATOM 0 H GLU A 56 5.902 -1.985 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 56 4.886 -1.183 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.514 -1.089 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.290 -0.035 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.794 -1.908 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.651 -3.014 -6.238 1.00 0.00 H new ATOM 799 N GLY A 57 4.552 1.268 -6.374 1.00 0.00 N ATOM 800 CA GLY A 57 4.145 2.659 -6.475 1.00 0.00 C ATOM 801 C GLY A 57 2.699 2.773 -6.963 1.00 0.00 C ATOM 802 O GLY A 57 2.264 3.845 -7.382 1.00 0.00 O ATOM 0 H GLY A 57 4.403 0.846 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.244 3.142 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.807 3.186 -7.162 1.00 0.00 H new ATOM 806 N ASP A 58 1.994 1.654 -6.891 1.00 0.00 N ATOM 807 CA ASP A 58 0.606 1.615 -7.320 1.00 0.00 C ATOM 808 C ASP A 58 -0.276 2.239 -6.237 1.00 0.00 C ATOM 809 O ASP A 58 -0.180 1.873 -5.066 1.00 0.00 O ATOM 810 CB ASP A 58 0.137 0.175 -7.539 1.00 0.00 C ATOM 811 CG ASP A 58 0.614 -0.469 -8.842 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.304 0.240 -9.606 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.279 -1.656 -9.044 1.00 0.00 O ATOM 0 H ASP A 58 2.358 0.767 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 58 0.528 2.167 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.481 -0.434 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.953 0.157 -7.520 1.00 0.00 H new ATOM 818 N TYR A 59 -1.114 3.172 -6.665 1.00 0.00 N ATOM 819 CA TYR A 59 -2.012 3.850 -5.746 1.00 0.00 C ATOM 820 C TYR A 59 -3.437 3.308 -5.871 1.00 0.00 C ATOM 821 O TYR A 59 -4.057 3.419 -6.928 1.00 0.00 O ATOM 822 CB TYR A 59 -2.002 5.324 -6.159 1.00 0.00 C ATOM 823 CG TYR A 59 -0.627 5.988 -6.063 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.359 5.669 -6.975 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.371 6.905 -5.064 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.653 6.294 -6.885 1.00 0.00 C ATOM 827 CE2 TYR A 59 0.923 7.530 -4.973 1.00 0.00 C ATOM 828 CZ TYR A 59 1.871 7.193 -5.888 1.00 0.00 C ATOM 829 OH TYR A 59 3.094 7.783 -5.803 1.00 0.00 O ATOM 0 H TYR A 59 -1.190 3.474 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.691 3.701 -4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.363 5.406 -7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.703 5.872 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.160 4.950 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.142 7.154 -4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.433 6.054 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.136 8.250 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 59 3.696 7.214 -5.279 1.00 0.00 H new ATOM 839 N ILE A 60 -3.915 2.733 -4.777 1.00 0.00 N ATOM 840 CA ILE A 60 -5.255 2.173 -4.751 1.00 0.00 C ATOM 841 C ILE A 60 -6.279 3.305 -4.866 1.00 0.00 C ATOM 842 O ILE A 60 -6.244 4.258 -4.089 1.00 0.00 O ATOM 843 CB ILE A 60 -5.445 1.295 -3.512 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.473 0.113 -3.523 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.900 0.840 -3.380 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.984 -0.207 -2.110 1.00 0.00 C ATOM 0 H ILE A 60 -3.398 2.643 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.409 1.515 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.214 1.893 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.964 -0.762 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.621 0.344 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.007 0.218 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.548 1.712 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.183 0.265 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.295 -1.051 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.473 0.662 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.836 -0.461 -1.479 1.00 0.00 H new ATOM 858 N VAL A 61 -7.165 3.162 -5.840 1.00 0.00 N ATOM 859 CA VAL A 61 -8.196 4.160 -6.066 1.00 0.00 C ATOM 860 C VAL A 61 -9.567 3.548 -5.770 1.00 0.00 C ATOM 861 O VAL A 61 -10.440 4.212 -5.215 1.00 0.00 O ATOM 862 CB VAL A 61 -8.084 4.716 -7.487 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.882 5.654 -7.615 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.008 3.584 -8.514 1.00 0.00 C ATOM 0 H VAL A 61 -7.190 2.370 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.064 5.004 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.984 5.295 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.825 6.035 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.995 6.487 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.968 5.108 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.929 4.006 -9.516 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.133 2.966 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.908 2.972 -8.448 1.00 0.00 H new ATOM 874 N SER A 62 -9.712 2.288 -6.154 1.00 0.00 N ATOM 875 CA SER A 62 -10.961 1.579 -5.937 1.00 0.00 C ATOM 876 C SER A 62 -10.692 0.080 -5.784 1.00 0.00 C ATOM 877 O SER A 62 -9.625 -0.404 -6.159 1.00 0.00 O ATOM 878 CB SER A 62 -11.942 1.827 -7.084 1.00 0.00 C ATOM 879 OG SER A 62 -12.220 3.214 -7.258 1.00 0.00 O ATOM 0 H SER A 62 -8.985 1.740 -6.614 1.00 0.00 H new ATOM 0 HA SER A 62 -11.413 1.957 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.530 1.421 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.872 1.293 -6.888 1.00 0.00 H new ATOM 0 HG SER A 62 -12.955 3.477 -6.666 1.00 0.00 H new ATOM 885 N ILE A 63 -11.678 -0.612 -5.232 1.00 0.00 N ATOM 886 CA ILE A 63 -11.561 -2.046 -5.025 1.00 0.00 C ATOM 887 C ILE A 63 -12.942 -2.691 -5.164 1.00 0.00 C ATOM 888 O ILE A 63 -13.785 -2.557 -4.278 1.00 0.00 O ATOM 889 CB ILE A 63 -10.876 -2.340 -3.689 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.477 -1.721 -3.642 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.848 -3.843 -3.407 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.740 -2.129 -2.365 1.00 0.00 C ATOM 0 H ILE A 63 -12.561 -0.207 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.923 -2.491 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.460 -1.874 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.905 -2.039 -4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.554 -0.635 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.356 -4.025 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.868 -4.225 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.300 -4.352 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.749 -1.676 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.302 -1.788 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.643 -3.214 -2.332 1.00 0.00 H new ATOM 904 N GLN A 64 -13.130 -3.376 -6.282 1.00 0.00 N ATOM 905 CA GLN A 64 -14.393 -4.042 -6.547 1.00 0.00 C ATOM 906 C GLN A 64 -15.445 -3.026 -6.998 1.00 0.00 C ATOM 907 O GLN A 64 -16.585 -3.391 -7.279 1.00 0.00 O ATOM 908 CB GLN A 64 -14.873 -4.819 -5.319 1.00 0.00 C ATOM 909 CG GLN A 64 -15.054 -6.303 -5.645 1.00 0.00 C ATOM 910 CD GLN A 64 -16.116 -6.500 -6.729 1.00 0.00 C ATOM 911 OE1 GLN A 64 -17.075 -5.754 -6.838 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.892 -7.544 -7.522 1.00 0.00 N ATOM 0 H GLN A 64 -12.429 -3.484 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.240 -4.760 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.153 -4.706 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.817 -4.403 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.106 -6.724 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.344 -6.844 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.069 -8.128 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.543 -7.760 -8.277 1.00 0.00 H new ATOM 921 N GLY A 65 -15.023 -1.771 -7.054 1.00 0.00 N ATOM 922 CA GLY A 65 -15.914 -0.700 -7.466 1.00 0.00 C ATOM 923 C GLY A 65 -16.134 0.298 -6.327 1.00 0.00 C ATOM 924 O GLY A 65 -17.007 1.160 -6.413 1.00 0.00 O ATOM 0 H GLY A 65 -14.076 -1.472 -6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.494 -0.185 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.871 -1.118 -7.778 1.00 0.00 H new ATOM 928 N VAL A 66 -15.327 0.148 -5.287 1.00 0.00 N ATOM 929 CA VAL A 66 -15.423 1.026 -4.133 1.00 0.00 C ATOM 930 C VAL A 66 -14.615 2.298 -4.396 1.00 0.00 C ATOM 931 O VAL A 66 -14.047 2.465 -5.475 1.00 0.00 O ATOM 932 CB VAL A 66 -14.975 0.283 -2.872 1.00 0.00 C ATOM 933 CG1 VAL A 66 -13.449 0.190 -2.804 1.00 0.00 C ATOM 934 CG2 VAL A 66 -15.541 0.947 -1.615 1.00 0.00 C ATOM 0 H VAL A 66 -14.604 -0.568 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.457 1.327 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.370 -0.732 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -13.157 -0.342 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -13.078 -0.347 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -13.024 1.193 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.208 0.400 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.189 1.977 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.630 0.938 -1.658 1.00 0.00 H new ATOM 944 N ASP A 67 -14.589 3.163 -3.393 1.00 0.00 N ATOM 945 CA ASP A 67 -13.860 4.415 -3.503 1.00 0.00 C ATOM 946 C ASP A 67 -12.703 4.416 -2.502 1.00 0.00 C ATOM 947 O ASP A 67 -12.881 4.785 -1.342 1.00 0.00 O ATOM 948 CB ASP A 67 -14.763 5.608 -3.183 1.00 0.00 C ATOM 949 CG ASP A 67 -15.027 6.552 -4.357 1.00 0.00 C ATOM 950 OD1 ASP A 67 -15.951 6.240 -5.140 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.300 7.565 -4.445 1.00 0.00 O ATOM 0 H ASP A 67 -15.061 3.022 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.494 4.504 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.718 5.233 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.311 6.179 -2.372 1.00 0.00 H new ATOM 956 N CYS A 68 -11.543 3.998 -2.987 1.00 0.00 N ATOM 957 CA CYS A 68 -10.357 3.946 -2.149 1.00 0.00 C ATOM 958 C CYS A 68 -9.390 5.035 -2.618 1.00 0.00 C ATOM 959 O CYS A 68 -8.188 4.798 -2.726 1.00 0.00 O ATOM 960 CB CYS A 68 -9.710 2.560 -2.171 1.00 0.00 C ATOM 961 SG CYS A 68 -10.723 1.381 -1.206 1.00 0.00 S ATOM 0 H CYS A 68 -11.399 3.692 -3.949 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.633 4.129 -1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.612 2.212 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.704 2.613 -1.755 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.166 0.207 -1.233 1.00 0.00 H new ATOM 967 N LYS A 69 -9.951 6.206 -2.884 1.00 0.00 N ATOM 968 CA LYS A 69 -9.153 7.332 -3.339 1.00 0.00 C ATOM 969 C LYS A 69 -8.938 8.302 -2.175 1.00 0.00 C ATOM 970 O LYS A 69 -7.966 9.056 -2.162 1.00 0.00 O ATOM 971 CB LYS A 69 -9.792 7.979 -4.569 1.00 0.00 C ATOM 972 CG LYS A 69 -8.726 8.405 -5.580 1.00 0.00 C ATOM 973 CD LYS A 69 -8.835 9.898 -5.896 1.00 0.00 C ATOM 974 CE LYS A 69 -10.047 10.184 -6.784 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.629 10.867 -8.028 1.00 0.00 N ATOM 0 H LYS A 69 -10.948 6.399 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.167 6.996 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.482 7.277 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.378 8.847 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.735 8.185 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.838 7.827 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.918 10.464 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.926 10.235 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.555 9.251 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.762 10.805 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.464 11.054 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.165 11.767 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.964 10.261 -8.550 1.00 0.00 H new ATOM 989 N TRP A 70 -9.861 8.250 -1.226 1.00 0.00 N ATOM 990 CA TRP A 70 -9.784 9.115 -0.060 1.00 0.00 C ATOM 991 C TRP A 70 -9.459 8.244 1.155 1.00 0.00 C ATOM 992 O TRP A 70 -8.723 8.664 2.045 1.00 0.00 O ATOM 993 CB TRP A 70 -11.074 9.921 0.110 1.00 0.00 C ATOM 994 CG TRP A 70 -11.591 10.548 -1.186 1.00 0.00 C ATOM 995 CD1 TRP A 70 -12.384 9.992 -2.113 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.319 11.882 -1.664 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.641 10.866 -3.149 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.973 12.052 -2.867 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.546 12.911 -1.099 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.921 13.239 -3.607 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.504 14.092 -1.850 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -11.157 14.279 -3.063 1.00 0.00 C ATOM 0 H TRP A 70 -10.666 7.623 -1.240 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.992 9.854 -0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.846 9.270 0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.903 10.711 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.773 8.986 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.215 10.677 -3.970 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.025 12.799 -0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.442 13.347 -4.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.924 14.915 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.075 15.222 -3.583 1.00 0.00 H new ATOM 1013 N LEU A 71 -10.024 7.045 1.152 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.804 6.111 2.242 1.00 0.00 C ATOM 1015 C LEU A 71 -8.329 6.147 2.648 1.00 0.00 C ATOM 1016 O LEU A 71 -7.466 6.484 1.839 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.303 4.716 1.862 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.813 4.575 1.662 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.223 3.102 1.597 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.582 5.336 2.744 1.00 0.00 C ATOM 0 H LEU A 71 -10.634 6.699 0.411 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.384 6.404 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.805 4.412 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.993 4.017 2.638 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.074 5.024 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.301 3.030 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.714 2.619 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.946 2.606 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.653 5.220 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.321 4.938 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.321 6.393 2.700 1.00 0.00 H new ATOM 1032 N THR A 72 -8.085 5.795 3.902 1.00 0.00 N ATOM 1033 CA THR A 72 -6.729 5.783 4.425 1.00 0.00 C ATOM 1034 C THR A 72 -6.121 4.384 4.298 1.00 0.00 C ATOM 1035 O THR A 72 -6.482 3.626 3.400 1.00 0.00 O ATOM 1036 CB THR A 72 -6.774 6.297 5.866 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.235 5.180 6.619 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.854 7.360 6.075 1.00 0.00 C ATOM 0 H THR A 72 -8.803 5.516 4.571 1.00 0.00 H new ATOM 0 HA THR A 72 -6.077 6.440 3.850 1.00 0.00 H new ATOM 0 HB THR A 72 -5.802 6.710 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.141 5.358 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.843 7.690 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.659 8.210 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.831 6.938 5.839 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.208 4.086 5.211 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.547 2.792 5.212 1.00 0.00 C ATOM 1048 C VAL A 73 -5.438 1.769 5.919 1.00 0.00 C ATOM 1049 O VAL A 73 -5.713 0.700 5.376 1.00 0.00 O ATOM 1050 CB VAL A 73 -3.159 2.915 5.845 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.536 1.536 6.073 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -2.244 3.796 4.993 1.00 0.00 C ATOM 0 H VAL A 73 -4.911 4.718 5.954 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.395 2.440 4.192 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.275 3.395 6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.550 1.652 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.173 0.954 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.440 1.018 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.264 3.867 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.138 3.358 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.677 4.792 4.905 1.00 0.00 H new ATOM 1062 N SER A 74 -5.864 2.132 7.120 1.00 0.00 N ATOM 1063 CA SER A 74 -6.718 1.259 7.907 1.00 0.00 C ATOM 1064 C SER A 74 -7.960 0.877 7.100 1.00 0.00 C ATOM 1065 O SER A 74 -8.354 -0.288 7.075 1.00 0.00 O ATOM 1066 CB SER A 74 -7.124 1.926 9.223 1.00 0.00 C ATOM 1067 OG SER A 74 -7.703 0.997 10.136 1.00 0.00 O ATOM 0 H SER A 74 -5.633 3.019 7.567 1.00 0.00 H new ATOM 0 HA SER A 74 -6.156 0.356 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.249 2.387 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.836 2.726 9.020 1.00 0.00 H new ATOM 0 HG SER A 74 -7.947 1.461 10.964 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.543 1.880 6.460 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.733 1.663 5.655 1.00 0.00 C ATOM 1075 C GLU A 75 -9.473 0.582 4.604 1.00 0.00 C ATOM 1076 O GLU A 75 -9.985 -0.531 4.713 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.195 2.965 4.998 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.131 3.745 5.925 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.521 5.095 6.310 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -9.791 5.119 7.324 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -10.800 6.071 5.581 1.00 0.00 O ATOM 0 H GLU A 75 -8.213 2.845 6.483 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.534 1.320 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.329 3.579 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.707 2.742 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.090 3.903 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.328 3.161 6.824 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.677 0.947 3.610 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.342 0.022 2.540 1.00 0.00 C ATOM 1090 C VAL A 76 -8.087 -1.365 3.133 1.00 0.00 C ATOM 1091 O VAL A 76 -8.763 -2.329 2.778 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.154 0.557 1.738 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.623 -0.503 0.772 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.529 1.840 0.993 1.00 0.00 C ATOM 0 H VAL A 76 -8.254 1.871 3.523 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.173 -0.071 1.841 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.357 0.799 2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.779 -0.097 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.299 -1.378 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.412 -0.790 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.667 2.199 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.350 1.635 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.837 2.601 1.710 1.00 0.00 H new ATOM 1104 N MET A 77 -7.109 -1.422 4.025 1.00 0.00 N ATOM 1105 CA MET A 77 -6.757 -2.675 4.670 1.00 0.00 C ATOM 1106 C MET A 77 -8.005 -3.509 4.967 1.00 0.00 C ATOM 1107 O MET A 77 -8.071 -4.683 4.607 1.00 0.00 O ATOM 1108 CB MET A 77 -6.013 -2.386 5.976 1.00 0.00 C ATOM 1109 CG MET A 77 -4.499 -2.402 5.760 1.00 0.00 C ATOM 1110 SD MET A 77 -3.962 -4.047 5.323 1.00 0.00 S ATOM 1111 CE MET A 77 -2.726 -3.655 4.097 1.00 0.00 C ATOM 0 H MET A 77 -6.549 -0.620 4.316 1.00 0.00 H new ATOM 0 HA MET A 77 -6.117 -3.242 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.318 -1.415 6.365 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.285 -3.129 6.726 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.229 -1.701 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.991 -2.073 6.666 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.962 -4.432 4.089 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.194 -3.596 3.114 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.266 -2.697 4.338 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.963 -2.869 5.621 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.205 -3.538 5.970 1.00 0.00 C ATOM 1123 C LYS A 78 -10.988 -3.850 4.693 1.00 0.00 C ATOM 1124 O LYS A 78 -11.568 -4.927 4.565 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.992 -2.708 6.987 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.669 -3.143 8.418 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.629 -1.940 9.361 1.00 0.00 C ATOM 1128 CE LYS A 78 -11.691 -2.065 10.456 1.00 0.00 C ATOM 1129 NZ LYS A 78 -11.130 -1.678 11.769 1.00 0.00 N ATOM 0 H LYS A 78 -8.905 -1.895 5.918 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.001 -4.490 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.754 -1.652 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.061 -2.818 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.418 -3.855 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.708 -3.657 8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.641 -1.862 9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.792 -1.024 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.544 -1.430 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.059 -3.090 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.864 -1.769 12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.330 -2.301 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.801 -0.692 11.729 1.00 0.00 H new ATOM 1143 N LEU A 79 -10.979 -2.888 3.782 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.680 -3.047 2.519 1.00 0.00 C ATOM 1145 C LEU A 79 -11.126 -4.268 1.783 1.00 0.00 C ATOM 1146 O LEU A 79 -11.851 -4.934 1.044 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.615 -1.755 1.703 1.00 0.00 C ATOM 1148 CG LEU A 79 -12.903 -1.349 0.985 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.226 0.127 1.230 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -12.826 -1.679 -0.507 1.00 0.00 C ATOM 0 H LEU A 79 -10.497 -1.996 3.893 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.740 -3.233 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.322 -0.943 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.825 -1.858 0.959 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.725 -1.932 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.146 0.389 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.353 0.299 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.409 0.745 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.754 -1.380 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.991 -1.141 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.678 -2.751 -0.635 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.846 -4.526 2.009 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.187 -5.655 1.376 1.00 0.00 C ATOM 1164 C LEU A 80 -9.436 -6.916 2.206 1.00 0.00 C ATOM 1165 O LEU A 80 -9.777 -7.965 1.660 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.704 -5.352 1.150 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.322 -4.889 -0.257 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.838 -4.522 -0.330 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.704 -5.939 -1.303 1.00 0.00 C ATOM 0 H LEU A 80 -9.248 -3.972 2.622 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.607 -5.835 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.398 -4.583 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.130 -6.249 1.384 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.889 -3.986 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.593 -4.196 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.628 -3.715 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.235 -5.393 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.421 -5.585 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.183 -6.872 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.780 -6.109 -1.272 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.258 -6.773 3.511 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.459 -7.888 4.421 1.00 0.00 C ATOM 1183 C LYS A 81 -10.856 -8.474 4.201 1.00 0.00 C ATOM 1184 O LYS A 81 -11.005 -9.682 4.023 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.194 -7.456 5.864 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.696 -7.469 6.174 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.376 -6.577 7.375 1.00 0.00 C ATOM 1188 CE LYS A 81 -6.010 -5.907 7.212 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.654 -5.152 8.434 1.00 0.00 N ATOM 0 H LYS A 81 -8.977 -5.902 3.960 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.743 -8.683 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.594 -6.455 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.717 -8.124 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.372 -8.490 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.138 -7.126 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.148 -5.815 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.386 -7.173 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.250 -6.662 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.028 -5.235 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.724 -4.704 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.371 -4.419 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.617 -5.802 9.245 1.00 0.00 H new ATOM 1203 N SER A 82 -11.843 -7.590 4.220 1.00 0.00 N ATOM 1204 CA SER A 82 -13.222 -8.005 4.025 1.00 0.00 C ATOM 1205 C SER A 82 -13.323 -8.930 2.811 1.00 0.00 C ATOM 1206 O SER A 82 -14.012 -9.949 2.858 1.00 0.00 O ATOM 1207 CB SER A 82 -14.141 -6.794 3.848 1.00 0.00 C ATOM 1208 OG SER A 82 -15.477 -7.074 4.257 1.00 0.00 O ATOM 0 H SER A 82 -11.715 -6.589 4.367 1.00 0.00 H new ATOM 0 HA SER A 82 -13.546 -8.546 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.753 -5.956 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.139 -6.487 2.802 1.00 0.00 H new ATOM 0 HG SER A 82 -16.032 -6.276 4.130 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.628 -8.543 1.752 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.631 -9.326 0.527 1.00 0.00 C ATOM 1216 C PHE A 83 -11.508 -10.365 0.538 1.00 0.00 C ATOM 1217 O PHE A 83 -10.832 -10.564 -0.470 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.396 -8.350 -0.627 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.417 -7.214 -0.700 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.648 -7.368 -0.141 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.095 -6.048 -1.322 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.596 -6.313 -0.208 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.043 -4.993 -1.389 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.273 -5.148 -0.831 1.00 0.00 C ATOM 0 H PHE A 83 -12.059 -7.697 1.716 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.578 -9.856 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.398 -7.922 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.415 -8.903 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -14.904 -8.293 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.118 -5.925 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.573 -6.436 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.787 -4.067 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.994 -4.346 -0.882 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.344 -11.000 1.689 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.315 -12.014 1.844 1.00 0.00 C ATOM 1236 C GLY A 84 -10.723 -13.319 1.157 1.00 0.00 C ATOM 1237 O GLY A 84 -11.853 -13.779 1.311 1.00 0.00 O ATOM 0 H GLY A 84 -11.906 -10.832 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.378 -11.654 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.136 -12.197 2.904 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.780 -13.879 0.414 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.026 -15.121 -0.297 1.00 0.00 C ATOM 1243 C GLY A 85 -11.138 -14.948 -1.335 1.00 0.00 C ATOM 1244 O GLY A 85 -11.790 -15.918 -1.718 1.00 0.00 O ATOM 0 H GLY A 85 -8.843 -13.495 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.111 -15.449 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.303 -15.901 0.412 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.319 -13.706 -1.759 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.340 -13.393 -2.744 1.00 0.00 C ATOM 1250 C GLU A 86 -11.733 -12.603 -3.905 1.00 0.00 C ATOM 1251 O GLU A 86 -11.098 -11.571 -3.694 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.500 -12.627 -2.107 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.150 -13.445 -0.989 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.676 -13.360 -1.063 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.222 -12.416 -0.453 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.262 -14.241 -1.728 1.00 0.00 O ATOM 0 H GLU A 86 -10.776 -12.904 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.738 -14.329 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.138 -11.680 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.244 -12.388 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.836 -14.486 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.808 -13.080 -0.021 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.949 -13.119 -5.107 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.431 -12.474 -6.302 1.00 0.00 C ATOM 1265 C GLU A 87 -12.083 -11.103 -6.490 1.00 0.00 C ATOM 1266 O GLU A 87 -13.269 -11.012 -6.802 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.642 -13.355 -7.535 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.358 -13.458 -8.361 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.433 -14.627 -9.346 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.357 -15.779 -8.867 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.564 -14.341 -10.556 1.00 0.00 O ATOM 0 H GLU A 87 -12.475 -13.976 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.358 -12.330 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.960 -14.350 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.442 -12.942 -8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.196 -12.528 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.504 -13.591 -7.697 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.278 -10.069 -6.292 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.761 -8.706 -6.436 1.00 0.00 C ATOM 1280 C VAL A 88 -11.022 -8.026 -7.590 1.00 0.00 C ATOM 1281 O VAL A 88 -10.113 -8.610 -8.179 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.617 -7.957 -5.109 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.176 -8.782 -3.949 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.158 -7.570 -4.855 1.00 0.00 C ATOM 0 H VAL A 88 -10.295 -10.148 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.823 -8.701 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.201 -7.039 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.061 -8.226 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.233 -8.984 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.633 -9.725 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.082 -7.039 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.544 -8.470 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.807 -6.925 -5.661 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.440 -6.803 -7.879 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.829 -6.038 -8.953 1.00 0.00 C ATOM 1296 C GLU A 89 -10.261 -4.724 -8.412 1.00 0.00 C ATOM 1297 O GLU A 89 -10.998 -3.760 -8.212 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.830 -5.779 -10.080 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.308 -6.321 -11.412 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.454 -6.534 -12.404 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.452 -7.163 -11.991 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.305 -6.064 -13.553 1.00 0.00 O ATOM 0 H GLU A 89 -12.194 -6.323 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.008 -6.623 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.783 -6.250 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.016 -4.709 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.583 -5.625 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.786 -7.263 -11.246 1.00 0.00 H new ATOM 1309 N MET A 90 -8.954 -4.728 -8.190 1.00 0.00 N ATOM 1310 CA MET A 90 -8.279 -3.549 -7.676 1.00 0.00 C ATOM 1311 C MET A 90 -7.753 -2.677 -8.818 1.00 0.00 C ATOM 1312 O MET A 90 -7.209 -3.189 -9.795 1.00 0.00 O ATOM 1313 CB MET A 90 -7.113 -3.978 -6.782 1.00 0.00 C ATOM 1314 CG MET A 90 -6.399 -2.760 -6.192 1.00 0.00 C ATOM 1315 SD MET A 90 -4.664 -2.807 -6.612 1.00 0.00 S ATOM 1316 CE MET A 90 -4.260 -4.461 -6.077 1.00 0.00 C ATOM 0 H MET A 90 -8.345 -5.529 -8.357 1.00 0.00 H new ATOM 0 HA MET A 90 -8.996 -2.965 -7.099 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.482 -4.613 -5.977 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.407 -4.574 -7.360 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.849 -1.844 -6.574 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.519 -2.747 -5.109 1.00 0.00 H new ATOM 0 HE1 MET A 90 -3.228 -4.488 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.926 -4.754 -5.265 1.00 0.00 H new ATOM 0 HE3 MET A 90 -4.379 -5.152 -6.911 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.935 -1.374 -8.656 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.486 -0.426 -9.661 1.00 0.00 C ATOM 1328 C LYS A 91 -6.374 0.446 -9.074 1.00 0.00 C ATOM 1329 O LYS A 91 -6.465 0.885 -7.929 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.669 0.374 -10.210 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.230 -0.276 -11.476 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.711 -0.622 -11.305 1.00 0.00 C ATOM 1333 CE LYS A 91 -10.891 -2.097 -10.945 1.00 0.00 C ATOM 1334 NZ LYS A 91 -11.974 -2.700 -11.754 1.00 0.00 N ATOM 0 H LYS A 91 -8.387 -0.953 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.062 -0.951 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.451 0.439 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.352 1.394 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.106 0.400 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.666 -1.180 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.146 0.002 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.249 -0.401 -12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.959 -2.635 -11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.125 -2.193 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.705 -3.666 -12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.850 -2.731 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.130 -2.127 -12.608 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.350 0.669 -9.884 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.222 1.480 -9.459 1.00 0.00 C ATOM 1350 C VAL A 92 -3.872 2.478 -10.564 1.00 0.00 C ATOM 1351 O VAL A 92 -4.062 2.194 -11.745 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.047 0.580 -9.072 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.469 -0.453 -8.025 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.448 -0.101 -10.304 1.00 0.00 C ATOM 0 H VAL A 92 -5.278 0.302 -10.833 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.479 2.056 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.275 1.210 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.615 -1.080 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.826 0.059 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.267 -1.075 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.615 -0.735 -10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.210 -0.711 -10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.092 0.657 -11.002 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.366 3.627 -10.140 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.987 4.669 -11.079 1.00 0.00 C ATOM 1366 C VAL A 93 -1.555 5.120 -10.784 1.00 0.00 C ATOM 1367 O VAL A 93 -1.163 5.233 -9.624 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.998 5.816 -11.024 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.247 5.486 -11.843 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.365 6.155 -9.578 1.00 0.00 C ATOM 0 H VAL A 93 -3.210 3.859 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.004 4.287 -12.100 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.530 6.696 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.949 6.318 -11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.966 5.318 -12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.717 4.587 -11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.085 6.973 -9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.804 5.280 -9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.468 6.454 -9.035 1.00 0.00 H new ATOM 1380 N SER A 94 -0.813 5.366 -11.854 1.00 0.00 N ATOM 1381 CA SER A 94 0.567 5.801 -11.725 1.00 0.00 C ATOM 1382 C SER A 94 0.622 7.322 -11.565 1.00 0.00 C ATOM 1383 O SER A 94 -0.188 8.041 -12.148 1.00 0.00 O ATOM 1384 CB SER A 94 1.399 5.363 -12.932 1.00 0.00 C ATOM 1385 OG SER A 94 0.985 4.095 -13.434 1.00 0.00 O ATOM 0 H SER A 94 -1.142 5.272 -12.815 1.00 0.00 H new ATOM 0 HA SER A 94 0.992 5.332 -10.837 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.315 6.110 -13.721 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.451 5.315 -12.649 1.00 0.00 H new ATOM 0 HG SER A 94 1.539 3.852 -14.205 1.00 0.00 H new ATOM 1391 N LEU A 95 1.587 7.767 -10.774 1.00 0.00 N ATOM 1392 CA LEU A 95 1.759 9.189 -10.531 1.00 0.00 C ATOM 1393 C LEU A 95 2.843 9.734 -11.463 1.00 0.00 C ATOM 1394 O LEU A 95 3.934 9.173 -11.547 1.00 0.00 O ATOM 1395 CB LEU A 95 2.034 9.450 -9.049 1.00 0.00 C ATOM 1396 CG LEU A 95 2.501 10.863 -8.691 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.365 11.874 -8.859 1.00 0.00 C ATOM 1398 CD2 LEU A 95 3.101 10.903 -7.285 1.00 0.00 C ATOM 0 H LEU A 95 2.258 7.168 -10.293 1.00 0.00 H new ATOM 0 HA LEU A 95 0.840 9.728 -10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.124 9.237 -8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.791 8.742 -8.710 1.00 0.00 H new ATOM 0 HG LEU A 95 3.291 11.148 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.723 12.870 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.025 11.870 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.537 11.603 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.425 11.918 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.350 10.589 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.957 10.230 -7.235 1.00 0.00 H new ATOM 1410 N LEU A 96 2.505 10.822 -12.140 1.00 0.00 N ATOM 1411 CA LEU A 96 3.436 11.449 -13.062 1.00 0.00 C ATOM 1412 C LEU A 96 3.838 12.822 -12.520 1.00 0.00 C ATOM 1413 O LEU A 96 2.979 13.641 -12.196 1.00 0.00 O ATOM 1414 CB LEU A 96 2.845 11.493 -14.473 1.00 0.00 C ATOM 1415 CG LEU A 96 2.207 10.196 -14.974 1.00 0.00 C ATOM 1416 CD1 LEU A 96 3.125 8.999 -14.717 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.819 9.996 -14.362 1.00 0.00 C ATOM 0 H LEU A 96 1.599 11.285 -12.068 1.00 0.00 H new ATOM 0 HA LEU A 96 4.349 10.858 -13.142 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.093 12.281 -14.506 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.635 11.778 -15.168 1.00 0.00 H new ATOM 0 HG LEU A 96 2.075 10.274 -16.053 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.648 8.090 -15.082 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.071 9.147 -15.238 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.311 8.906 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.388 9.067 -14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.904 9.947 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.176 10.831 -14.638 1.00 0.00 H new