USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 856 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 13 THR OG1 : rot 180:sc= -0.0113 USER MOD Set 1.2: A 134 MET CE :methyl 168:sc= -0.747 (180deg=-1.34) USER MOD Set 2.1: A 121 MET CE :methyl -160:sc= -0.301 (180deg=-1.23) USER MOD Set 2.2: A 129 THR OG1 : rot 85:sc= 1.2 USER MOD Set 3.1: A 31 HIS : no HE2:sc= 0.77 K(o=1.6,f=-0.87) USER MOD Set 3.2: A 43 SER OG : rot 96:sc= 0.871 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 119:sc= 1.62 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 21:sc= 1.09 USER MOD Single : A 25 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.11) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.811 K(o=0.81,f=-6.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 55 SER OG : rot 180:sc= 0.016 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 96 THR OG1 : rot -170:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 101 HIS : no HE2:sc= -0.917 K(o=-0.92,f=-4!) USER MOD Single : A 107 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -149:sc= -0.708 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 130 TYR OH : rot -121:sc= 0.201 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.234 -0.991 -7.218 1.00 0.00 N ATOM 154 CA LEU A 11 13.078 -0.288 -7.752 1.00 0.00 C ATOM 155 C LEU A 11 12.057 -1.269 -8.316 1.00 0.00 C ATOM 156 O LEU A 11 12.155 -1.681 -9.472 1.00 0.00 O ATOM 157 CB LEU A 11 13.504 0.696 -8.845 1.00 0.00 C ATOM 158 CG LEU A 11 14.560 1.723 -8.434 1.00 0.00 C ATOM 159 CD1 LEU A 11 14.887 2.638 -9.601 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.088 2.535 -7.235 1.00 0.00 C ATOM 0 HA LEU A 11 12.618 0.265 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.887 0.127 -9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.620 1.230 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 11 15.465 1.188 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.640 3.364 -9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.271 2.046 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.985 3.162 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.856 3.259 -6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.168 3.061 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.902 1.867 -6.394 1.00 0.00 H new ATOM 172 N ASN A 12 11.094 -1.660 -7.494 1.00 0.00 N ATOM 173 CA ASN A 12 10.009 -2.517 -7.956 1.00 0.00 C ATOM 174 C ASN A 12 8.992 -1.670 -8.712 1.00 0.00 C ATOM 175 O ASN A 12 8.168 -0.989 -8.105 1.00 0.00 O ATOM 176 CB ASN A 12 9.328 -3.244 -6.786 1.00 0.00 C ATOM 177 CG ASN A 12 10.264 -4.173 -6.030 1.00 0.00 C ATOM 178 OD1 ASN A 12 10.470 -5.322 -6.422 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.813 -3.696 -4.921 1.00 0.00 N ATOM 0 H ASN A 12 11.040 -1.400 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 12 10.424 -3.278 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.923 -2.505 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.484 -3.820 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.429 -4.286 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.619 -2.739 -4.627 1.00 0.00 H new ATOM 186 N THR A 13 9.075 -1.688 -10.035 1.00 0.00 N ATOM 187 CA THR A 13 8.243 -0.823 -10.858 1.00 0.00 C ATOM 188 C THR A 13 7.158 -1.607 -11.594 1.00 0.00 C ATOM 189 O THR A 13 7.406 -2.692 -12.126 1.00 0.00 O ATOM 190 CB THR A 13 9.103 -0.058 -11.886 1.00 0.00 C ATOM 191 OG1 THR A 13 10.217 0.553 -11.222 1.00 0.00 O ATOM 192 CG2 THR A 13 8.286 1.013 -12.594 1.00 0.00 C ATOM 0 H THR A 13 9.709 -2.291 -10.560 1.00 0.00 H new ATOM 0 HA THR A 13 7.759 -0.116 -10.185 1.00 0.00 H new ATOM 0 HB THR A 13 9.459 -0.770 -12.631 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.763 1.037 -11.877 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.917 1.536 -13.313 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.450 0.547 -13.116 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.905 1.724 -11.861 1.00 0.00 H new ATOM 200 N VAL A 14 5.954 -1.047 -11.605 1.00 0.00 N ATOM 201 CA VAL A 14 4.847 -1.593 -12.377 1.00 0.00 C ATOM 202 C VAL A 14 5.077 -1.318 -13.862 1.00 0.00 C ATOM 203 O VAL A 14 5.304 -0.173 -14.254 1.00 0.00 O ATOM 204 CB VAL A 14 3.505 -0.963 -11.933 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.338 -1.506 -12.744 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.272 -1.190 -10.446 1.00 0.00 C ATOM 0 H VAL A 14 5.719 -0.204 -11.080 1.00 0.00 H new ATOM 0 HA VAL A 14 4.798 -2.668 -12.204 1.00 0.00 H new ATOM 0 HB VAL A 14 3.567 0.110 -12.117 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.412 -1.042 -12.405 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.492 -1.280 -13.799 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.273 -2.586 -12.610 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.323 -0.740 -10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.244 -2.260 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.082 -0.733 -9.877 1.00 0.00 H new ATOM 216 N THR A 15 5.033 -2.362 -14.678 1.00 0.00 N ATOM 217 CA THR A 15 5.300 -2.220 -16.102 1.00 0.00 C ATOM 218 C THR A 15 4.032 -1.867 -16.871 1.00 0.00 C ATOM 219 O THR A 15 4.078 -1.111 -17.846 1.00 0.00 O ATOM 220 CB THR A 15 5.930 -3.501 -16.688 1.00 0.00 C ATOM 221 OG1 THR A 15 5.274 -4.666 -16.164 1.00 0.00 O ATOM 222 CG2 THR A 15 7.418 -3.563 -16.376 1.00 0.00 C ATOM 0 H THR A 15 4.816 -3.313 -14.380 1.00 0.00 H new ATOM 0 HA THR A 15 6.013 -1.403 -16.212 1.00 0.00 H new ATOM 0 HB THR A 15 5.801 -3.476 -17.770 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.862 -5.167 -16.898 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.841 -4.474 -16.799 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.917 -2.696 -16.810 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.564 -3.563 -15.296 1.00 0.00 H new ATOM 230 N ALA A 16 2.904 -2.403 -16.422 1.00 0.00 N ATOM 231 CA ALA A 16 1.625 -2.152 -17.071 1.00 0.00 C ATOM 232 C ALA A 16 0.473 -2.560 -16.167 1.00 0.00 C ATOM 233 O ALA A 16 0.680 -3.135 -15.097 1.00 0.00 O ATOM 234 CB ALA A 16 1.544 -2.904 -18.393 1.00 0.00 C ATOM 0 H ALA A 16 2.850 -3.016 -15.609 1.00 0.00 H new ATOM 0 HA ALA A 16 1.548 -1.083 -17.268 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.582 -2.706 -18.866 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.347 -2.571 -19.051 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.645 -3.974 -18.210 1.00 0.00 H new ATOM 240 N TYR A 17 -0.739 -2.246 -16.590 1.00 0.00 N ATOM 241 CA TYR A 17 -1.932 -2.668 -15.873 1.00 0.00 C ATOM 242 C TYR A 17 -2.667 -3.718 -16.693 1.00 0.00 C ATOM 243 O TYR A 17 -3.277 -4.640 -16.152 1.00 0.00 O ATOM 244 CB TYR A 17 -2.856 -1.476 -15.600 1.00 0.00 C ATOM 245 CG TYR A 17 -2.219 -0.369 -14.785 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.214 -0.412 -13.395 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.628 0.723 -15.407 1.00 0.00 C ATOM 248 CE1 TYR A 17 -1.640 0.601 -12.652 1.00 0.00 C ATOM 249 CE2 TYR A 17 -1.051 1.739 -14.671 1.00 0.00 C ATOM 250 CZ TYR A 17 -1.059 1.673 -13.295 1.00 0.00 C ATOM 251 OH TYR A 17 -0.488 2.686 -12.560 1.00 0.00 O ATOM 0 H TYR A 17 -0.924 -1.698 -17.430 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.634 -3.092 -14.914 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.190 -1.064 -16.552 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.744 -1.831 -15.077 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.666 -1.251 -12.888 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.620 0.779 -16.486 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.646 0.553 -11.573 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.596 2.581 -15.171 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.123 3.364 -13.166 1.00 0.00 H new ATOM 261 N GLY A 18 -2.588 -3.571 -18.010 1.00 0.00 N ATOM 262 CA GLY A 18 -3.247 -4.494 -18.908 1.00 0.00 C ATOM 263 C GLY A 18 -4.749 -4.470 -18.741 1.00 0.00 C ATOM 264 O GLY A 18 -5.385 -3.433 -18.941 1.00 0.00 O ATOM 0 H GLY A 18 -2.074 -2.821 -18.473 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.992 -4.242 -19.938 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.878 -5.503 -18.726 1.00 0.00 H new ATOM 268 N ASP A 19 -5.312 -5.607 -18.358 1.00 0.00 N ATOM 269 CA ASP A 19 -6.745 -5.713 -18.136 1.00 0.00 C ATOM 270 C ASP A 19 -7.055 -6.878 -17.208 1.00 0.00 C ATOM 271 O ASP A 19 -6.933 -8.043 -17.593 1.00 0.00 O ATOM 272 CB ASP A 19 -7.485 -5.895 -19.464 1.00 0.00 C ATOM 273 CG ASP A 19 -8.991 -5.942 -19.291 1.00 0.00 C ATOM 274 OD1 ASP A 19 -9.620 -4.865 -19.228 1.00 0.00 O ATOM 275 OD2 ASP A 19 -9.557 -7.055 -19.228 1.00 0.00 O ATOM 0 H ASP A 19 -4.795 -6.471 -18.194 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.085 -4.789 -17.669 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.226 -5.076 -20.135 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.149 -6.816 -19.940 1.00 0.00 H new ATOM 280 N GLY A 20 -7.429 -6.561 -15.978 1.00 0.00 N ATOM 281 CA GLY A 20 -7.822 -7.586 -15.032 1.00 0.00 C ATOM 282 C GLY A 20 -6.663 -8.117 -14.210 1.00 0.00 C ATOM 283 O GLY A 20 -6.755 -9.201 -13.636 1.00 0.00 O ATOM 0 H GLY A 20 -7.468 -5.608 -15.616 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.579 -7.181 -14.361 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.284 -8.412 -15.572 1.00 0.00 H new ATOM 287 N TYR A 21 -5.572 -7.363 -14.154 1.00 0.00 N ATOM 288 CA TYR A 21 -4.416 -7.765 -13.364 1.00 0.00 C ATOM 289 C TYR A 21 -3.524 -6.563 -13.068 1.00 0.00 C ATOM 290 O TYR A 21 -3.796 -5.454 -13.524 1.00 0.00 O ATOM 291 CB TYR A 21 -3.614 -8.859 -14.092 1.00 0.00 C ATOM 292 CG TYR A 21 -2.891 -8.387 -15.340 1.00 0.00 C ATOM 293 CD1 TYR A 21 -1.596 -7.898 -15.259 1.00 0.00 C ATOM 294 CD2 TYR A 21 -3.494 -8.437 -16.591 1.00 0.00 C ATOM 295 CE1 TYR A 21 -0.924 -7.468 -16.381 1.00 0.00 C ATOM 296 CE2 TYR A 21 -2.822 -8.007 -17.723 1.00 0.00 C ATOM 297 CZ TYR A 21 -1.535 -7.524 -17.608 1.00 0.00 C ATOM 298 OH TYR A 21 -0.858 -7.086 -18.724 1.00 0.00 O ATOM 0 H TYR A 21 -5.464 -6.475 -14.643 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.775 -8.172 -12.419 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.882 -9.276 -13.400 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.292 -9.668 -14.365 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.105 -7.854 -14.298 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.501 -8.817 -16.682 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.083 -7.087 -16.295 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.302 -8.050 -18.689 1.00 0.00 H new ATOM 0 HH TYR A 21 0.105 -7.088 -18.544 1.00 0.00 H new ATOM 308 N ILE A 22 -2.478 -6.794 -12.288 1.00 0.00 N ATOM 309 CA ILE A 22 -1.465 -5.782 -12.018 1.00 0.00 C ATOM 310 C ILE A 22 -0.099 -6.333 -12.411 1.00 0.00 C ATOM 311 O ILE A 22 0.316 -7.379 -11.914 1.00 0.00 O ATOM 312 CB ILE A 22 -1.450 -5.376 -10.528 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.837 -4.892 -10.096 1.00 0.00 C ATOM 314 CG2 ILE A 22 -0.404 -4.295 -10.282 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.946 -4.592 -8.617 1.00 0.00 C ATOM 0 H ILE A 22 -2.307 -7.686 -11.825 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.701 -4.893 -12.603 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.187 -6.249 -9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.090 -3.994 -10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.574 -5.651 -10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.406 -4.020 -9.227 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.581 -4.673 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.638 -3.418 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.957 -4.255 -8.388 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.726 -5.494 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.234 -3.811 -8.351 1.00 0.00 H new ATOM 327 N GLU A 23 0.590 -5.648 -13.310 1.00 0.00 N ATOM 328 CA GLU A 23 1.824 -6.178 -13.873 1.00 0.00 C ATOM 329 C GLU A 23 3.049 -5.476 -13.301 1.00 0.00 C ATOM 330 O GLU A 23 3.318 -4.315 -13.612 1.00 0.00 O ATOM 331 CB GLU A 23 1.804 -6.028 -15.388 1.00 0.00 C ATOM 332 CG GLU A 23 2.860 -6.846 -16.098 1.00 0.00 C ATOM 333 CD GLU A 23 2.851 -6.610 -17.588 1.00 0.00 C ATOM 334 OE1 GLU A 23 1.907 -7.076 -18.263 1.00 0.00 O ATOM 335 OE2 GLU A 23 3.790 -5.957 -18.090 1.00 0.00 O ATOM 0 H GLU A 23 0.319 -4.731 -13.664 1.00 0.00 H new ATOM 0 HA GLU A 23 1.888 -7.233 -13.607 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.822 -6.320 -15.759 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.941 -4.977 -15.641 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.842 -6.596 -15.697 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.694 -7.904 -15.898 1.00 0.00 H new ATOM 342 N VAL A 24 3.795 -6.186 -12.474 1.00 0.00 N ATOM 343 CA VAL A 24 5.024 -5.653 -11.909 1.00 0.00 C ATOM 344 C VAL A 24 6.225 -6.369 -12.510 1.00 0.00 C ATOM 345 O VAL A 24 6.470 -7.539 -12.216 1.00 0.00 O ATOM 346 CB VAL A 24 5.053 -5.783 -10.370 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.343 -5.205 -9.801 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.844 -5.096 -9.755 1.00 0.00 C ATOM 0 H VAL A 24 3.571 -7.136 -12.177 1.00 0.00 H new ATOM 0 HA VAL A 24 5.067 -4.592 -12.154 1.00 0.00 H new ATOM 0 HB VAL A 24 5.015 -6.843 -10.117 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.340 -5.308 -8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.196 -5.743 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.417 -4.150 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.881 -5.197 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.852 -4.039 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.932 -5.558 -10.132 1.00 0.00 H new ATOM 358 N ASN A 25 6.950 -5.661 -13.371 1.00 0.00 N ATOM 359 CA ASN A 25 8.114 -6.211 -14.066 1.00 0.00 C ATOM 360 C ASN A 25 7.712 -7.443 -14.881 1.00 0.00 C ATOM 361 O ASN A 25 8.275 -8.524 -14.722 1.00 0.00 O ATOM 362 CB ASN A 25 9.235 -6.550 -13.069 1.00 0.00 C ATOM 363 CG ASN A 25 10.578 -6.787 -13.742 1.00 0.00 C ATOM 364 OD1 ASN A 25 10.935 -7.915 -14.077 1.00 0.00 O ATOM 365 ND2 ASN A 25 11.338 -5.719 -13.937 1.00 0.00 N ATOM 0 H ASN A 25 6.749 -4.690 -13.608 1.00 0.00 H new ATOM 0 HA ASN A 25 8.497 -5.456 -14.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.333 -5.736 -12.351 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.955 -7.440 -12.505 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.252 -5.817 -14.378 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.009 -4.799 -13.646 1.00 0.00 H new ATOM 372 N GLN A 26 6.696 -7.261 -15.730 1.00 0.00 N ATOM 373 CA GLN A 26 6.194 -8.309 -16.631 1.00 0.00 C ATOM 374 C GLN A 26 5.408 -9.395 -15.891 1.00 0.00 C ATOM 375 O GLN A 26 4.655 -10.147 -16.514 1.00 0.00 O ATOM 376 CB GLN A 26 7.324 -8.948 -17.446 1.00 0.00 C ATOM 377 CG GLN A 26 8.011 -7.988 -18.404 1.00 0.00 C ATOM 378 CD GLN A 26 9.021 -8.679 -19.303 1.00 0.00 C ATOM 379 OE1 GLN A 26 9.632 -9.744 -18.803 1.00 0.00 O flip ATOM 380 NE2 GLN A 26 9.253 -8.256 -20.437 1.00 0.00 N flip ATOM 0 H GLN A 26 6.194 -6.377 -15.814 1.00 0.00 H new ATOM 0 HA GLN A 26 5.509 -7.808 -17.315 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.067 -9.356 -16.761 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.920 -9.786 -18.014 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.259 -7.496 -19.021 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.514 -7.208 -17.832 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.761 -7.433 -20.785 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.937 -8.729 -21.028 1.00 0.00 H new ATOM 389 N VAL A 27 5.573 -9.486 -14.579 1.00 0.00 N ATOM 390 CA VAL A 27 4.849 -10.474 -13.791 1.00 0.00 C ATOM 391 C VAL A 27 3.392 -10.051 -13.628 1.00 0.00 C ATOM 392 O VAL A 27 3.100 -8.962 -13.132 1.00 0.00 O ATOM 393 CB VAL A 27 5.488 -10.685 -12.403 1.00 0.00 C ATOM 394 CG1 VAL A 27 4.783 -11.805 -11.651 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.976 -10.982 -12.537 1.00 0.00 C ATOM 0 H VAL A 27 6.200 -8.890 -14.039 1.00 0.00 H new ATOM 0 HA VAL A 27 4.899 -11.421 -14.329 1.00 0.00 H new ATOM 0 HB VAL A 27 5.373 -9.765 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.249 -11.937 -10.675 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.732 -11.549 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.863 -12.731 -12.220 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.409 -11.128 -11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.115 -11.886 -13.130 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.471 -10.145 -13.030 1.00 0.00 H new ATOM 405 N ARG A 28 2.487 -10.920 -14.051 1.00 0.00 N ATOM 406 CA ARG A 28 1.065 -10.609 -14.056 1.00 0.00 C ATOM 407 C ARG A 28 0.399 -11.085 -12.770 1.00 0.00 C ATOM 408 O ARG A 28 0.139 -12.278 -12.593 1.00 0.00 O ATOM 409 CB ARG A 28 0.399 -11.260 -15.268 1.00 0.00 C ATOM 410 CG ARG A 28 0.925 -10.746 -16.599 1.00 0.00 C ATOM 411 CD ARG A 28 0.542 -11.672 -17.741 1.00 0.00 C ATOM 412 NE ARG A 28 1.215 -12.967 -17.637 1.00 0.00 N ATOM 413 CZ ARG A 28 0.592 -14.145 -17.678 1.00 0.00 C ATOM 414 NH1 ARG A 28 -0.728 -14.206 -17.826 1.00 0.00 N ATOM 415 NH2 ARG A 28 1.289 -15.267 -17.571 1.00 0.00 N ATOM 0 H ARG A 28 2.714 -11.852 -14.397 1.00 0.00 H new ATOM 0 HA ARG A 28 0.946 -9.527 -14.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.549 -12.339 -15.219 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.676 -11.085 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.528 -9.749 -16.788 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.010 -10.653 -16.552 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.538 -11.822 -17.741 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.799 -11.204 -18.691 1.00 0.00 H new ATOM 0 HE ARG A 28 2.229 -12.969 -17.526 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.272 -13.347 -17.909 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.196 -15.112 -17.856 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.302 -15.229 -17.457 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.813 -16.168 -17.602 1.00 0.00 H new ATOM 429 N PHE A 29 0.136 -10.152 -11.870 1.00 0.00 N ATOM 430 CA PHE A 29 -0.519 -10.469 -10.611 1.00 0.00 C ATOM 431 C PHE A 29 -2.026 -10.282 -10.730 1.00 0.00 C ATOM 432 O PHE A 29 -2.505 -9.180 -10.983 1.00 0.00 O ATOM 433 CB PHE A 29 0.019 -9.588 -9.480 1.00 0.00 C ATOM 434 CG PHE A 29 1.470 -9.814 -9.164 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.855 -10.851 -8.329 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.446 -8.987 -9.693 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.187 -11.059 -8.029 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.780 -9.188 -9.396 1.00 0.00 C ATOM 439 CZ PHE A 29 4.150 -10.226 -8.563 1.00 0.00 C ATOM 0 H PHE A 29 0.367 -9.166 -11.988 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.305 -11.512 -10.377 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.124 -8.542 -9.749 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.570 -9.769 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.105 -11.504 -7.908 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.161 -8.175 -10.346 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.475 -11.871 -7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.532 -8.535 -9.814 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.192 -10.386 -8.329 1.00 0.00 H new ATOM 449 N SER A 30 -2.765 -11.360 -10.547 1.00 0.00 N ATOM 450 CA SER A 30 -4.220 -11.306 -10.575 1.00 0.00 C ATOM 451 C SER A 30 -4.768 -11.162 -9.157 1.00 0.00 C ATOM 452 O SER A 30 -5.935 -11.449 -8.892 1.00 0.00 O ATOM 453 CB SER A 30 -4.778 -12.569 -11.236 1.00 0.00 C ATOM 454 OG SER A 30 -4.289 -12.711 -12.560 1.00 0.00 O ATOM 0 H SER A 30 -2.382 -12.290 -10.376 1.00 0.00 H new ATOM 0 HA SER A 30 -4.531 -10.439 -11.158 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.502 -13.444 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.867 -12.525 -11.250 1.00 0.00 H new ATOM 0 HG SER A 30 -4.659 -13.526 -12.960 1.00 0.00 H new ATOM 460 N HIS A 31 -3.914 -10.700 -8.251 1.00 0.00 N ATOM 461 CA HIS A 31 -4.287 -10.538 -6.853 1.00 0.00 C ATOM 462 C HIS A 31 -3.479 -9.405 -6.228 1.00 0.00 C ATOM 463 O HIS A 31 -2.464 -8.988 -6.787 1.00 0.00 O ATOM 464 CB HIS A 31 -4.077 -11.850 -6.081 1.00 0.00 C ATOM 465 CG HIS A 31 -2.641 -12.256 -5.913 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.917 -12.912 -6.887 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.804 -12.108 -4.862 1.00 0.00 C ATOM 468 CE1 HIS A 31 -0.698 -13.151 -6.436 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.603 -12.672 -5.209 1.00 0.00 N ATOM 0 H HIS A 31 -2.953 -10.430 -8.463 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.345 -10.283 -6.798 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.530 -11.752 -5.095 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.608 -12.649 -6.598 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.267 -13.171 -7.809 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.038 -11.633 -3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.088 -13.654 -6.980 1.00 0.00 H new ATOM 478 N ALA A 32 -3.931 -8.923 -5.077 1.00 0.00 N ATOM 479 CA ALA A 32 -3.316 -7.776 -4.416 1.00 0.00 C ATOM 480 C ALA A 32 -1.885 -8.057 -3.978 1.00 0.00 C ATOM 481 O ALA A 32 -1.542 -9.180 -3.595 1.00 0.00 O ATOM 482 CB ALA A 32 -4.146 -7.359 -3.220 1.00 0.00 C ATOM 0 H ALA A 32 -4.730 -9.313 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.281 -6.966 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.679 -6.503 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.148 -7.087 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.209 -8.187 -2.514 1.00 0.00 H new ATOM 488 N ILE A 33 -1.062 -7.019 -4.025 1.00 0.00 N ATOM 489 CA ILE A 33 0.345 -7.121 -3.664 1.00 0.00 C ATOM 490 C ILE A 33 0.818 -5.855 -2.960 1.00 0.00 C ATOM 491 O ILE A 33 0.293 -4.765 -3.200 1.00 0.00 O ATOM 492 CB ILE A 33 1.238 -7.361 -4.902 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.901 -6.351 -6.005 1.00 0.00 C ATOM 494 CG2 ILE A 33 1.089 -8.793 -5.407 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.767 -6.487 -7.237 1.00 0.00 C ATOM 0 H ILE A 33 -1.350 -6.084 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 33 0.434 -7.974 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 33 2.279 -7.216 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.144 -6.473 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.007 -5.342 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.727 -8.940 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.384 -9.488 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.050 -8.975 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.471 -5.740 -7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.812 -6.335 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.643 -7.484 -7.661 1.00 0.00 H new ATOM 507 N ALA A 34 1.803 -6.009 -2.091 1.00 0.00 N ATOM 508 CA ALA A 34 2.411 -4.883 -1.403 1.00 0.00 C ATOM 509 C ALA A 34 3.923 -4.959 -1.546 1.00 0.00 C ATOM 510 O ALA A 34 4.525 -5.994 -1.260 1.00 0.00 O ATOM 511 CB ALA A 34 2.010 -4.873 0.066 1.00 0.00 C ATOM 0 H ALA A 34 2.202 -6.914 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 34 2.057 -3.956 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.475 -4.023 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.926 -4.792 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.341 -5.797 0.540 1.00 0.00 H new ATOM 517 N PHE A 35 4.539 -3.880 -2.008 1.00 0.00 N ATOM 518 CA PHE A 35 5.976 -3.878 -2.245 1.00 0.00 C ATOM 519 C PHE A 35 6.576 -2.498 -2.010 1.00 0.00 C ATOM 520 O PHE A 35 5.890 -1.478 -2.123 1.00 0.00 O ATOM 521 CB PHE A 35 6.296 -4.374 -3.665 1.00 0.00 C ATOM 522 CG PHE A 35 5.553 -3.659 -4.763 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.289 -4.076 -5.147 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.124 -2.580 -5.418 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.607 -3.428 -6.159 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.447 -1.930 -6.433 1.00 0.00 C ATOM 527 CZ PHE A 35 4.187 -2.356 -6.803 1.00 0.00 C ATOM 0 H PHE A 35 4.070 -3.000 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 35 6.430 -4.564 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.367 -4.267 -3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.068 -5.438 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.831 -4.918 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.109 -2.243 -5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.620 -3.761 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.903 -1.090 -6.936 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.656 -1.850 -7.596 1.00 0.00 H new ATOM 537 N ALA A 36 7.854 -2.487 -1.661 1.00 0.00 N ATOM 538 CA ALA A 36 8.577 -1.253 -1.401 1.00 0.00 C ATOM 539 C ALA A 36 9.985 -1.336 -1.984 1.00 0.00 C ATOM 540 O ALA A 36 10.483 -2.433 -2.239 1.00 0.00 O ATOM 541 CB ALA A 36 8.641 -0.997 0.099 1.00 0.00 C ATOM 0 H ALA A 36 8.417 -3.331 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 36 8.051 -0.426 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.184 -0.071 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.630 -0.912 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.155 -1.825 0.588 1.00 0.00 H new ATOM 547 N PRO A 37 10.638 -0.182 -2.220 1.00 0.00 N ATOM 548 CA PRO A 37 12.037 -0.141 -2.665 1.00 0.00 C ATOM 549 C PRO A 37 12.963 -0.910 -1.721 1.00 0.00 C ATOM 550 O PRO A 37 13.871 -1.622 -2.159 1.00 0.00 O ATOM 551 CB PRO A 37 12.375 1.352 -2.650 1.00 0.00 C ATOM 552 CG PRO A 37 11.063 2.041 -2.801 1.00 0.00 C ATOM 553 CD PRO A 37 10.057 1.169 -2.105 1.00 0.00 C ATOM 0 HA PRO A 37 12.170 -0.608 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.867 1.637 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 37 13.054 1.612 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.091 3.036 -2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.808 2.169 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.924 1.462 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.078 1.227 -2.580 1.00 0.00 H new ATOM 561 N GLU A 38 12.732 -0.758 -0.424 1.00 0.00 N ATOM 562 CA GLU A 38 13.470 -1.517 0.570 1.00 0.00 C ATOM 563 C GLU A 38 12.592 -2.644 1.095 1.00 0.00 C ATOM 564 O GLU A 38 11.767 -2.443 1.986 1.00 0.00 O ATOM 565 CB GLU A 38 13.927 -0.624 1.726 1.00 0.00 C ATOM 566 CG GLU A 38 14.877 -1.322 2.690 1.00 0.00 C ATOM 567 CD GLU A 38 15.222 -0.469 3.892 1.00 0.00 C ATOM 568 OE1 GLU A 38 15.850 0.592 3.714 1.00 0.00 O ATOM 569 OE2 GLU A 38 14.842 -0.843 5.024 1.00 0.00 O ATOM 0 H GLU A 38 12.040 -0.116 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 38 14.361 -1.931 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.418 0.260 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.052 -0.278 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.424 -2.254 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.793 -1.587 2.163 1.00 0.00 H new ATOM 576 N GLY A 39 12.742 -3.814 0.502 1.00 0.00 N ATOM 577 CA GLY A 39 11.952 -4.955 0.901 1.00 0.00 C ATOM 578 C GLY A 39 11.585 -5.825 -0.280 1.00 0.00 C ATOM 579 O GLY A 39 12.057 -5.586 -1.394 1.00 0.00 O ATOM 0 H GLY A 39 13.402 -3.995 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.509 -5.546 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.043 -4.613 1.396 1.00 0.00 H new ATOM 583 N PRO A 40 10.768 -6.860 -0.062 1.00 0.00 N ATOM 584 CA PRO A 40 10.312 -7.753 -1.113 1.00 0.00 C ATOM 585 C PRO A 40 8.919 -7.392 -1.633 1.00 0.00 C ATOM 586 O PRO A 40 8.312 -6.409 -1.199 1.00 0.00 O ATOM 587 CB PRO A 40 10.270 -9.087 -0.375 1.00 0.00 C ATOM 588 CG PRO A 40 9.895 -8.737 1.036 1.00 0.00 C ATOM 589 CD PRO A 40 10.238 -7.276 1.244 1.00 0.00 C ATOM 0 HA PRO A 40 10.948 -7.729 -1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.540 -9.763 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.236 -9.590 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.832 -8.910 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.437 -9.364 1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.361 -6.694 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.975 -7.145 2.037 1.00 0.00 H new ATOM 597 N VAL A 41 8.425 -8.192 -2.567 1.00 0.00 N ATOM 598 CA VAL A 41 7.051 -8.073 -3.025 1.00 0.00 C ATOM 599 C VAL A 41 6.194 -9.092 -2.285 1.00 0.00 C ATOM 600 O VAL A 41 6.343 -10.299 -2.479 1.00 0.00 O ATOM 601 CB VAL A 41 6.928 -8.305 -4.548 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.482 -8.151 -5.001 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.831 -7.351 -5.313 1.00 0.00 C ATOM 0 H VAL A 41 8.958 -8.932 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 41 6.710 -7.059 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 41 7.248 -9.325 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.418 -8.318 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.859 -8.880 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.133 -7.145 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.728 -7.532 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.546 -6.323 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.867 -7.513 -5.015 1.00 0.00 H new ATOM 613 N ALA A 42 5.321 -8.605 -1.423 1.00 0.00 N ATOM 614 CA ALA A 42 4.526 -9.476 -0.580 1.00 0.00 C ATOM 615 C ALA A 42 3.129 -9.662 -1.150 1.00 0.00 C ATOM 616 O ALA A 42 2.511 -8.712 -1.638 1.00 0.00 O ATOM 617 CB ALA A 42 4.452 -8.920 0.833 1.00 0.00 C ATOM 0 H ALA A 42 5.145 -7.609 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 42 5.011 -10.452 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.852 -9.585 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.457 -8.845 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.994 -7.931 0.811 1.00 0.00 H new ATOM 623 N SER A 43 2.644 -10.890 -1.099 1.00 0.00 N ATOM 624 CA SER A 43 1.292 -11.193 -1.526 1.00 0.00 C ATOM 625 C SER A 43 0.317 -10.799 -0.423 1.00 0.00 C ATOM 626 O SER A 43 0.395 -11.309 0.697 1.00 0.00 O ATOM 627 CB SER A 43 1.174 -12.681 -1.855 1.00 0.00 C ATOM 628 OG SER A 43 -0.112 -13.011 -2.349 1.00 0.00 O ATOM 0 H SER A 43 3.171 -11.697 -0.764 1.00 0.00 H new ATOM 0 HA SER A 43 1.051 -10.626 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.928 -12.950 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.381 -13.268 -0.961 1.00 0.00 H new ATOM 0 HG SER A 43 -0.098 -13.005 -3.329 1.00 0.00 H new ATOM 634 N TRP A 44 -0.582 -9.880 -0.727 1.00 0.00 N ATOM 635 CA TRP A 44 -1.502 -9.366 0.268 1.00 0.00 C ATOM 636 C TRP A 44 -2.841 -10.087 0.144 1.00 0.00 C ATOM 637 O TRP A 44 -3.423 -10.143 -0.938 1.00 0.00 O ATOM 638 CB TRP A 44 -1.669 -7.853 0.104 1.00 0.00 C ATOM 639 CG TRP A 44 -1.900 -7.125 1.396 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.355 -7.427 2.615 1.00 0.00 C ATOM 641 CD2 TRP A 44 -2.713 -5.963 1.599 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.793 -6.531 3.561 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.622 -5.623 2.964 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.505 -5.177 0.762 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.300 -4.533 3.505 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.178 -4.095 1.303 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.067 -3.782 2.661 1.00 0.00 C ATOM 0 H TRP A 44 -0.694 -9.475 -1.656 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.101 -9.550 1.265 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.778 -7.448 -0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.507 -7.660 -0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.680 -8.248 2.805 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.540 -6.542 4.549 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.592 -5.408 -0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.222 -4.291 4.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.799 -3.483 0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.600 -2.927 3.051 1.00 0.00 H new ATOM 658 N PRO A 45 -3.336 -10.668 1.250 1.00 0.00 N ATOM 659 CA PRO A 45 -4.568 -11.471 1.257 1.00 0.00 C ATOM 660 C PRO A 45 -5.829 -10.635 1.032 1.00 0.00 C ATOM 661 O PRO A 45 -6.917 -11.177 0.856 1.00 0.00 O ATOM 662 CB PRO A 45 -4.597 -12.089 2.663 1.00 0.00 C ATOM 663 CG PRO A 45 -3.238 -11.860 3.234 1.00 0.00 C ATOM 664 CD PRO A 45 -2.723 -10.613 2.583 1.00 0.00 C ATOM 0 HA PRO A 45 -4.562 -12.202 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.365 -11.622 3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.828 -13.153 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.284 -11.745 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.582 -12.706 3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.021 -9.718 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.634 -10.605 2.528 1.00 0.00 H new ATOM 672 N VAL A 46 -5.668 -9.322 1.018 1.00 0.00 N ATOM 673 CA VAL A 46 -6.795 -8.417 0.859 1.00 0.00 C ATOM 674 C VAL A 46 -7.093 -8.196 -0.613 1.00 0.00 C ATOM 675 O VAL A 46 -6.387 -7.458 -1.286 1.00 0.00 O ATOM 676 CB VAL A 46 -6.510 -7.056 1.523 1.00 0.00 C ATOM 677 CG1 VAL A 46 -7.713 -6.138 1.413 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.113 -7.242 2.975 1.00 0.00 C ATOM 0 H VAL A 46 -4.765 -8.858 1.115 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.657 -8.876 1.344 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.678 -6.590 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.487 -5.184 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.949 -5.972 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.568 -6.598 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.916 -6.269 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.923 -7.734 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.214 -7.856 3.031 1.00 0.00 H new ATOM 688 N GLN A 47 -8.127 -8.849 -1.120 1.00 0.00 N ATOM 689 CA GLN A 47 -8.476 -8.723 -2.532 1.00 0.00 C ATOM 690 C GLN A 47 -9.600 -7.712 -2.714 1.00 0.00 C ATOM 691 O GLN A 47 -9.952 -7.344 -3.836 1.00 0.00 O ATOM 692 CB GLN A 47 -8.896 -10.079 -3.109 1.00 0.00 C ATOM 693 CG GLN A 47 -7.967 -11.224 -2.732 1.00 0.00 C ATOM 694 CD GLN A 47 -6.512 -10.957 -3.077 1.00 0.00 C ATOM 695 OE1 GLN A 47 -6.195 -10.273 -4.050 1.00 0.00 O ATOM 696 NE2 GLN A 47 -5.614 -11.499 -2.269 1.00 0.00 N ATOM 0 H GLN A 47 -8.736 -9.467 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.595 -8.373 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.903 -10.313 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.940 -10.003 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.050 -11.413 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.294 -12.130 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.917 -12.060 -1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.619 -11.356 -2.443 1.00 0.00 H new ATOM 705 N ARG A 48 -10.163 -7.265 -1.599 1.00 0.00 N ATOM 706 CA ARG A 48 -11.291 -6.345 -1.615 1.00 0.00 C ATOM 707 C ARG A 48 -11.109 -5.282 -0.539 1.00 0.00 C ATOM 708 O ARG A 48 -10.567 -5.564 0.527 1.00 0.00 O ATOM 709 CB ARG A 48 -12.594 -7.111 -1.378 1.00 0.00 C ATOM 710 CG ARG A 48 -12.854 -8.203 -2.399 1.00 0.00 C ATOM 711 CD ARG A 48 -13.869 -9.209 -1.893 1.00 0.00 C ATOM 712 NE ARG A 48 -13.428 -9.849 -0.654 1.00 0.00 N ATOM 713 CZ ARG A 48 -13.370 -11.168 -0.474 1.00 0.00 C ATOM 714 NH1 ARG A 48 -13.612 -11.993 -1.491 1.00 0.00 N ATOM 715 NH2 ARG A 48 -13.021 -11.659 0.711 1.00 0.00 N ATOM 0 H ARG A 48 -9.852 -7.528 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.339 -5.859 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.568 -7.555 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -13.426 -6.407 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.214 -7.757 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.920 -8.714 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.823 -8.709 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.038 -9.970 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.147 -9.248 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.842 -11.616 -2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.567 -13.002 -1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.798 -11.026 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.976 -12.668 0.852 1.00 0.00 H new ATOM 729 N PRO A 49 -11.573 -4.050 -0.796 1.00 0.00 N ATOM 730 CA PRO A 49 -11.405 -2.924 0.137 1.00 0.00 C ATOM 731 C PRO A 49 -12.147 -3.120 1.460 1.00 0.00 C ATOM 732 O PRO A 49 -11.957 -2.357 2.406 1.00 0.00 O ATOM 733 CB PRO A 49 -11.997 -1.734 -0.625 1.00 0.00 C ATOM 734 CG PRO A 49 -12.913 -2.336 -1.634 1.00 0.00 C ATOM 735 CD PRO A 49 -12.287 -3.647 -2.020 1.00 0.00 C ATOM 0 HA PRO A 49 -10.359 -2.801 0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.535 -1.064 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.215 -1.144 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.910 -2.485 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.023 -1.684 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.038 -4.382 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.607 -3.536 -2.865 1.00 0.00 H new ATOM 743 N ALA A 50 -12.986 -4.144 1.522 1.00 0.00 N ATOM 744 CA ALA A 50 -13.784 -4.408 2.711 1.00 0.00 C ATOM 745 C ALA A 50 -13.110 -5.432 3.620 1.00 0.00 C ATOM 746 O ALA A 50 -13.609 -5.731 4.704 1.00 0.00 O ATOM 747 CB ALA A 50 -15.172 -4.887 2.309 1.00 0.00 C ATOM 0 H ALA A 50 -13.132 -4.807 0.761 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.874 -3.478 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.763 -5.082 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.663 -4.119 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.086 -5.803 1.724 1.00 0.00 H new ATOM 753 N ASP A 51 -11.973 -5.955 3.177 1.00 0.00 N ATOM 754 CA ASP A 51 -11.272 -7.010 3.911 1.00 0.00 C ATOM 755 C ASP A 51 -10.060 -6.454 4.654 1.00 0.00 C ATOM 756 O ASP A 51 -9.250 -7.209 5.186 1.00 0.00 O ATOM 757 CB ASP A 51 -10.815 -8.118 2.951 1.00 0.00 C ATOM 758 CG ASP A 51 -11.966 -8.881 2.317 1.00 0.00 C ATOM 759 OD1 ASP A 51 -12.618 -8.335 1.401 1.00 0.00 O ATOM 760 OD2 ASP A 51 -12.206 -10.042 2.710 1.00 0.00 O ATOM 0 H ASP A 51 -11.514 -5.668 2.313 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.970 -7.424 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.204 -7.677 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.179 -8.818 3.493 1.00 0.00 H new ATOM 765 N ILE A 52 -9.939 -5.134 4.702 1.00 0.00 N ATOM 766 CA ILE A 52 -8.764 -4.500 5.293 1.00 0.00 C ATOM 767 C ILE A 52 -8.903 -4.361 6.811 1.00 0.00 C ATOM 768 O ILE A 52 -9.890 -3.816 7.305 1.00 0.00 O ATOM 769 CB ILE A 52 -8.514 -3.103 4.685 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.419 -3.192 3.158 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.247 -2.487 5.262 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.246 -1.850 2.477 1.00 0.00 C ATOM 0 H ILE A 52 -10.636 -4.482 4.341 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.917 -5.148 5.070 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.356 -2.461 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.580 -3.835 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.320 -3.670 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.088 -1.503 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.350 -2.388 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.395 -3.128 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.187 -1.994 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.097 -1.211 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.330 -1.378 2.831 1.00 0.00 H new ATOM 784 N THR A 53 -7.911 -4.862 7.540 1.00 0.00 N ATOM 785 CA THR A 53 -7.862 -4.702 8.986 1.00 0.00 C ATOM 786 C THR A 53 -6.503 -4.152 9.415 1.00 0.00 C ATOM 787 O THR A 53 -5.553 -4.147 8.626 1.00 0.00 O ATOM 788 CB THR A 53 -8.122 -6.034 9.720 1.00 0.00 C ATOM 789 OG1 THR A 53 -7.255 -7.053 9.210 1.00 0.00 O ATOM 790 CG2 THR A 53 -9.570 -6.474 9.568 1.00 0.00 C ATOM 0 H THR A 53 -7.127 -5.385 7.149 1.00 0.00 H new ATOM 0 HA THR A 53 -8.650 -3.999 9.257 1.00 0.00 H new ATOM 0 HB THR A 53 -7.920 -5.877 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.426 -7.894 9.683 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.722 -7.415 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.228 -5.713 9.988 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.800 -6.610 8.511 1.00 0.00 H new ATOM 798 N ALA A 54 -6.414 -3.701 10.662 1.00 0.00 N ATOM 799 CA ALA A 54 -5.179 -3.141 11.202 1.00 0.00 C ATOM 800 C ALA A 54 -4.039 -4.154 11.155 1.00 0.00 C ATOM 801 O ALA A 54 -2.898 -3.805 10.849 1.00 0.00 O ATOM 802 CB ALA A 54 -5.401 -2.664 12.629 1.00 0.00 C ATOM 0 H ALA A 54 -7.190 -3.713 11.324 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.896 -2.292 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.473 -2.248 13.022 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.176 -1.897 12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.713 -3.504 13.249 1.00 0.00 H new ATOM 808 N SER A 55 -4.359 -5.408 11.449 1.00 0.00 N ATOM 809 CA SER A 55 -3.370 -6.479 11.448 1.00 0.00 C ATOM 810 C SER A 55 -2.737 -6.634 10.065 1.00 0.00 C ATOM 811 O SER A 55 -1.523 -6.814 9.933 1.00 0.00 O ATOM 812 CB SER A 55 -4.043 -7.784 11.869 1.00 0.00 C ATOM 813 OG SER A 55 -4.888 -7.572 12.987 1.00 0.00 O ATOM 0 H SER A 55 -5.302 -5.710 11.693 1.00 0.00 H new ATOM 0 HA SER A 55 -2.578 -6.231 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.624 -8.184 11.038 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.285 -8.527 12.115 1.00 0.00 H new ATOM 0 HG SER A 55 -5.312 -8.418 13.242 1.00 0.00 H new ATOM 819 N LEU A 56 -3.567 -6.530 9.035 1.00 0.00 N ATOM 820 CA LEU A 56 -3.113 -6.701 7.663 1.00 0.00 C ATOM 821 C LEU A 56 -2.278 -5.507 7.218 1.00 0.00 C ATOM 822 O LEU A 56 -1.385 -5.640 6.377 1.00 0.00 O ATOM 823 CB LEU A 56 -4.315 -6.892 6.739 1.00 0.00 C ATOM 824 CG LEU A 56 -5.217 -8.071 7.106 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.465 -8.077 6.245 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.467 -9.387 6.959 1.00 0.00 C ATOM 0 H LEU A 56 -4.562 -6.327 9.126 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.483 -7.589 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.911 -5.979 6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.955 -7.030 5.719 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.516 -7.958 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.094 -8.923 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.017 -7.150 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.183 -8.162 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.126 -10.213 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.136 -9.504 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.600 -9.388 7.620 1.00 0.00 H new ATOM 838 N LEU A 57 -2.563 -4.344 7.793 1.00 0.00 N ATOM 839 CA LEU A 57 -1.794 -3.139 7.510 1.00 0.00 C ATOM 840 C LEU A 57 -0.384 -3.268 8.075 1.00 0.00 C ATOM 841 O LEU A 57 0.586 -2.829 7.458 1.00 0.00 O ATOM 842 CB LEU A 57 -2.485 -1.907 8.099 1.00 0.00 C ATOM 843 CG LEU A 57 -3.846 -1.570 7.487 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.466 -0.375 8.195 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.707 -1.291 5.997 1.00 0.00 C ATOM 0 H LEU A 57 -3.323 -4.211 8.460 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.732 -3.018 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.614 -2.060 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.826 -1.047 7.977 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.504 -2.429 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.434 -0.149 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.600 -0.607 9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.809 0.489 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.685 -1.053 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.033 -0.448 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.303 -2.172 5.498 1.00 0.00 H new ATOM 857 N GLN A 58 -0.279 -3.886 9.247 1.00 0.00 N ATOM 858 CA GLN A 58 1.015 -4.135 9.872 1.00 0.00 C ATOM 859 C GLN A 58 1.858 -5.052 8.992 1.00 0.00 C ATOM 860 O GLN A 58 3.067 -4.861 8.849 1.00 0.00 O ATOM 861 CB GLN A 58 0.830 -4.768 11.252 1.00 0.00 C ATOM 862 CG GLN A 58 0.055 -3.896 12.227 1.00 0.00 C ATOM 863 CD GLN A 58 -0.208 -4.593 13.549 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.333 -5.814 13.607 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.298 -3.820 14.619 1.00 0.00 N ATOM 0 H GLN A 58 -1.077 -4.224 9.784 1.00 0.00 H new ATOM 0 HA GLN A 58 1.529 -3.181 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.311 -5.720 11.138 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.810 -4.988 11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.612 -2.977 12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.895 -3.609 11.776 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.188 -2.810 14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.477 -4.234 15.534 1.00 0.00 H new ATOM 874 N GLN A 59 1.203 -6.045 8.399 1.00 0.00 N ATOM 875 CA GLN A 59 1.872 -6.967 7.489 1.00 0.00 C ATOM 876 C GLN A 59 2.332 -6.238 6.229 1.00 0.00 C ATOM 877 O GLN A 59 3.442 -6.456 5.745 1.00 0.00 O ATOM 878 CB GLN A 59 0.936 -8.116 7.106 1.00 0.00 C ATOM 879 CG GLN A 59 0.407 -8.896 8.298 1.00 0.00 C ATOM 880 CD GLN A 59 -0.515 -10.030 7.890 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.187 -9.963 6.863 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.555 -11.075 8.699 1.00 0.00 N ATOM 0 H GLN A 59 0.209 -6.232 8.533 1.00 0.00 H new ATOM 0 HA GLN A 59 2.744 -7.374 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.094 -7.714 6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.466 -8.799 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.246 -9.300 8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.129 -8.218 8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.019 -11.090 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.160 -11.866 8.480 1.00 0.00 H new ATOM 891 N ALA A 60 1.475 -5.356 5.721 1.00 0.00 N ATOM 892 CA ALA A 60 1.763 -4.605 4.501 1.00 0.00 C ATOM 893 C ALA A 60 2.899 -3.610 4.711 1.00 0.00 C ATOM 894 O ALA A 60 3.527 -3.161 3.756 1.00 0.00 O ATOM 895 CB ALA A 60 0.514 -3.881 4.021 1.00 0.00 C ATOM 0 H ALA A 60 0.569 -5.143 6.138 1.00 0.00 H new ATOM 0 HA ALA A 60 2.079 -5.317 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.742 -3.325 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.271 -4.608 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.175 -3.190 4.793 1.00 0.00 H new ATOM 901 N ALA A 61 3.157 -3.267 5.968 1.00 0.00 N ATOM 902 CA ALA A 61 4.234 -2.346 6.303 1.00 0.00 C ATOM 903 C ALA A 61 5.593 -3.039 6.223 1.00 0.00 C ATOM 904 O ALA A 61 6.634 -2.395 6.342 1.00 0.00 O ATOM 905 CB ALA A 61 4.017 -1.762 7.691 1.00 0.00 C ATOM 0 H ALA A 61 2.634 -3.614 6.772 1.00 0.00 H new ATOM 0 HA ALA A 61 4.225 -1.535 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.830 -1.075 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.069 -1.224 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.997 -2.567 8.425 1.00 0.00 H new ATOM 911 N GLY A 62 5.572 -4.354 6.025 1.00 0.00 N ATOM 912 CA GLY A 62 6.803 -5.109 5.899 1.00 0.00 C ATOM 913 C GLY A 62 7.415 -5.448 7.243 1.00 0.00 C ATOM 914 O GLY A 62 8.575 -5.846 7.325 1.00 0.00 O ATOM 0 H GLY A 62 4.720 -4.910 5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.606 -6.030 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.519 -4.535 5.312 1.00 0.00 H new ATOM 918 N LEU A 63 6.625 -5.304 8.297 1.00 0.00 N ATOM 919 CA LEU A 63 7.104 -5.549 9.652 1.00 0.00 C ATOM 920 C LEU A 63 6.725 -6.951 10.116 1.00 0.00 C ATOM 921 O LEU A 63 6.754 -7.255 11.311 1.00 0.00 O ATOM 922 CB LEU A 63 6.524 -4.503 10.607 1.00 0.00 C ATOM 923 CG LEU A 63 6.888 -3.052 10.282 1.00 0.00 C ATOM 924 CD1 LEU A 63 6.176 -2.101 11.227 1.00 0.00 C ATOM 925 CD2 LEU A 63 8.395 -2.849 10.359 1.00 0.00 C ATOM 0 H LEU A 63 5.647 -5.018 8.241 1.00 0.00 H new ATOM 0 HA LEU A 63 8.191 -5.472 9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.438 -4.597 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.864 -4.729 11.618 1.00 0.00 H new ATOM 0 HG LEU A 63 6.563 -2.836 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.446 -1.074 10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.098 -2.227 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.472 -2.319 12.253 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.635 -1.812 10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.743 -3.084 11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.888 -3.506 9.642 1.00 0.00 H new ATOM 1274 N ALA A 88 11.192 1.226 9.858 1.00 0.00 N ATOM 1275 CA ALA A 88 9.801 1.511 9.539 1.00 0.00 C ATOM 1276 C ALA A 88 9.693 2.458 8.343 1.00 0.00 C ATOM 1277 O ALA A 88 10.530 3.349 8.163 1.00 0.00 O ATOM 1278 CB ALA A 88 9.097 2.100 10.752 1.00 0.00 C ATOM 0 HA ALA A 88 9.313 0.575 9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.057 2.310 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.136 1.388 11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.593 3.025 11.047 1.00 0.00 H new ATOM 1284 N PRO A 89 8.680 2.251 7.488 1.00 0.00 N ATOM 1285 CA PRO A 89 8.438 3.113 6.330 1.00 0.00 C ATOM 1286 C PRO A 89 7.945 4.499 6.730 1.00 0.00 C ATOM 1287 O PRO A 89 7.520 4.716 7.866 1.00 0.00 O ATOM 1288 CB PRO A 89 7.356 2.366 5.546 1.00 0.00 C ATOM 1289 CG PRO A 89 6.657 1.527 6.559 1.00 0.00 C ATOM 1290 CD PRO A 89 7.698 1.153 7.577 1.00 0.00 C ATOM 0 HA PRO A 89 9.350 3.290 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.667 3.060 5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.792 1.752 4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.838 2.077 7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.225 0.639 6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.272 1.077 8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.153 0.189 7.350 1.00 0.00 H new ATOM 1298 N GLU A 90 8.004 5.430 5.792 1.00 0.00 N ATOM 1299 CA GLU A 90 7.559 6.792 6.038 1.00 0.00 C ATOM 1300 C GLU A 90 6.100 6.952 5.644 1.00 0.00 C ATOM 1301 O GLU A 90 5.309 7.561 6.364 1.00 0.00 O ATOM 1302 CB GLU A 90 8.413 7.781 5.249 1.00 0.00 C ATOM 1303 CG GLU A 90 9.883 7.766 5.629 1.00 0.00 C ATOM 1304 CD GLU A 90 10.722 8.617 4.702 1.00 0.00 C ATOM 1305 OE1 GLU A 90 10.583 9.858 4.745 1.00 0.00 O ATOM 1306 OE2 GLU A 90 11.499 8.047 3.911 1.00 0.00 O ATOM 0 H GLU A 90 8.357 5.266 4.849 1.00 0.00 H new ATOM 0 HA GLU A 90 7.665 6.999 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.321 7.558 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.019 8.786 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.996 8.126 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.251 6.740 5.610 1.00 0.00 H new ATOM 1313 N VAL A 91 5.747 6.406 4.489 1.00 0.00 N ATOM 1314 CA VAL A 91 4.394 6.536 3.978 1.00 0.00 C ATOM 1315 C VAL A 91 3.914 5.227 3.356 1.00 0.00 C ATOM 1316 O VAL A 91 4.661 4.543 2.646 1.00 0.00 O ATOM 1317 CB VAL A 91 4.292 7.697 2.954 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.264 7.500 1.802 1.00 0.00 C ATOM 1319 CG2 VAL A 91 2.869 7.851 2.436 1.00 0.00 C ATOM 0 H VAL A 91 6.377 5.871 3.892 1.00 0.00 H new ATOM 0 HA VAL A 91 3.744 6.770 4.821 1.00 0.00 H new ATOM 0 HB VAL A 91 4.564 8.616 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.170 8.329 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.283 7.465 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.037 6.564 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.829 8.672 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.558 6.928 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.199 8.063 3.269 1.00 0.00 H new ATOM 1329 N LEU A 92 2.673 4.873 3.655 1.00 0.00 N ATOM 1330 CA LEU A 92 2.051 3.677 3.114 1.00 0.00 C ATOM 1331 C LEU A 92 0.913 4.071 2.185 1.00 0.00 C ATOM 1332 O LEU A 92 -0.100 4.616 2.625 1.00 0.00 O ATOM 1333 CB LEU A 92 1.526 2.790 4.249 1.00 0.00 C ATOM 1334 CG LEU A 92 0.805 1.510 3.808 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.748 0.594 3.044 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.221 0.789 5.014 1.00 0.00 C ATOM 0 H LEU A 92 2.070 5.408 4.280 1.00 0.00 H new ATOM 0 HA LEU A 92 2.794 3.112 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.365 2.512 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.842 3.379 4.860 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.011 1.789 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.214 -0.307 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.119 1.110 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.588 0.321 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.287 -0.117 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.023 0.525 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.491 1.442 5.518 1.00 0.00 H new ATOM 1348 N LEU A 93 1.091 3.813 0.902 1.00 0.00 N ATOM 1349 CA LEU A 93 0.092 4.161 -0.093 1.00 0.00 C ATOM 1350 C LEU A 93 -0.797 2.964 -0.393 1.00 0.00 C ATOM 1351 O LEU A 93 -0.363 1.992 -1.014 1.00 0.00 O ATOM 1352 CB LEU A 93 0.761 4.656 -1.377 1.00 0.00 C ATOM 1353 CG LEU A 93 1.603 5.925 -1.225 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.263 6.285 -2.544 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.748 7.080 -0.728 1.00 0.00 C ATOM 0 H LEU A 93 1.923 3.361 0.523 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.526 4.964 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.397 3.861 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.012 4.839 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 93 2.382 5.732 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.858 7.190 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.909 5.467 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.496 6.457 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.365 7.972 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.054 7.272 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.318 6.824 0.241 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.035 3.032 0.061 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.973 1.945 -0.140 1.00 0.00 C ATOM 1369 C VAL A 94 -3.908 2.253 -1.303 1.00 0.00 C ATOM 1370 O VAL A 94 -4.791 3.108 -1.196 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.810 1.669 1.129 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.729 0.474 0.919 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.903 1.444 2.332 1.00 0.00 C ATOM 0 H VAL A 94 -2.414 3.830 0.572 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.387 1.054 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.429 2.544 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.309 0.297 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.405 0.677 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.132 -0.409 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.512 1.251 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.255 0.588 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.293 2.332 2.498 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.690 1.574 -2.418 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.592 1.685 -3.539 1.00 0.00 C ATOM 1385 C GLY A 95 -5.835 0.869 -3.288 1.00 0.00 C ATOM 1386 O GLY A 95 -5.836 -0.341 -3.492 1.00 0.00 O ATOM 0 H GLY A 95 -2.900 0.946 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.860 2.730 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.099 1.340 -4.448 1.00 0.00 H new ATOM 1390 N THR A 96 -6.889 1.536 -2.842 1.00 0.00 N ATOM 1391 CA THR A 96 -8.093 0.870 -2.363 1.00 0.00 C ATOM 1392 C THR A 96 -8.821 0.117 -3.483 1.00 0.00 C ATOM 1393 O THR A 96 -9.687 -0.724 -3.223 1.00 0.00 O ATOM 1394 CB THR A 96 -9.044 1.898 -1.717 1.00 0.00 C ATOM 1395 OG1 THR A 96 -8.295 2.796 -0.885 1.00 0.00 O ATOM 1396 CG2 THR A 96 -10.103 1.211 -0.875 1.00 0.00 C ATOM 0 H THR A 96 -6.935 2.554 -2.802 1.00 0.00 H new ATOM 0 HA THR A 96 -7.785 0.135 -1.619 1.00 0.00 H new ATOM 0 HB THR A 96 -9.537 2.450 -2.517 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.912 3.344 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.759 1.961 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.690 0.541 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.622 0.637 -0.083 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.461 0.412 -4.725 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.072 -0.255 -5.857 1.00 0.00 C ATOM 1406 C GLY A 97 -10.450 0.288 -6.157 1.00 0.00 C ATOM 1407 O GLY A 97 -10.639 1.019 -7.129 1.00 0.00 O ATOM 0 H GLY A 97 -7.753 1.105 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.436 -0.136 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.139 -1.324 -5.655 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.409 -0.047 -5.308 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.780 0.398 -5.489 1.00 0.00 C ATOM 1413 C ARG A 98 -12.969 1.778 -4.867 1.00 0.00 C ATOM 1414 O ARG A 98 -13.605 1.924 -3.819 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.756 -0.621 -4.891 1.00 0.00 C ATOM 1416 CG ARG A 98 -15.224 -0.283 -5.111 1.00 0.00 C ATOM 1417 CD ARG A 98 -16.111 -1.480 -4.810 1.00 0.00 C ATOM 1418 NE ARG A 98 -15.883 -2.567 -5.762 1.00 0.00 N ATOM 1419 CZ ARG A 98 -16.172 -3.847 -5.534 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -16.667 -4.229 -4.364 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -15.959 -4.753 -6.479 1.00 0.00 N ATOM 0 H ARG A 98 -11.261 -0.629 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.992 0.475 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.552 -1.600 -5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.570 -0.701 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.508 0.554 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.376 0.037 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.916 -1.834 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -17.157 -1.177 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.473 -2.328 -6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.829 -3.540 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.885 -5.212 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.574 -4.469 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.180 -5.733 -6.305 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.361 2.772 -5.512 1.00 0.00 N ATOM 1436 CA ARG A 99 -12.453 4.177 -5.114 1.00 0.00 C ATOM 1437 C ARG A 99 -11.787 4.454 -3.764 1.00 0.00 C ATOM 1438 O ARG A 99 -11.647 3.568 -2.912 1.00 0.00 O ATOM 1439 CB ARG A 99 -13.911 4.647 -5.115 1.00 0.00 C ATOM 1440 CG ARG A 99 -14.526 4.649 -6.504 1.00 0.00 C ATOM 1441 CD ARG A 99 -15.962 5.143 -6.490 1.00 0.00 C ATOM 1442 NE ARG A 99 -16.528 5.189 -7.840 1.00 0.00 N ATOM 1443 CZ ARG A 99 -17.679 5.784 -8.149 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -18.381 6.404 -7.213 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -18.119 5.765 -9.402 1.00 0.00 N ATOM 0 H ARG A 99 -11.782 2.623 -6.338 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.900 4.753 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.498 3.999 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.965 5.652 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.931 5.282 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.494 3.640 -6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.567 4.488 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.001 6.137 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.008 4.737 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.041 6.427 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.262 6.859 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.576 5.295 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.000 6.220 -9.640 1.00 0.00 H new ATOM 1459 N GLN A 100 -11.366 5.699 -3.590 1.00 0.00 N ATOM 1460 CA GLN A 100 -10.680 6.132 -2.382 1.00 0.00 C ATOM 1461 C GLN A 100 -11.584 5.989 -1.163 1.00 0.00 C ATOM 1462 O GLN A 100 -12.726 6.449 -1.162 1.00 0.00 O ATOM 1463 CB GLN A 100 -10.224 7.585 -2.537 1.00 0.00 C ATOM 1464 CG GLN A 100 -9.499 8.134 -1.320 1.00 0.00 C ATOM 1465 CD GLN A 100 -8.949 9.527 -1.550 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -8.603 9.895 -2.673 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -8.851 10.307 -0.486 1.00 0.00 N ATOM 0 H GLN A 100 -11.491 6.437 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.807 5.497 -2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.567 7.659 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.094 8.209 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.183 8.153 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.681 7.463 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.149 9.964 0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.478 11.252 -0.579 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.073 5.339 -0.130 1.00 0.00 N ATOM 1477 CA HIS A 101 -11.840 5.129 1.088 1.00 0.00 C ATOM 1478 C HIS A 101 -11.249 5.902 2.252 1.00 0.00 C ATOM 1479 O HIS A 101 -10.033 5.949 2.429 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.912 3.641 1.436 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.048 2.932 0.773 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -13.057 2.610 -0.563 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.224 2.494 1.272 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -14.191 2.005 -0.858 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -14.920 1.921 0.239 1.00 0.00 N ATOM 0 H HIS A 101 -10.131 4.948 -0.110 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.849 5.499 0.905 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.976 3.162 1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.006 3.532 2.516 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -12.305 2.808 -1.223 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -14.555 2.579 2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.475 1.640 -1.834 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.120 6.505 3.041 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.701 7.224 4.227 1.00 0.00 C ATOM 1496 C LEU A 102 -11.650 6.260 5.398 1.00 0.00 C ATOM 1497 O LEU A 102 -12.675 5.942 6.002 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.648 8.393 4.539 1.00 0.00 C ATOM 1499 CG LEU A 102 -12.638 9.556 3.533 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -11.216 10.016 3.251 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -13.349 9.174 2.242 1.00 0.00 C ATOM 0 H LEU A 102 -13.127 6.510 2.879 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.711 7.645 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.664 8.004 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.394 8.788 5.523 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.183 10.388 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.235 10.839 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.751 10.351 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.641 9.188 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.325 10.016 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.847 8.319 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.384 8.913 2.460 1.00 0.00 H new ATOM 1513 N LEU A 103 -10.459 5.759 5.681 1.00 0.00 N ATOM 1514 CA LEU A 103 -10.274 4.791 6.750 1.00 0.00 C ATOM 1515 C LEU A 103 -10.313 5.487 8.108 1.00 0.00 C ATOM 1516 O LEU A 103 -10.280 6.720 8.185 1.00 0.00 O ATOM 1517 CB LEU A 103 -8.948 4.044 6.565 1.00 0.00 C ATOM 1518 CG LEU A 103 -8.702 3.480 5.158 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -7.408 2.681 5.125 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -9.874 2.621 4.695 1.00 0.00 C ATOM 0 H LEU A 103 -9.604 6.007 5.184 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.087 4.066 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.131 4.721 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.911 3.222 7.280 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.611 4.320 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.248 2.288 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.574 3.327 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.473 1.854 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.671 2.236 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.009 1.788 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.781 3.225 4.673 1.00 0.00 H new ATOM 1532 N GLY A 104 -10.347 4.701 9.174 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.486 5.264 10.500 1.00 0.00 C ATOM 1534 C GLY A 104 -9.193 5.220 11.283 1.00 0.00 C ATOM 1535 O GLY A 104 -8.424 4.261 11.165 1.00 0.00 O ATOM 0 H GLY A 104 -10.281 3.684 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.824 6.297 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.256 4.718 11.045 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.939 6.254 12.103 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.672 6.421 12.826 1.00 0.00 C ATOM 1541 C PRO A 105 -7.311 5.222 13.694 1.00 0.00 C ATOM 1542 O PRO A 105 -6.144 4.857 13.794 1.00 0.00 O ATOM 1543 CB PRO A 105 -7.914 7.654 13.705 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.010 8.398 13.027 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.880 7.356 12.389 1.00 0.00 C ATOM 0 HA PRO A 105 -6.837 6.524 12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.198 7.368 14.718 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.014 8.264 13.787 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.576 8.996 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.612 9.085 12.280 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.681 7.038 13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.352 7.728 11.480 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.314 4.598 14.299 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.078 3.513 15.245 1.00 0.00 C ATOM 1555 C GLU A 106 -7.417 2.306 14.584 1.00 0.00 C ATOM 1556 O GLU A 106 -6.666 1.576 15.228 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.384 3.099 15.922 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.000 4.207 16.760 1.00 0.00 C ATOM 1559 CD GLU A 106 -9.031 4.764 17.785 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -8.288 5.710 17.450 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -9.015 4.266 18.933 1.00 0.00 O ATOM 0 H GLU A 106 -9.298 4.824 14.152 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.388 3.889 16.000 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.099 2.788 15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.198 2.232 16.557 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.334 5.012 16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.884 3.824 17.270 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.667 2.109 13.296 1.00 0.00 N ATOM 1569 CA GLN A 107 -7.097 0.966 12.594 1.00 0.00 C ATOM 1570 C GLN A 107 -5.722 1.294 12.023 1.00 0.00 C ATOM 1571 O GLN A 107 -5.003 0.407 11.567 1.00 0.00 O ATOM 1572 CB GLN A 107 -8.037 0.478 11.488 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.323 -0.132 12.022 1.00 0.00 C ATOM 1574 CD GLN A 107 -10.148 -0.826 10.955 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -10.844 -1.801 11.235 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.082 -0.333 9.728 1.00 0.00 N ATOM 0 H GLN A 107 -8.252 2.716 12.722 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.975 0.162 13.320 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.283 1.314 10.834 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.517 -0.261 10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.078 -0.849 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.924 0.652 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.493 0.477 9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.620 -0.763 8.976 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.349 2.564 12.059 1.00 0.00 N ATOM 1586 CA VAL A 108 -4.041 2.975 11.569 1.00 0.00 C ATOM 1587 C VAL A 108 -3.182 3.525 12.705 1.00 0.00 C ATOM 1588 O VAL A 108 -2.061 3.986 12.482 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.150 4.023 10.435 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.841 3.425 9.220 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.890 5.265 10.904 1.00 0.00 C ATOM 0 H VAL A 108 -5.928 3.323 12.419 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.563 2.086 11.159 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.139 4.317 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.909 4.176 8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.267 2.572 8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.843 3.098 9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.951 5.983 10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.896 4.991 11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.355 5.713 11.741 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.709 3.440 13.928 1.00 0.00 N ATOM 1602 CA ARG A 109 -3.011 3.915 15.119 1.00 0.00 C ATOM 1603 C ARG A 109 -1.605 3.316 15.247 1.00 0.00 C ATOM 1604 O ARG A 109 -0.640 4.064 15.405 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.820 3.601 16.380 1.00 0.00 C ATOM 1606 CG ARG A 109 -5.047 4.472 16.573 1.00 0.00 C ATOM 1607 CD ARG A 109 -4.675 5.934 16.745 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.846 6.773 16.999 1.00 0.00 N ATOM 1609 CZ ARG A 109 -5.808 8.104 17.057 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -4.661 8.751 16.892 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -6.917 8.796 17.285 1.00 0.00 N ATOM 0 H ARG A 109 -4.628 3.041 14.118 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.906 4.995 15.012 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.133 2.557 16.345 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.172 3.711 17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -5.709 4.363 15.714 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.601 4.132 17.448 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.972 6.034 17.572 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.165 6.286 15.848 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.745 6.312 17.140 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.802 8.229 16.720 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.639 9.770 16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.804 8.309 17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.883 9.814 17.328 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.457 1.967 15.189 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.146 1.318 15.322 1.00 0.00 C ATOM 1627 C PRO A 110 0.889 1.874 14.348 1.00 0.00 C ATOM 1628 O PRO A 110 2.047 2.072 14.707 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.434 -0.150 15.002 1.00 0.00 C ATOM 1630 CG PRO A 110 -1.869 -0.334 15.342 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.537 0.969 15.013 1.00 0.00 C ATOM 0 HA PRO A 110 0.279 1.480 16.313 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.244 -0.371 13.952 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.201 -0.815 15.588 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.305 -1.153 14.769 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.993 -0.582 16.396 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.926 0.974 13.995 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.378 1.167 15.677 1.00 0.00 H new ATOM 1639 N LEU A 111 0.460 2.148 13.122 1.00 0.00 N ATOM 1640 CA LEU A 111 1.367 2.632 12.092 1.00 0.00 C ATOM 1641 C LEU A 111 1.656 4.119 12.272 1.00 0.00 C ATOM 1642 O LEU A 111 2.803 4.549 12.153 1.00 0.00 O ATOM 1643 CB LEU A 111 0.795 2.357 10.700 1.00 0.00 C ATOM 1644 CG LEU A 111 0.620 0.873 10.361 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.060 0.709 8.960 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.945 0.134 10.492 1.00 0.00 C ATOM 0 H LEU A 111 -0.508 2.043 12.819 1.00 0.00 H new ATOM 0 HA LEU A 111 2.309 2.093 12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.173 2.851 10.616 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.451 2.811 9.957 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.088 0.442 11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.057 -0.351 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.910 1.203 8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.744 1.158 8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.800 -0.918 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.673 0.569 9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.311 0.222 11.515 1.00 0.00 H new ATOM 1658 N LEU A 112 0.623 4.897 12.586 1.00 0.00 N ATOM 1659 CA LEU A 112 0.794 6.328 12.824 1.00 0.00 C ATOM 1660 C LEU A 112 1.739 6.568 13.995 1.00 0.00 C ATOM 1661 O LEU A 112 2.547 7.498 13.975 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.550 7.006 13.104 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.526 7.054 11.927 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.802 7.775 12.330 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.885 7.738 10.728 1.00 0.00 C ATOM 0 H LEU A 112 -0.336 4.563 12.681 1.00 0.00 H new ATOM 0 HA LEU A 112 1.223 6.762 11.921 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.033 6.487 13.932 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.359 8.027 13.436 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.778 6.032 11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.488 7.802 11.483 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.271 7.247 13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.563 8.794 12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.594 7.763 9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.606 8.757 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.005 7.185 10.427 1.00 0.00 H new ATOM 1677 N ALA A 113 1.644 5.711 15.004 1.00 0.00 N ATOM 1678 CA ALA A 113 2.503 5.802 16.178 1.00 0.00 C ATOM 1679 C ALA A 113 3.964 5.562 15.810 1.00 0.00 C ATOM 1680 O ALA A 113 4.871 6.101 16.441 1.00 0.00 O ATOM 1681 CB ALA A 113 2.054 4.806 17.239 1.00 0.00 C ATOM 0 H ALA A 113 0.976 4.940 15.032 1.00 0.00 H new ATOM 0 HA ALA A 113 2.418 6.811 16.582 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.704 4.885 18.110 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.027 5.024 17.532 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.109 3.795 16.835 1.00 0.00 H new ATOM 1687 N MET A 114 4.183 4.759 14.776 1.00 0.00 N ATOM 1688 CA MET A 114 5.531 4.459 14.306 1.00 0.00 C ATOM 1689 C MET A 114 6.026 5.556 13.371 1.00 0.00 C ATOM 1690 O MET A 114 7.220 5.654 13.090 1.00 0.00 O ATOM 1691 CB MET A 114 5.555 3.111 13.583 1.00 0.00 C ATOM 1692 CG MET A 114 5.147 1.938 14.459 1.00 0.00 C ATOM 1693 SD MET A 114 5.069 0.386 13.546 1.00 0.00 S ATOM 1694 CE MET A 114 4.488 -0.726 14.824 1.00 0.00 C ATOM 0 H MET A 114 3.442 4.302 14.245 1.00 0.00 H new ATOM 0 HA MET A 114 6.192 4.409 15.171 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.888 3.159 12.722 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.559 2.933 13.198 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.858 1.837 15.279 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.173 2.143 14.904 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.388 -1.731 14.414 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.202 -0.739 15.647 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.519 -0.386 15.190 1.00 0.00 H new ATOM 1704 N GLY A 115 5.102 6.381 12.899 1.00 0.00 N ATOM 1705 CA GLY A 115 5.457 7.453 11.991 1.00 0.00 C ATOM 1706 C GLY A 115 5.094 7.131 10.557 1.00 0.00 C ATOM 1707 O GLY A 115 5.456 7.861 9.638 1.00 0.00 O ATOM 0 H GLY A 115 4.110 6.327 13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.949 8.368 12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.528 7.645 12.059 1.00 0.00 H new ATOM 1711 N VAL A 116 4.371 6.035 10.370 1.00 0.00 N ATOM 1712 CA VAL A 116 3.975 5.599 9.040 1.00 0.00 C ATOM 1713 C VAL A 116 2.676 6.276 8.619 1.00 0.00 C ATOM 1714 O VAL A 116 1.606 5.977 9.156 1.00 0.00 O ATOM 1715 CB VAL A 116 3.788 4.066 8.977 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.507 3.612 7.553 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.008 3.348 9.541 1.00 0.00 C ATOM 0 H VAL A 116 4.047 5.431 11.125 1.00 0.00 H new ATOM 0 HA VAL A 116 4.776 5.882 8.357 1.00 0.00 H new ATOM 0 HB VAL A 116 2.926 3.806 9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.379 2.530 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.597 4.091 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.343 3.890 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.854 2.270 9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.890 3.618 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.154 3.641 10.581 1.00 0.00 H new ATOM 1727 N GLY A 117 2.775 7.199 7.673 1.00 0.00 N ATOM 1728 CA GLY A 117 1.598 7.875 7.170 1.00 0.00 C ATOM 1729 C GLY A 117 0.810 7.000 6.217 1.00 0.00 C ATOM 1730 O GLY A 117 1.243 6.754 5.092 1.00 0.00 O ATOM 0 H GLY A 117 3.653 7.492 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 117 0.962 8.167 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.895 8.791 6.660 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.334 6.514 6.672 1.00 0.00 N ATOM 1735 CA VAL A 118 -1.172 5.648 5.856 1.00 0.00 C ATOM 1736 C VAL A 118 -2.119 6.474 4.995 1.00 0.00 C ATOM 1737 O VAL A 118 -3.024 7.131 5.507 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.994 4.672 6.726 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.774 3.697 5.854 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -1.090 3.924 7.693 1.00 0.00 C ATOM 0 H VAL A 118 -0.704 6.704 7.603 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.508 5.068 5.215 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.709 5.254 7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.346 3.019 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.455 4.251 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.080 3.122 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.688 3.242 8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.348 3.356 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.585 4.637 8.345 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.892 6.446 3.692 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.719 7.184 2.749 1.00 0.00 C ATOM 1752 C GLU A 119 -3.510 6.223 1.872 1.00 0.00 C ATOM 1753 O GLU A 119 -2.934 5.433 1.121 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.849 8.093 1.877 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.255 9.278 2.624 1.00 0.00 C ATOM 1756 CD GLU A 119 -2.303 10.296 3.027 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.684 11.125 2.175 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -2.748 10.275 4.192 1.00 0.00 O ATOM 0 H GLU A 119 -1.136 5.916 3.260 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.418 7.801 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.039 7.503 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.448 8.463 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.740 8.920 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.507 9.761 1.996 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.827 6.289 1.972 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.695 5.427 1.190 1.00 0.00 C ATOM 1767 C ALA A 120 -6.277 6.192 0.013 1.00 0.00 C ATOM 1768 O ALA A 120 -7.020 7.155 0.196 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.807 4.856 2.057 1.00 0.00 C ATOM 0 H ALA A 120 -5.320 6.934 2.590 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.102 4.597 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.446 4.213 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.372 4.274 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.400 5.671 2.471 1.00 0.00 H new ATOM 1775 N MET A 121 -5.926 5.768 -1.192 1.00 0.00 N ATOM 1776 CA MET A 121 -6.378 6.432 -2.408 1.00 0.00 C ATOM 1777 C MET A 121 -6.735 5.398 -3.465 1.00 0.00 C ATOM 1778 O MET A 121 -6.753 4.201 -3.184 1.00 0.00 O ATOM 1779 CB MET A 121 -5.290 7.363 -2.953 1.00 0.00 C ATOM 1780 CG MET A 121 -4.950 8.524 -2.036 1.00 0.00 C ATOM 1781 SD MET A 121 -3.627 9.559 -2.693 1.00 0.00 S ATOM 1782 CE MET A 121 -2.288 8.374 -2.803 1.00 0.00 C ATOM 0 H MET A 121 -5.325 4.960 -1.355 1.00 0.00 H new ATOM 0 HA MET A 121 -7.260 7.025 -2.165 1.00 0.00 H new ATOM 0 HB2 MET A 121 -4.386 6.781 -3.134 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.614 7.758 -3.916 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.840 9.133 -1.881 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.654 8.138 -1.061 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.336 8.903 -2.845 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.304 7.725 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 121 -2.408 7.772 -3.704 1.00 0.00 H new ATOM 1792 N ASP A 122 -7.022 5.861 -4.673 1.00 0.00 N ATOM 1793 CA ASP A 122 -7.259 4.964 -5.798 1.00 0.00 C ATOM 1794 C ASP A 122 -5.955 4.286 -6.193 1.00 0.00 C ATOM 1795 O ASP A 122 -4.871 4.802 -5.908 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.845 5.723 -6.995 1.00 0.00 C ATOM 1797 CG ASP A 122 -9.264 6.201 -6.754 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -9.453 7.147 -5.961 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -10.197 5.645 -7.369 1.00 0.00 O ATOM 0 H ASP A 122 -7.097 6.852 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.983 4.209 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.211 6.581 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.829 5.076 -7.872 1.00 0.00 H new ATOM 1804 N THR A 123 -6.059 3.142 -6.850 1.00 0.00 N ATOM 1805 CA THR A 123 -4.891 2.356 -7.219 1.00 0.00 C ATOM 1806 C THR A 123 -3.953 3.151 -8.130 1.00 0.00 C ATOM 1807 O THR A 123 -2.742 3.182 -7.908 1.00 0.00 O ATOM 1808 CB THR A 123 -5.319 1.049 -7.911 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.253 0.357 -7.072 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.123 0.149 -8.188 1.00 0.00 C ATOM 0 H THR A 123 -6.947 2.734 -7.141 1.00 0.00 H new ATOM 0 HA THR A 123 -4.350 2.113 -6.304 1.00 0.00 H new ATOM 0 HB THR A 123 -5.781 1.301 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.159 -0.609 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.461 -0.765 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.419 0.669 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.632 -0.103 -7.248 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.520 3.811 -9.133 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.729 4.622 -10.053 1.00 0.00 C ATOM 1820 C GLN A 124 -3.082 5.798 -9.321 1.00 0.00 C ATOM 1821 O GLN A 124 -1.917 6.122 -9.552 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.600 5.133 -11.204 1.00 0.00 C ATOM 1823 CG GLN A 124 -3.840 5.995 -12.199 1.00 0.00 C ATOM 1824 CD GLN A 124 -4.707 6.473 -13.347 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.650 5.796 -13.757 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.399 7.649 -13.867 1.00 0.00 N ATOM 0 H GLN A 124 -5.521 3.801 -9.330 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.939 3.993 -10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.033 4.281 -11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.429 5.709 -10.794 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.424 6.859 -11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.999 5.427 -12.597 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.609 8.179 -13.498 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.951 8.027 -14.637 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.841 6.418 -8.421 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.355 7.569 -7.669 1.00 0.00 C ATOM 1837 C ALA A 125 -2.192 7.177 -6.765 1.00 0.00 C ATOM 1838 O ALA A 125 -1.201 7.904 -6.650 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.483 8.177 -6.850 1.00 0.00 C ATOM 0 H ALA A 125 -4.796 6.141 -8.195 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.995 8.314 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.107 9.035 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.284 8.499 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.868 7.433 -6.153 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.316 6.020 -6.131 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.266 5.506 -5.267 1.00 0.00 C ATOM 1847 C ALA A 126 -0.030 5.148 -6.082 1.00 0.00 C ATOM 1848 O ALA A 126 1.095 5.437 -5.678 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.762 4.295 -4.491 1.00 0.00 C ATOM 0 H ALA A 126 -3.137 5.418 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.994 6.285 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.964 3.922 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.617 4.581 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.061 3.513 -5.189 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.252 4.539 -7.242 1.00 0.00 N ATOM 1856 CA ALA A 127 0.838 4.117 -8.113 1.00 0.00 C ATOM 1857 C ALA A 127 1.642 5.311 -8.619 1.00 0.00 C ATOM 1858 O ALA A 127 2.874 5.274 -8.635 1.00 0.00 O ATOM 1859 CB ALA A 127 0.299 3.308 -9.285 1.00 0.00 C ATOM 0 H ALA A 127 -1.182 4.326 -7.602 1.00 0.00 H new ATOM 0 HA ALA A 127 1.507 3.487 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.126 3.001 -9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.218 2.424 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.397 3.919 -9.859 1.00 0.00 H new ATOM 1865 N ARG A 128 0.947 6.371 -9.023 1.00 0.00 N ATOM 1866 CA ARG A 128 1.611 7.568 -9.531 1.00 0.00 C ATOM 1867 C ARG A 128 2.477 8.194 -8.443 1.00 0.00 C ATOM 1868 O ARG A 128 3.647 8.510 -8.665 1.00 0.00 O ATOM 1869 CB ARG A 128 0.591 8.598 -10.018 1.00 0.00 C ATOM 1870 CG ARG A 128 1.216 9.721 -10.834 1.00 0.00 C ATOM 1871 CD ARG A 128 0.299 10.931 -10.936 1.00 0.00 C ATOM 1872 NE ARG A 128 -1.057 10.574 -11.348 1.00 0.00 N ATOM 1873 CZ ARG A 128 -1.565 10.826 -12.553 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -0.807 11.382 -13.491 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -2.827 10.519 -12.815 1.00 0.00 N ATOM 0 H ARG A 128 -0.071 6.426 -9.009 1.00 0.00 H new ATOM 0 HA ARG A 128 2.238 7.269 -10.371 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.164 8.095 -10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.077 9.026 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.160 10.019 -10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.447 9.356 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.261 11.436 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.717 11.640 -11.650 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.653 10.101 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.165 11.616 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.197 11.575 -14.414 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.408 10.090 -12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.218 10.711 -13.737 1.00 0.00 H new ATOM 1889 N THR A 129 1.890 8.358 -7.266 1.00 0.00 N ATOM 1890 CA THR A 129 2.590 8.945 -6.133 1.00 0.00 C ATOM 1891 C THR A 129 3.782 8.072 -5.725 1.00 0.00 C ATOM 1892 O THR A 129 4.853 8.578 -5.379 1.00 0.00 O ATOM 1893 CB THR A 129 1.630 9.118 -4.940 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.416 9.748 -5.383 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.268 9.962 -3.843 1.00 0.00 C ATOM 0 H THR A 129 0.925 8.091 -7.071 1.00 0.00 H new ATOM 0 HA THR A 129 2.962 9.925 -6.431 1.00 0.00 H new ATOM 0 HB THR A 129 1.409 8.131 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.197 9.068 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.569 10.068 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.177 9.475 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.514 10.947 -4.239 1.00 0.00 H new ATOM 1903 N TYR A 130 3.588 6.758 -5.791 1.00 0.00 N ATOM 1904 CA TYR A 130 4.644 5.805 -5.479 1.00 0.00 C ATOM 1905 C TYR A 130 5.802 5.942 -6.461 1.00 0.00 C ATOM 1906 O TYR A 130 6.960 5.953 -6.058 1.00 0.00 O ATOM 1907 CB TYR A 130 4.096 4.374 -5.499 1.00 0.00 C ATOM 1908 CG TYR A 130 5.160 3.301 -5.397 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.851 3.085 -4.210 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.473 2.505 -6.491 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.823 2.107 -4.118 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.442 1.526 -6.406 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.115 1.331 -5.219 1.00 0.00 C ATOM 1914 OH TYR A 130 8.084 0.357 -5.137 1.00 0.00 O ATOM 0 H TYR A 130 2.703 6.329 -6.060 1.00 0.00 H new ATOM 0 HA TYR A 130 5.015 6.023 -4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.394 4.254 -4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.533 4.225 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.624 3.692 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.949 2.655 -7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.351 1.952 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.672 0.915 -7.266 1.00 0.00 H new ATOM 0 HH TYR A 130 8.784 0.536 -5.799 1.00 0.00 H new ATOM 1924 N ASN A 131 5.479 6.066 -7.746 1.00 0.00 N ATOM 1925 CA ASN A 131 6.495 6.193 -8.791 1.00 0.00 C ATOM 1926 C ASN A 131 7.439 7.354 -8.488 1.00 0.00 C ATOM 1927 O ASN A 131 8.663 7.215 -8.560 1.00 0.00 O ATOM 1928 CB ASN A 131 5.835 6.416 -10.155 1.00 0.00 C ATOM 1929 CG ASN A 131 6.837 6.405 -11.295 1.00 0.00 C ATOM 1930 OD1 ASN A 131 7.811 5.652 -11.276 1.00 0.00 O ATOM 1931 ND2 ASN A 131 6.618 7.258 -12.283 1.00 0.00 N ATOM 0 H ASN A 131 4.519 6.081 -8.091 1.00 0.00 H new ATOM 0 HA ASN A 131 7.068 5.266 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.088 5.640 -10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 131 5.308 7.370 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 131 7.269 7.308 -13.067 1.00 0.00 H new ATOM 0 HD22 ASN A 131 5.798 7.865 -12.261 1.00 0.00 H new ATOM 1938 N ILE A 132 6.855 8.490 -8.124 1.00 0.00 N ATOM 1939 CA ILE A 132 7.621 9.690 -7.807 1.00 0.00 C ATOM 1940 C ILE A 132 8.558 9.448 -6.623 1.00 0.00 C ATOM 1941 O ILE A 132 9.764 9.692 -6.709 1.00 0.00 O ATOM 1942 CB ILE A 132 6.687 10.877 -7.481 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.730 11.138 -8.649 1.00 0.00 C ATOM 1944 CG2 ILE A 132 7.501 12.128 -7.169 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.718 12.233 -8.380 1.00 0.00 C ATOM 0 H ILE A 132 5.845 8.605 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 132 8.214 9.934 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 132 6.098 10.622 -6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.313 11.404 -9.531 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.199 10.216 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.827 12.954 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.145 11.938 -6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 132 8.114 12.388 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.077 12.359 -9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.108 11.961 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.239 13.168 -8.175 1.00 0.00 H new ATOM 1957 N LEU A 133 7.998 8.944 -5.531 1.00 0.00 N ATOM 1958 CA LEU A 133 8.755 8.742 -4.300 1.00 0.00 C ATOM 1959 C LEU A 133 9.772 7.611 -4.446 1.00 0.00 C ATOM 1960 O LEU A 133 10.835 7.642 -3.826 1.00 0.00 O ATOM 1961 CB LEU A 133 7.806 8.453 -3.137 1.00 0.00 C ATOM 1962 CG LEU A 133 6.820 9.578 -2.808 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.888 9.155 -1.685 1.00 0.00 C ATOM 1964 CD2 LEU A 133 7.569 10.849 -2.431 1.00 0.00 C ATOM 0 H LEU A 133 7.018 8.666 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 133 9.305 9.660 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.240 7.550 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.400 8.240 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 133 6.220 9.783 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 133 5.194 9.966 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.328 8.271 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.473 8.924 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.853 11.638 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.193 10.658 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.198 11.162 -3.265 1.00 0.00 H new ATOM 1976 N MET A 134 9.446 6.618 -5.265 1.00 0.00 N ATOM 1977 CA MET A 134 10.354 5.504 -5.522 1.00 0.00 C ATOM 1978 C MET A 134 11.584 5.989 -6.276 1.00 0.00 C ATOM 1979 O MET A 134 12.710 5.607 -5.958 1.00 0.00 O ATOM 1980 CB MET A 134 9.654 4.405 -6.325 1.00 0.00 C ATOM 1981 CG MET A 134 10.556 3.226 -6.661 1.00 0.00 C ATOM 1982 SD MET A 134 9.739 1.988 -7.686 1.00 0.00 S ATOM 1983 CE MET A 134 9.277 2.978 -9.108 1.00 0.00 C ATOM 0 H MET A 134 8.558 6.561 -5.764 1.00 0.00 H new ATOM 0 HA MET A 134 10.662 5.090 -4.562 1.00 0.00 H new ATOM 0 HB2 MET A 134 8.795 4.045 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.269 4.832 -7.251 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.444 3.590 -7.178 1.00 0.00 H new ATOM 0 HG3 MET A 134 10.895 2.759 -5.736 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.956 2.323 -9.918 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.460 3.646 -8.836 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.134 3.567 -9.435 1.00 0.00 H new ATOM 1993 N ALA A 135 11.361 6.840 -7.271 1.00 0.00 N ATOM 1994 CA ALA A 135 12.453 7.421 -8.037 1.00 0.00 C ATOM 1995 C ALA A 135 13.277 8.358 -7.163 1.00 0.00 C ATOM 1996 O ALA A 135 14.503 8.395 -7.254 1.00 0.00 O ATOM 1997 CB ALA A 135 11.914 8.158 -9.252 1.00 0.00 C ATOM 0 H ALA A 135 10.432 7.142 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 135 13.101 6.616 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.743 8.587 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.367 7.461 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.245 8.955 -8.927 1.00 0.00 H new ATOM 2003 N GLU A 136 12.587 9.105 -6.307 1.00 0.00 N ATOM 2004 CA GLU A 136 13.243 9.994 -5.357 1.00 0.00 C ATOM 2005 C GLU A 136 14.097 9.185 -4.382 1.00 0.00 C ATOM 2006 O GLU A 136 15.184 9.608 -3.986 1.00 0.00 O ATOM 2007 CB GLU A 136 12.193 10.815 -4.601 1.00 0.00 C ATOM 2008 CG GLU A 136 12.774 11.849 -3.651 1.00 0.00 C ATOM 2009 CD GLU A 136 13.653 12.861 -4.354 1.00 0.00 C ATOM 2010 OE1 GLU A 136 13.121 13.870 -4.859 1.00 0.00 O ATOM 2011 OE2 GLU A 136 14.883 12.655 -4.400 1.00 0.00 O ATOM 0 H GLU A 136 11.568 9.111 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 136 13.896 10.678 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.555 11.322 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.556 10.136 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.960 12.370 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 136 13.355 11.342 -2.881 1.00 0.00 H new ATOM 2018 N GLY A 137 13.597 8.015 -4.009 1.00 0.00 N ATOM 2019 CA GLY A 137 14.335 7.136 -3.126 1.00 0.00 C ATOM 2020 C GLY A 137 13.915 7.288 -1.680 1.00 0.00 C ATOM 2021 O GLY A 137 14.742 7.196 -0.776 1.00 0.00 O ATOM 0 H GLY A 137 12.688 7.658 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.186 6.102 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.401 7.346 -3.216 1.00 0.00 H new ATOM 2025 N ARG A 138 12.629 7.519 -1.463 1.00 0.00 N ATOM 2026 CA ARG A 138 12.108 7.706 -0.117 1.00 0.00 C ATOM 2027 C ARG A 138 11.439 6.417 0.366 1.00 0.00 C ATOM 2028 O ARG A 138 11.101 5.551 -0.446 1.00 0.00 O ATOM 2029 CB ARG A 138 11.124 8.879 -0.105 1.00 0.00 C ATOM 2030 CG ARG A 138 10.866 9.445 1.278 1.00 0.00 C ATOM 2031 CD ARG A 138 10.024 10.704 1.215 1.00 0.00 C ATOM 2032 NE ARG A 138 9.812 11.287 2.538 1.00 0.00 N ATOM 2033 CZ ARG A 138 9.217 12.461 2.744 1.00 0.00 C ATOM 2034 NH1 ARG A 138 8.862 13.217 1.712 1.00 0.00 N ATOM 2035 NH2 ARG A 138 9.015 12.898 3.982 1.00 0.00 N ATOM 0 H ARG A 138 11.927 7.581 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 138 12.926 7.938 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.510 9.672 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.178 8.552 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.360 8.698 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.816 9.665 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.512 11.435 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.060 10.473 0.762 1.00 0.00 H new ATOM 0 HE ARG A 138 10.139 10.765 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.045 12.899 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.406 14.116 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.316 12.334 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.559 13.797 4.137 1.00 0.00 H new ATOM 2049 N ARG A 139 11.251 6.281 1.678 1.00 0.00 N ATOM 2050 CA ARG A 139 10.703 5.049 2.241 1.00 0.00 C ATOM 2051 C ARG A 139 9.188 4.991 2.061 1.00 0.00 C ATOM 2052 O ARG A 139 8.419 5.261 2.990 1.00 0.00 O ATOM 2053 CB ARG A 139 11.065 4.911 3.723 1.00 0.00 C ATOM 2054 CG ARG A 139 12.551 5.068 4.001 1.00 0.00 C ATOM 2055 CD ARG A 139 12.887 4.786 5.455 1.00 0.00 C ATOM 2056 NE ARG A 139 12.669 3.381 5.804 1.00 0.00 N ATOM 2057 CZ ARG A 139 13.465 2.385 5.407 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.541 2.638 4.670 1.00 0.00 N ATOM 2059 NH2 ARG A 139 13.194 1.135 5.755 1.00 0.00 N ATOM 0 H ARG A 139 11.468 7.002 2.366 1.00 0.00 H new ATOM 0 HA ARG A 139 11.148 4.214 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.515 5.659 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.738 3.934 4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.114 4.390 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 139 12.863 6.081 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 139 13.927 5.050 5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.275 5.419 6.098 1.00 0.00 H new ATOM 0 HE ARG A 139 11.862 3.150 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 139 14.763 3.597 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.145 1.873 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 139 12.375 0.931 6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 139 13.804 0.377 5.450 1.00 0.00 H new ATOM 2073 N VAL A 140 8.774 4.657 0.852 1.00 0.00 N ATOM 2074 CA VAL A 140 7.365 4.536 0.523 1.00 0.00 C ATOM 2075 C VAL A 140 7.008 3.078 0.242 1.00 0.00 C ATOM 2076 O VAL A 140 7.726 2.379 -0.470 1.00 0.00 O ATOM 2077 CB VAL A 140 7.000 5.415 -0.700 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.894 5.093 -1.890 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.532 5.251 -1.073 1.00 0.00 C ATOM 0 H VAL A 140 9.403 4.463 0.073 1.00 0.00 H new ATOM 0 HA VAL A 140 6.790 4.885 1.380 1.00 0.00 H new ATOM 0 HB VAL A 140 7.166 6.456 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.617 5.724 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.935 5.279 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.771 4.045 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.303 5.879 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.334 4.208 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.907 5.548 -0.231 1.00 0.00 H new ATOM 2089 N VAL A 141 5.919 2.619 0.834 1.00 0.00 N ATOM 2090 CA VAL A 141 5.416 1.281 0.574 1.00 0.00 C ATOM 2091 C VAL A 141 4.054 1.385 -0.090 1.00 0.00 C ATOM 2092 O VAL A 141 3.212 2.173 0.342 1.00 0.00 O ATOM 2093 CB VAL A 141 5.288 0.448 1.870 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.887 -0.985 1.550 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.585 0.478 2.663 1.00 0.00 C ATOM 0 H VAL A 141 5.364 3.156 1.501 1.00 0.00 H new ATOM 0 HA VAL A 141 6.128 0.775 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 141 4.505 0.894 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.802 -1.554 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.927 -0.988 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.644 -1.441 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.470 -0.115 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.391 0.063 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.824 1.507 2.930 1.00 0.00 H new ATOM 2105 N VAL A 142 3.837 0.619 -1.145 1.00 0.00 N ATOM 2106 CA VAL A 142 2.578 0.687 -1.862 1.00 0.00 C ATOM 2107 C VAL A 142 1.853 -0.657 -1.835 1.00 0.00 C ATOM 2108 O VAL A 142 2.461 -1.716 -2.013 1.00 0.00 O ATOM 2109 CB VAL A 142 2.781 1.155 -3.323 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.574 0.137 -4.128 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.447 1.450 -3.992 1.00 0.00 C ATOM 0 H VAL A 142 4.509 -0.050 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 142 1.959 1.425 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 142 3.359 2.079 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.698 0.498 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.554 -0.004 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.039 -0.813 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.619 1.777 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.835 0.548 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.930 2.237 -3.442 1.00 0.00 H new ATOM 2121 N ALA A 143 0.558 -0.603 -1.576 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.289 -1.780 -1.617 1.00 0.00 C ATOM 2123 C ALA A 143 -1.345 -1.598 -2.694 1.00 0.00 C ATOM 2124 O ALA A 143 -2.156 -0.677 -2.626 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.938 -2.020 -0.262 1.00 0.00 C ATOM 0 H ALA A 143 0.066 0.256 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 143 0.318 -2.653 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.569 -2.907 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.164 -2.168 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.546 -1.157 0.008 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.322 -2.460 -3.695 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.210 -2.313 -4.837 1.00 0.00 C ATOM 2133 C LEU A 144 -3.313 -3.361 -4.814 1.00 0.00 C ATOM 2134 O LEU A 144 -3.038 -4.563 -4.822 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.416 -2.418 -6.141 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.346 -1.341 -6.339 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.413 -1.577 -7.636 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -0.970 0.047 -6.333 1.00 0.00 C ATOM 0 H LEU A 144 -0.700 -3.267 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.674 -1.329 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -0.936 -3.396 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.113 -2.373 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 144 0.358 -1.403 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.170 -0.802 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.896 -2.554 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.282 -1.544 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.191 0.797 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.698 0.122 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.468 0.218 -5.379 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.556 -2.893 -4.773 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.711 -3.777 -4.806 1.00 0.00 C ATOM 2152 C LEU A 145 -6.314 -3.807 -6.207 1.00 0.00 C ATOM 2153 O LEU A 145 -6.551 -2.757 -6.816 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.781 -3.317 -3.807 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.314 -3.182 -2.356 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.465 -2.744 -1.461 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -5.726 -4.489 -1.859 1.00 0.00 C ATOM 0 H LEU A 145 -4.788 -1.901 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.375 -4.777 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.170 -2.353 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.611 -4.023 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.537 -2.418 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.113 -2.654 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.844 -1.780 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.264 -3.484 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -5.400 -4.372 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -6.482 -5.272 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -4.873 -4.763 -2.480 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.552 -5.009 -6.747 1.00 0.00 N ATOM 2170 CA PRO A 146 -7.224 -5.184 -8.023 1.00 0.00 C ATOM 2171 C PRO A 146 -8.736 -5.110 -7.858 1.00 0.00 C ATOM 2172 O PRO A 146 -9.356 -6.034 -7.327 1.00 0.00 O ATOM 2173 CB PRO A 146 -6.798 -6.590 -8.480 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.930 -7.139 -7.388 1.00 0.00 C ATOM 2175 CD PRO A 146 -6.181 -6.298 -6.168 1.00 0.00 C ATOM 0 HA PRO A 146 -6.960 -4.408 -8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -7.668 -7.227 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.255 -6.545 -9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -6.170 -8.184 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.879 -7.101 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.978 -6.709 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -5.295 -6.221 -5.538 1.00 0.00 H new