USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 669 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 21 CYS SG : rot -179:sc= 1.12! USER MOD Set 1.2: A 51 TYR OH : rot -20:sc= 1.61 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -71:sc= -0.884 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0536 USER MOD Single : A 35 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.148 F(o=-0.84,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= 0.257 (180deg=0.0642) USER MOD Single : A 65 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.76) USER MOD Single : A 95 LYS NZ :NH3+ -139:sc= 0.13 (180deg=-0.141) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 99 ASN : amide:sc= -0.377 K(o=-0.38,f=-2.9!) USER MOD Single : A 100 GLN : amide:sc=-0.00279 X(o=-0.0028,f=-0.089) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00238) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -0.376 F(o=-2.2!,f=-0.38) USER MOD Single : A 108 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.6!) USER MOD Single : A 109 HIS :FLIP no HE2:sc= 0.0169 F(o=-0.56,f=0.017) USER MOD Single : A 111 GLN : amide:sc= -3.83! C(o=-3.8!,f=-3.6!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 169:sc= -0.127 (180deg=-0.358) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.657 -4.021 6.473 1.00 0.00 N ATOM 141 CA VAL A 13 -59.439 -2.616 6.774 1.00 0.00 C ATOM 142 C VAL A 13 -59.910 -2.325 8.200 1.00 0.00 C ATOM 143 O VAL A 13 -60.829 -2.974 8.699 1.00 0.00 O ATOM 144 CB VAL A 13 -60.133 -1.743 5.726 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.261 -0.299 6.213 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.397 -1.806 4.386 1.00 0.00 C ATOM 0 HA VAL A 13 -58.377 -2.376 6.727 1.00 0.00 H new ATOM 0 HB VAL A 13 -61.138 -2.136 5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.758 0.300 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.848 -0.275 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.269 0.109 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.911 -1.177 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.375 -1.451 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -59.381 -2.835 4.028 1.00 0.00 H new ATOM 156 N GLU A 14 -59.259 -1.350 8.817 1.00 0.00 N ATOM 157 CA GLU A 14 -59.599 -0.966 10.176 1.00 0.00 C ATOM 158 C GLU A 14 -59.898 0.533 10.245 1.00 0.00 C ATOM 159 O GLU A 14 -59.180 1.341 9.658 1.00 0.00 O ATOM 160 CB GLU A 14 -58.483 -1.347 11.150 1.00 0.00 C ATOM 161 CG GLU A 14 -58.409 -2.864 11.332 1.00 0.00 C ATOM 162 CD GLU A 14 -57.987 -3.225 12.758 1.00 0.00 C ATOM 163 OE1 GLU A 14 -58.896 -3.329 13.610 1.00 0.00 O ATOM 164 OE2 GLU A 14 -56.765 -3.389 12.964 1.00 0.00 O ATOM 0 H GLU A 14 -58.498 -0.814 8.400 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.496 -1.510 10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.528 -0.975 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -58.658 -0.870 12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -59.380 -3.308 11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -57.698 -3.285 10.621 1.00 0.00 H new ATOM 171 N ILE A 15 -60.960 0.860 10.966 1.00 0.00 N ATOM 172 CA ILE A 15 -61.363 2.248 11.119 1.00 0.00 C ATOM 173 C ILE A 15 -60.614 2.864 12.302 1.00 0.00 C ATOM 174 O ILE A 15 -60.152 2.149 13.190 1.00 0.00 O ATOM 175 CB ILE A 15 -62.885 2.355 11.232 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.576 1.393 10.264 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.350 3.799 11.035 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.278 1.770 8.811 1.00 0.00 C ATOM 0 H ILE A 15 -61.554 0.188 11.451 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.091 2.823 10.234 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.174 2.059 12.241 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.239 0.374 10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.652 1.410 10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.436 3.846 11.120 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -62.898 4.434 11.797 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.048 4.147 10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -63.781 1.071 8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.638 2.780 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.203 1.728 8.637 1.00 0.00 H new ATOM 190 N GLY A 16 -60.516 4.185 12.276 1.00 0.00 N ATOM 191 CA GLY A 16 -59.831 4.906 13.335 1.00 0.00 C ATOM 192 C GLY A 16 -58.342 5.064 13.017 1.00 0.00 C ATOM 193 O GLY A 16 -57.663 5.901 13.609 1.00 0.00 O ATOM 0 H GLY A 16 -60.900 4.775 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.285 5.888 13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -59.950 4.374 14.279 1.00 0.00 H new ATOM 197 N GLU A 17 -57.880 4.246 12.083 1.00 0.00 N ATOM 198 CA GLU A 17 -56.485 4.284 11.679 1.00 0.00 C ATOM 199 C GLU A 17 -56.341 4.997 10.332 1.00 0.00 C ATOM 200 O GLU A 17 -57.284 5.037 9.544 1.00 0.00 O ATOM 201 CB GLU A 17 -55.892 2.875 11.619 1.00 0.00 C ATOM 202 CG GLU A 17 -54.607 2.855 10.789 1.00 0.00 C ATOM 203 CD GLU A 17 -53.467 3.559 11.527 1.00 0.00 C ATOM 204 OE1 GLU A 17 -53.432 3.433 12.770 1.00 0.00 O ATOM 205 OE2 GLU A 17 -52.656 4.208 10.832 1.00 0.00 O ATOM 0 H GLU A 17 -58.447 3.553 11.594 1.00 0.00 H new ATOM 0 HA GLU A 17 -55.926 4.846 12.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -55.682 2.522 12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -56.620 2.189 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.324 1.824 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -54.781 3.344 9.831 1.00 0.00 H new ATOM 212 N THR A 18 -55.154 5.541 10.111 1.00 0.00 N ATOM 213 CA THR A 18 -54.875 6.250 8.873 1.00 0.00 C ATOM 214 C THR A 18 -54.170 5.327 7.877 1.00 0.00 C ATOM 215 O THR A 18 -53.327 4.519 8.263 1.00 0.00 O ATOM 216 CB THR A 18 -54.066 7.502 9.218 1.00 0.00 C ATOM 217 OG1 THR A 18 -54.917 8.234 10.096 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.885 8.431 8.015 1.00 0.00 C ATOM 0 H THR A 18 -54.374 5.506 10.768 1.00 0.00 H new ATOM 0 HA THR A 18 -55.795 6.565 8.381 1.00 0.00 H new ATOM 0 HB THR A 18 -53.089 7.209 9.601 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.470 9.061 10.371 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.304 9.304 8.313 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.360 7.900 7.221 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.862 8.752 7.653 1.00 0.00 H new ATOM 226 N TYR A 19 -54.542 5.478 6.614 1.00 0.00 N ATOM 227 CA TYR A 19 -53.956 4.668 5.560 1.00 0.00 C ATOM 228 C TYR A 19 -53.515 5.538 4.381 1.00 0.00 C ATOM 229 O TYR A 19 -53.936 6.687 4.261 1.00 0.00 O ATOM 230 CB TYR A 19 -55.062 3.719 5.093 1.00 0.00 C ATOM 231 CG TYR A 19 -55.482 2.688 6.142 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.071 3.103 7.320 1.00 0.00 C ATOM 233 CD2 TYR A 19 -55.272 1.344 5.911 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.466 2.132 8.307 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.668 0.374 6.899 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.245 0.816 8.048 1.00 0.00 C ATOM 237 OH TYR A 19 -56.619 -0.101 8.981 1.00 0.00 O ATOM 0 H TYR A 19 -55.242 6.149 6.297 1.00 0.00 H new ATOM 0 HA TYR A 19 -53.077 4.137 5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.934 4.307 4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.724 3.195 4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.235 4.155 7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.811 1.020 4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -56.928 2.442 9.233 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.510 -0.681 6.731 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.021 -0.042 9.755 1.00 0.00 H new ATOM 247 N LEU A 20 -52.672 4.956 3.540 1.00 0.00 N ATOM 248 CA LEU A 20 -52.170 5.664 2.375 1.00 0.00 C ATOM 249 C LEU A 20 -53.148 5.483 1.213 1.00 0.00 C ATOM 250 O LEU A 20 -53.374 4.364 0.755 1.00 0.00 O ATOM 251 CB LEU A 20 -50.742 5.218 2.052 1.00 0.00 C ATOM 252 CG LEU A 20 -49.728 5.340 3.192 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.559 6.798 3.622 1.00 0.00 C ATOM 254 CD2 LEU A 20 -50.111 4.436 4.365 1.00 0.00 C ATOM 0 H LEU A 20 -52.324 4.003 3.643 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.108 6.733 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.772 4.178 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.381 5.805 1.207 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.760 4.999 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.833 6.856 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.206 7.388 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.517 7.190 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.374 4.542 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -51.094 4.723 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -50.138 3.399 4.031 1.00 0.00 H new ATOM 266 N CYS A 21 -53.702 6.601 0.768 1.00 0.00 N ATOM 267 CA CYS A 21 -54.650 6.580 -0.332 1.00 0.00 C ATOM 268 C CYS A 21 -53.917 7.004 -1.607 1.00 0.00 C ATOM 269 O CYS A 21 -53.085 7.909 -1.577 1.00 0.00 O ATOM 270 CB CYS A 21 -55.864 7.469 -0.050 1.00 0.00 C ATOM 271 SG CYS A 21 -56.854 7.679 -1.575 1.00 0.00 S ATOM 0 H CYS A 21 -53.512 7.528 1.150 1.00 0.00 H new ATOM 0 HA CYS A 21 -55.042 5.571 -0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.477 7.023 0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.536 8.441 0.317 1.00 0.00 H new ATOM 0 HG CYS A 21 -57.869 8.453 -1.330 1.00 0.00 H new ATOM 277 N ARG A 22 -54.253 6.329 -2.696 1.00 0.00 N ATOM 278 CA ARG A 22 -53.637 6.623 -3.979 1.00 0.00 C ATOM 279 C ARG A 22 -54.136 7.968 -4.511 1.00 0.00 C ATOM 280 O ARG A 22 -55.321 8.280 -4.405 1.00 0.00 O ATOM 281 CB ARG A 22 -53.948 5.530 -5.003 1.00 0.00 C ATOM 282 CG ARG A 22 -52.825 5.411 -6.035 1.00 0.00 C ATOM 283 CD ARG A 22 -52.427 3.948 -6.246 1.00 0.00 C ATOM 284 NE ARG A 22 -51.957 3.747 -7.635 1.00 0.00 N ATOM 285 CZ ARG A 22 -51.933 2.559 -8.255 1.00 0.00 C ATOM 286 NH1 ARG A 22 -52.351 1.460 -7.614 1.00 0.00 N ATOM 287 NH2 ARG A 22 -51.489 2.471 -9.517 1.00 0.00 N ATOM 0 H ARG A 22 -54.944 5.579 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.558 6.666 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -54.081 4.576 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.888 5.756 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -53.149 5.844 -6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -51.959 5.983 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.641 3.671 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -53.278 3.298 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 22 -51.631 4.563 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -52.688 1.527 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -52.333 0.556 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -51.170 3.308 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -51.471 1.567 -9.989 1.00 0.00 H new ATOM 376 N TRP A 28 -48.810 8.719 -3.104 1.00 0.00 N ATOM 377 CA TRP A 28 -49.928 8.436 -2.220 1.00 0.00 C ATOM 378 C TRP A 28 -50.023 9.573 -1.200 1.00 0.00 C ATOM 379 O TRP A 28 -49.071 10.330 -1.018 1.00 0.00 O ATOM 380 CB TRP A 28 -49.778 7.060 -1.570 1.00 0.00 C ATOM 381 CG TRP A 28 -49.943 5.891 -2.543 1.00 0.00 C ATOM 382 CD1 TRP A 28 -49.497 5.796 -3.803 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.623 4.645 -2.282 1.00 0.00 C ATOM 384 NE1 TRP A 28 -49.838 4.586 -4.371 1.00 0.00 N ATOM 385 CE2 TRP A 28 -50.545 3.863 -3.417 1.00 0.00 C ATOM 386 CE3 TRP A 28 -51.283 4.193 -1.126 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -51.105 2.583 -3.506 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.837 2.911 -1.231 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.767 2.112 -2.366 1.00 0.00 C ATOM 0 HA TRP A 28 -50.862 8.392 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -48.795 6.995 -1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -50.516 6.963 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -48.940 6.570 -4.310 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -49.613 4.278 -5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.357 4.788 -0.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -51.030 1.991 -4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.355 2.516 -0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.221 1.132 -2.368 1.00 0.00 H new ATOM 400 N HIS A 29 -51.180 9.656 -0.561 1.00 0.00 N ATOM 401 CA HIS A 29 -51.412 10.687 0.437 1.00 0.00 C ATOM 402 C HIS A 29 -52.120 10.078 1.649 1.00 0.00 C ATOM 403 O HIS A 29 -53.080 9.323 1.498 1.00 0.00 O ATOM 404 CB HIS A 29 -52.179 11.865 -0.168 1.00 0.00 C ATOM 405 CG HIS A 29 -51.330 12.776 -1.022 1.00 0.00 C ATOM 406 ND1 HIS A 29 -50.292 13.533 -0.507 1.00 0.00 N ATOM 407 CD2 HIS A 29 -51.376 13.044 -2.358 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.745 14.222 -1.498 1.00 0.00 C ATOM 409 NE2 HIS A 29 -50.419 13.918 -2.644 1.00 0.00 N ATOM 0 H HIS A 29 -51.968 9.026 -0.715 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.458 11.087 0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -53.000 11.479 -0.772 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.623 12.449 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -52.073 12.617 -3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -48.912 14.904 -1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -50.220 14.300 -3.569 1.00 0.00 H new ATOM 417 N SER A 30 -51.619 10.429 2.824 1.00 0.00 N ATOM 418 CA SER A 30 -52.192 9.927 4.062 1.00 0.00 C ATOM 419 C SER A 30 -53.648 10.382 4.187 1.00 0.00 C ATOM 420 O SER A 30 -53.959 11.550 3.961 1.00 0.00 O ATOM 421 CB SER A 30 -51.383 10.396 5.273 1.00 0.00 C ATOM 422 OG SER A 30 -50.709 11.626 5.021 1.00 0.00 O ATOM 0 H SER A 30 -50.823 11.055 2.945 1.00 0.00 H new ATOM 0 HA SER A 30 -52.159 8.838 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 30 -52.048 10.515 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.654 9.631 5.540 1.00 0.00 H new ATOM 0 HG SER A 30 -50.205 11.892 5.818 1.00 0.00 H new ATOM 428 N ALA A 31 -54.501 9.434 4.548 1.00 0.00 N ATOM 429 CA ALA A 31 -55.916 9.723 4.706 1.00 0.00 C ATOM 430 C ALA A 31 -56.491 8.842 5.817 1.00 0.00 C ATOM 431 O ALA A 31 -56.242 7.638 5.851 1.00 0.00 O ATOM 432 CB ALA A 31 -56.632 9.516 3.369 1.00 0.00 C ATOM 0 H ALA A 31 -54.239 8.466 4.735 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.065 10.762 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.694 9.733 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.206 10.185 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.507 8.483 3.045 1.00 0.00 H new ATOM 438 N GLU A 32 -57.248 9.477 6.700 1.00 0.00 N ATOM 439 CA GLU A 32 -57.859 8.766 7.810 1.00 0.00 C ATOM 440 C GLU A 32 -59.148 8.079 7.354 1.00 0.00 C ATOM 441 O GLU A 32 -59.954 8.674 6.640 1.00 0.00 O ATOM 442 CB GLU A 32 -58.126 9.709 8.985 1.00 0.00 C ATOM 443 CG GLU A 32 -59.264 10.679 8.661 1.00 0.00 C ATOM 444 CD GLU A 32 -59.784 11.358 9.930 1.00 0.00 C ATOM 445 OE1 GLU A 32 -59.921 10.639 10.943 1.00 0.00 O ATOM 446 OE2 GLU A 32 -60.032 12.581 9.859 1.00 0.00 O ATOM 0 H GLU A 32 -57.452 10.476 6.669 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.163 8.000 8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -58.380 9.128 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.221 10.270 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -58.914 11.434 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.077 10.141 8.173 1.00 0.00 H new ATOM 453 N VAL A 33 -59.303 6.836 7.787 1.00 0.00 N ATOM 454 CA VAL A 33 -60.480 6.062 7.432 1.00 0.00 C ATOM 455 C VAL A 33 -61.612 6.387 8.408 1.00 0.00 C ATOM 456 O VAL A 33 -61.571 5.982 9.569 1.00 0.00 O ATOM 457 CB VAL A 33 -60.134 4.572 7.393 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.392 3.722 7.204 1.00 0.00 C ATOM 459 CG2 VAL A 33 -59.104 4.277 6.301 1.00 0.00 C ATOM 0 H VAL A 33 -58.633 6.346 8.380 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.825 6.328 6.433 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.691 4.306 8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.118 2.667 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.079 3.900 8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.877 3.993 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.876 3.211 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.509 4.567 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.193 4.842 6.498 1.00 0.00 H new ATOM 469 N ILE A 34 -62.597 7.115 7.902 1.00 0.00 N ATOM 470 CA ILE A 34 -63.738 7.500 8.715 1.00 0.00 C ATOM 471 C ILE A 34 -64.559 6.254 9.055 1.00 0.00 C ATOM 472 O ILE A 34 -64.719 5.913 10.226 1.00 0.00 O ATOM 473 CB ILE A 34 -64.546 8.597 8.020 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.637 9.740 7.561 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.682 9.093 8.916 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.527 10.819 8.639 1.00 0.00 C ATOM 0 H ILE A 34 -62.628 7.448 6.939 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.405 7.931 9.659 1.00 0.00 H new ATOM 0 HB ILE A 34 -65.003 8.171 7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.646 9.350 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -64.031 10.177 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.240 9.872 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.349 8.264 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.267 9.497 9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.876 11.619 8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.517 11.223 8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.110 10.384 9.548 1.00 0.00 H new ATOM 488 N GLN A 35 -65.056 5.609 8.011 1.00 0.00 N ATOM 489 CA GLN A 35 -65.857 4.408 8.185 1.00 0.00 C ATOM 490 C GLN A 35 -65.739 3.509 6.952 1.00 0.00 C ATOM 491 O GLN A 35 -64.921 3.764 6.069 1.00 0.00 O ATOM 492 CB GLN A 35 -67.318 4.760 8.469 1.00 0.00 C ATOM 493 CG GLN A 35 -67.606 4.731 9.972 1.00 0.00 C ATOM 494 CD GLN A 35 -67.847 3.300 10.457 1.00 0.00 C ATOM 495 OE1 GLN A 35 -67.072 2.392 10.202 1.00 0.00 O ATOM 496 NE2 GLN A 35 -68.960 3.150 11.168 1.00 0.00 N ATOM 0 H GLN A 35 -64.920 5.894 7.041 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.475 3.861 9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.541 5.750 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -67.972 4.055 7.956 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.767 5.166 10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.480 5.345 10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -69.564 3.952 11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -69.210 2.232 11.537 1.00 0.00 H new ATOM 505 N SER A 36 -66.569 2.477 6.931 1.00 0.00 N ATOM 506 CA SER A 36 -66.568 1.538 5.822 1.00 0.00 C ATOM 507 C SER A 36 -67.999 1.306 5.332 1.00 0.00 C ATOM 508 O SER A 36 -68.958 1.603 6.043 1.00 0.00 O ATOM 509 CB SER A 36 -65.923 0.211 6.223 1.00 0.00 C ATOM 510 OG SER A 36 -66.647 -0.442 7.263 1.00 0.00 O ATOM 0 H SER A 36 -67.247 2.270 7.664 1.00 0.00 H new ATOM 0 HA SER A 36 -65.978 1.967 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 -65.869 -0.443 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 36 -64.899 0.390 6.551 1.00 0.00 H new ATOM 0 HG SER A 36 -66.204 -1.286 7.489 1.00 0.00 H new ATOM 516 N ARG A 37 -68.098 0.778 4.121 1.00 0.00 N ATOM 517 CA ARG A 37 -69.396 0.503 3.528 1.00 0.00 C ATOM 518 C ARG A 37 -69.243 -0.436 2.329 1.00 0.00 C ATOM 519 O ARG A 37 -68.133 -0.662 1.851 1.00 0.00 O ATOM 520 CB ARG A 37 -70.078 1.794 3.072 1.00 0.00 C ATOM 521 CG ARG A 37 -69.284 2.468 1.952 1.00 0.00 C ATOM 522 CD ARG A 37 -70.000 3.724 1.451 1.00 0.00 C ATOM 523 NE ARG A 37 -71.265 3.350 0.778 1.00 0.00 N ATOM 524 CZ ARG A 37 -72.255 4.212 0.509 1.00 0.00 C ATOM 525 NH1 ARG A 37 -72.134 5.501 0.852 1.00 0.00 N ATOM 526 NH2 ARG A 37 -73.367 3.784 -0.105 1.00 0.00 N ATOM 0 H ARG A 37 -67.301 0.533 3.534 1.00 0.00 H new ATOM 0 HA ARG A 37 -70.015 0.028 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.087 1.573 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.174 2.477 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.290 2.732 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.148 1.769 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -70.207 4.393 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.357 4.268 0.759 1.00 0.00 H new ATOM 0 HE ARG A 37 -71.390 2.376 0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -71.288 5.827 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -72.888 6.156 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -73.459 2.803 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -74.121 4.440 -0.310 1.00 0.00 H new ATOM 540 N VAL A 38 -70.375 -0.957 1.879 1.00 0.00 N ATOM 541 CA VAL A 38 -70.381 -1.866 0.745 1.00 0.00 C ATOM 542 C VAL A 38 -71.417 -1.393 -0.277 1.00 0.00 C ATOM 543 O VAL A 38 -72.452 -0.842 0.093 1.00 0.00 O ATOM 544 CB VAL A 38 -70.624 -3.299 1.224 1.00 0.00 C ATOM 545 CG1 VAL A 38 -71.214 -4.158 0.104 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.338 -3.919 1.773 1.00 0.00 C ATOM 0 H VAL A 38 -71.294 -0.767 2.279 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.411 -1.864 0.249 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.350 -3.263 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.377 -5.172 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -72.164 -3.732 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.522 -4.183 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.538 -4.937 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.579 -3.936 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -68.978 -3.326 2.614 1.00 0.00 H new ATOM 556 N ASN A 39 -71.102 -1.626 -1.542 1.00 0.00 N ATOM 557 CA ASN A 39 -71.992 -1.231 -2.620 1.00 0.00 C ATOM 558 C ASN A 39 -72.637 -2.478 -3.227 1.00 0.00 C ATOM 559 O ASN A 39 -71.967 -3.489 -3.435 1.00 0.00 O ATOM 560 CB ASN A 39 -71.227 -0.507 -3.730 1.00 0.00 C ATOM 561 CG ASN A 39 -71.648 0.961 -3.819 1.00 0.00 C ATOM 562 OD1 ASN A 39 -71.883 1.628 -2.825 1.00 0.00 O ATOM 563 ND2 ASN A 39 -71.730 1.425 -5.063 1.00 0.00 N ATOM 0 H ASN A 39 -70.242 -2.084 -1.845 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.745 -0.561 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -70.156 -0.571 -3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.411 -1.000 -4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -72.003 2.394 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -71.519 0.812 -5.851 1.00 0.00 H new ATOM 570 N ASP A 40 -73.930 -2.367 -3.493 1.00 0.00 N ATOM 571 CA ASP A 40 -74.673 -3.474 -4.072 1.00 0.00 C ATOM 572 C ASP A 40 -74.714 -3.315 -5.593 1.00 0.00 C ATOM 573 O ASP A 40 -74.645 -4.301 -6.326 1.00 0.00 O ATOM 574 CB ASP A 40 -76.114 -3.497 -3.560 1.00 0.00 C ATOM 575 CG ASP A 40 -76.459 -4.679 -2.652 1.00 0.00 C ATOM 576 OD1 ASP A 40 -75.850 -4.754 -1.563 1.00 0.00 O ATOM 577 OD2 ASP A 40 -77.323 -5.481 -3.067 1.00 0.00 O ATOM 0 H ASP A 40 -74.482 -1.528 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.174 -4.401 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.305 -2.572 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.788 -3.508 -4.417 1.00 0.00 H new ATOM 582 N GLN A 41 -74.825 -2.067 -6.023 1.00 0.00 N ATOM 583 CA GLN A 41 -74.876 -1.766 -7.443 1.00 0.00 C ATOM 584 C GLN A 41 -73.585 -2.218 -8.128 1.00 0.00 C ATOM 585 O GLN A 41 -73.621 -3.013 -9.066 1.00 0.00 O ATOM 586 CB GLN A 41 -75.130 -0.276 -7.680 1.00 0.00 C ATOM 587 CG GLN A 41 -76.123 0.281 -6.658 1.00 0.00 C ATOM 588 CD GLN A 41 -76.792 1.554 -7.180 1.00 0.00 C ATOM 589 OE1 GLN A 41 -76.313 2.660 -6.992 1.00 0.00 O ATOM 590 NE2 GLN A 41 -77.924 1.336 -7.844 1.00 0.00 N ATOM 0 H GLN A 41 -74.881 -1.252 -5.412 1.00 0.00 H new ATOM 0 HA GLN A 41 -75.709 -2.316 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -74.190 0.272 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -75.517 -0.125 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -76.883 -0.469 -6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -75.606 0.495 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -78.269 0.384 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -78.447 2.121 -8.232 1.00 0.00 H new ATOM 599 N GLU A 42 -72.475 -1.692 -7.633 1.00 0.00 N ATOM 600 CA GLU A 42 -71.174 -2.031 -8.185 1.00 0.00 C ATOM 601 C GLU A 42 -70.726 -3.405 -7.681 1.00 0.00 C ATOM 602 O GLU A 42 -70.153 -4.190 -8.435 1.00 0.00 O ATOM 603 CB GLU A 42 -70.138 -0.958 -7.848 1.00 0.00 C ATOM 604 CG GLU A 42 -69.908 -0.024 -9.038 1.00 0.00 C ATOM 605 CD GLU A 42 -68.808 -0.565 -9.954 1.00 0.00 C ATOM 606 OE1 GLU A 42 -69.152 -1.393 -10.826 1.00 0.00 O ATOM 607 OE2 GLU A 42 -67.649 -0.139 -9.763 1.00 0.00 O ATOM 0 H GLU A 42 -72.449 -1.033 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 42 -71.262 -2.075 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -70.475 -0.380 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.198 -1.431 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -70.834 0.087 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -69.632 0.968 -8.679 1.00 0.00 H new ATOM 614 N GLY A 43 -71.003 -3.652 -6.410 1.00 0.00 N ATOM 615 CA GLY A 43 -70.635 -4.917 -5.796 1.00 0.00 C ATOM 616 C GLY A 43 -69.167 -4.911 -5.365 1.00 0.00 C ATOM 617 O GLY A 43 -68.407 -5.810 -5.723 1.00 0.00 O ATOM 0 H GLY A 43 -71.478 -2.998 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.271 -5.104 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -70.808 -5.731 -6.500 1.00 0.00 H new ATOM 621 N ARG A 44 -68.811 -3.887 -4.603 1.00 0.00 N ATOM 622 CA ARG A 44 -67.447 -3.752 -4.120 1.00 0.00 C ATOM 623 C ARG A 44 -67.433 -3.050 -2.760 1.00 0.00 C ATOM 624 O ARG A 44 -68.459 -2.543 -2.309 1.00 0.00 O ATOM 625 CB ARG A 44 -66.590 -2.955 -5.106 1.00 0.00 C ATOM 626 CG ARG A 44 -67.157 -1.550 -5.315 1.00 0.00 C ATOM 627 CD ARG A 44 -66.532 -0.883 -6.542 1.00 0.00 C ATOM 628 NE ARG A 44 -66.389 0.571 -6.310 1.00 0.00 N ATOM 629 CZ ARG A 44 -65.540 1.360 -6.983 1.00 0.00 C ATOM 630 NH1 ARG A 44 -64.752 0.839 -7.933 1.00 0.00 N ATOM 631 NH2 ARG A 44 -65.478 2.669 -6.705 1.00 0.00 N ATOM 0 H ARG A 44 -69.443 -3.143 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.030 -4.754 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -65.568 -2.887 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -66.546 -3.479 -6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -68.239 -1.605 -5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -66.967 -0.942 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -65.557 -1.324 -6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -67.155 -1.060 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 44 -66.973 1.000 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -64.798 -0.158 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -64.106 1.439 -8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -66.077 3.066 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -64.832 3.269 -7.217 1.00 0.00 H new ATOM 645 N GLU A 45 -66.260 -3.044 -2.145 1.00 0.00 N ATOM 646 CA GLU A 45 -66.098 -2.413 -0.846 1.00 0.00 C ATOM 647 C GLU A 45 -65.597 -0.978 -1.012 1.00 0.00 C ATOM 648 O GLU A 45 -64.972 -0.647 -2.019 1.00 0.00 O ATOM 649 CB GLU A 45 -65.155 -3.225 0.044 1.00 0.00 C ATOM 650 CG GLU A 45 -65.828 -4.511 0.527 1.00 0.00 C ATOM 651 CD GLU A 45 -64.792 -5.606 0.791 1.00 0.00 C ATOM 652 OE1 GLU A 45 -64.320 -6.194 -0.206 1.00 0.00 O ATOM 653 OE2 GLU A 45 -64.495 -5.829 1.985 1.00 0.00 O ATOM 0 H GLU A 45 -65.412 -3.466 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.070 -2.382 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.249 -3.471 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -64.852 -2.625 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -66.391 -4.311 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.543 -4.854 -0.221 1.00 0.00 H new ATOM 660 N GLU A 46 -65.888 -0.163 -0.009 1.00 0.00 N ATOM 661 CA GLU A 46 -65.474 1.230 -0.031 1.00 0.00 C ATOM 662 C GLU A 46 -65.251 1.740 1.395 1.00 0.00 C ATOM 663 O GLU A 46 -65.910 1.287 2.330 1.00 0.00 O ATOM 664 CB GLU A 46 -66.499 2.094 -0.768 1.00 0.00 C ATOM 665 CG GLU A 46 -65.971 2.517 -2.141 1.00 0.00 C ATOM 666 CD GLU A 46 -67.049 3.254 -2.939 1.00 0.00 C ATOM 667 OE1 GLU A 46 -68.225 2.849 -2.813 1.00 0.00 O ATOM 668 OE2 GLU A 46 -66.673 4.206 -3.657 1.00 0.00 O ATOM 0 H GLU A 46 -66.406 -0.441 0.825 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.531 1.301 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.430 1.539 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.729 2.979 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -65.101 3.161 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -65.641 1.638 -2.694 1.00 0.00 H new ATOM 675 N PHE A 47 -64.320 2.674 1.516 1.00 0.00 N ATOM 676 CA PHE A 47 -64.002 3.251 2.811 1.00 0.00 C ATOM 677 C PHE A 47 -63.818 4.766 2.707 1.00 0.00 C ATOM 678 O PHE A 47 -63.000 5.243 1.921 1.00 0.00 O ATOM 679 CB PHE A 47 -62.686 2.619 3.270 1.00 0.00 C ATOM 680 CG PHE A 47 -62.770 1.110 3.508 1.00 0.00 C ATOM 681 CD1 PHE A 47 -62.593 0.248 2.471 1.00 0.00 C ATOM 682 CD2 PHE A 47 -63.021 0.631 4.755 1.00 0.00 C ATOM 683 CE1 PHE A 47 -62.670 -1.153 2.691 1.00 0.00 C ATOM 684 CE2 PHE A 47 -63.098 -0.770 4.975 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.921 -1.632 3.939 1.00 0.00 C ATOM 0 H PHE A 47 -63.775 3.046 0.738 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.813 3.059 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.919 2.816 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.364 3.104 4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -62.394 0.629 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -63.162 1.316 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -62.529 -1.838 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -63.297 -1.151 5.966 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.980 -2.697 4.107 1.00 0.00 H new ATOM 695 N TYR A 48 -64.592 5.481 3.510 1.00 0.00 N ATOM 696 CA TYR A 48 -64.524 6.932 3.518 1.00 0.00 C ATOM 697 C TYR A 48 -63.231 7.417 4.176 1.00 0.00 C ATOM 698 O TYR A 48 -63.161 7.544 5.398 1.00 0.00 O ATOM 699 CB TYR A 48 -65.716 7.405 4.353 1.00 0.00 C ATOM 700 CG TYR A 48 -66.111 8.862 4.104 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.155 9.354 2.815 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.425 9.684 5.167 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.527 10.725 2.580 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.797 11.055 4.932 1.00 0.00 C ATOM 705 CZ TYR A 48 -66.830 11.508 3.650 1.00 0.00 C ATOM 706 OH TYR A 48 -67.182 12.802 3.428 1.00 0.00 O ATOM 0 H TYR A 48 -65.270 5.082 4.160 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.544 7.323 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.573 6.766 4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.479 7.279 5.409 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -65.910 8.711 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.392 9.299 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -66.565 11.123 1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.044 11.709 5.755 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.372 13.241 4.283 1.00 0.00 H new ATOM 716 N VAL A 49 -62.238 7.675 3.337 1.00 0.00 N ATOM 717 CA VAL A 49 -60.951 8.143 3.822 1.00 0.00 C ATOM 718 C VAL A 49 -60.901 9.670 3.729 1.00 0.00 C ATOM 719 O VAL A 49 -61.336 10.249 2.735 1.00 0.00 O ATOM 720 CB VAL A 49 -59.821 7.459 3.050 1.00 0.00 C ATOM 721 CG1 VAL A 49 -60.022 5.943 3.012 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.697 8.032 1.637 1.00 0.00 C ATOM 0 H VAL A 49 -62.299 7.569 2.324 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.817 7.877 4.870 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.887 7.659 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.205 5.481 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -60.036 5.552 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -60.968 5.714 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.887 7.528 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.632 7.877 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.484 9.099 1.695 1.00 0.00 H new ATOM 732 N HIS A 50 -60.365 10.277 4.777 1.00 0.00 N ATOM 733 CA HIS A 50 -60.252 11.725 4.826 1.00 0.00 C ATOM 734 C HIS A 50 -58.784 12.130 4.677 1.00 0.00 C ATOM 735 O HIS A 50 -57.934 11.697 5.454 1.00 0.00 O ATOM 736 CB HIS A 50 -60.893 12.277 6.101 1.00 0.00 C ATOM 737 CG HIS A 50 -60.630 13.746 6.334 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.482 14.405 6.664 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.619 14.710 6.233 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.755 15.701 6.759 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -61.079 15.891 6.492 1.00 0.00 N flip ATOM 0 H HIS A 50 -60.004 9.793 5.599 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.801 12.165 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -61.970 12.114 6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.522 11.712 6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.655 14.529 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -59.046 16.477 7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -61.568 16.786 6.492 1.00 0.00 H new ATOM 749 N TYR A 51 -58.531 12.958 3.674 1.00 0.00 N ATOM 750 CA TYR A 51 -57.180 13.426 3.413 1.00 0.00 C ATOM 751 C TYR A 51 -56.815 14.590 4.338 1.00 0.00 C ATOM 752 O TYR A 51 -57.008 15.752 3.984 1.00 0.00 O ATOM 753 CB TYR A 51 -57.178 13.921 1.965 1.00 0.00 C ATOM 754 CG TYR A 51 -57.535 12.844 0.939 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.552 12.016 0.437 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.841 12.701 0.515 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.888 11.002 -0.529 1.00 0.00 C ATOM 758 CE2 TYR A 51 -59.177 11.687 -0.451 1.00 0.00 C ATOM 759 CZ TYR A 51 -58.184 10.888 -0.925 1.00 0.00 C ATOM 760 OH TYR A 51 -58.501 9.931 -1.838 1.00 0.00 O ATOM 0 H TYR A 51 -59.238 13.317 3.033 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.457 12.628 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -57.885 14.745 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.191 14.320 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.530 12.128 0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.610 13.349 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -56.128 10.347 -0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -60.195 11.564 -0.791 1.00 0.00 H new ATOM 0 HH TYR A 51 -57.693 9.659 -2.321 1.00 0.00 H new ATOM 770 N VAL A 52 -56.295 14.236 5.504 1.00 0.00 N ATOM 771 CA VAL A 52 -55.901 15.236 6.482 1.00 0.00 C ATOM 772 C VAL A 52 -54.945 16.235 5.827 1.00 0.00 C ATOM 773 O VAL A 52 -53.861 15.862 5.381 1.00 0.00 O ATOM 774 CB VAL A 52 -55.303 14.555 7.714 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.290 13.558 8.323 1.00 0.00 C ATOM 776 CG2 VAL A 52 -53.975 13.875 7.374 1.00 0.00 C ATOM 0 H VAL A 52 -56.137 13.271 5.794 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.770 15.797 6.827 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.104 15.325 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -55.840 13.088 9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.199 14.081 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.536 12.793 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.571 13.399 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.139 13.122 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.268 14.620 7.009 1.00 0.00 H new ATOM 906 N GLU A 60 -63.563 11.245 0.285 1.00 0.00 N ATOM 907 CA GLU A 60 -64.459 10.390 -0.475 1.00 0.00 C ATOM 908 C GLU A 60 -64.203 8.920 -0.138 1.00 0.00 C ATOM 909 O GLU A 60 -63.279 8.602 0.609 1.00 0.00 O ATOM 910 CB GLU A 60 -64.313 10.642 -1.977 1.00 0.00 C ATOM 911 CG GLU A 60 -62.930 10.215 -2.473 1.00 0.00 C ATOM 912 CD GLU A 60 -62.550 10.967 -3.750 1.00 0.00 C ATOM 913 OE1 GLU A 60 -63.246 10.749 -4.765 1.00 0.00 O ATOM 914 OE2 GLU A 60 -61.572 11.743 -3.682 1.00 0.00 O ATOM 0 HA GLU A 60 -65.485 10.632 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -65.083 10.092 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.469 11.700 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.187 10.407 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.923 9.142 -2.663 1.00 0.00 H new ATOM 921 N TRP A 61 -65.038 8.061 -0.706 1.00 0.00 N ATOM 922 CA TRP A 61 -64.914 6.632 -0.475 1.00 0.00 C ATOM 923 C TRP A 61 -63.881 6.082 -1.460 1.00 0.00 C ATOM 924 O TRP A 61 -63.942 6.369 -2.654 1.00 0.00 O ATOM 925 CB TRP A 61 -66.273 5.939 -0.585 1.00 0.00 C ATOM 926 CG TRP A 61 -67.372 6.585 0.262 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.100 7.673 -0.022 1.00 0.00 C ATOM 928 CD2 TRP A 61 -67.841 6.134 1.550 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.000 7.957 0.985 1.00 0.00 N ATOM 930 CE2 TRP A 61 -68.837 6.991 1.971 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.436 5.040 2.334 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.512 6.842 3.189 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.121 4.905 3.548 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.126 5.759 3.986 1.00 0.00 C ATOM 0 H TRP A 61 -65.803 8.328 -1.326 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.568 6.434 0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.586 5.939 -1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -66.163 4.897 -0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -67.996 8.255 -0.926 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.662 8.732 1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.658 4.358 2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.289 7.526 3.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -67.849 4.079 4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.607 5.587 4.938 1.00 0.00 H new ATOM 945 N VAL A 62 -62.955 5.302 -0.922 1.00 0.00 N ATOM 946 CA VAL A 62 -61.909 4.709 -1.739 1.00 0.00 C ATOM 947 C VAL A 62 -62.059 3.186 -1.726 1.00 0.00 C ATOM 948 O VAL A 62 -62.909 2.649 -1.017 1.00 0.00 O ATOM 949 CB VAL A 62 -60.536 5.179 -1.254 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.475 6.706 -1.178 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.186 4.548 0.094 1.00 0.00 C ATOM 0 H VAL A 62 -62.907 5.067 0.069 1.00 0.00 H new ATOM 0 HA VAL A 62 -62.002 5.036 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.793 4.850 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.489 7.014 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.659 7.127 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.233 7.066 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.205 4.898 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -60.934 4.832 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.169 3.463 -0.006 1.00 0.00 H new ATOM 961 N ASP A 63 -61.220 2.534 -2.517 1.00 0.00 N ATOM 962 CA ASP A 63 -61.249 1.084 -2.605 1.00 0.00 C ATOM 963 C ASP A 63 -60.091 0.505 -1.789 1.00 0.00 C ATOM 964 O ASP A 63 -59.177 1.231 -1.399 1.00 0.00 O ATOM 965 CB ASP A 63 -61.086 0.617 -4.053 1.00 0.00 C ATOM 966 CG ASP A 63 -62.341 0.745 -4.918 1.00 0.00 C ATOM 967 OD1 ASP A 63 -63.320 1.338 -4.414 1.00 0.00 O ATOM 968 OD2 ASP A 63 -62.293 0.248 -6.064 1.00 0.00 O ATOM 0 H ASP A 63 -60.516 2.983 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.210 0.742 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.284 1.191 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -60.770 -0.426 -4.049 1.00 0.00 H new ATOM 973 N LYS A 64 -60.168 -0.796 -1.553 1.00 0.00 N ATOM 974 CA LYS A 64 -59.138 -1.481 -0.790 1.00 0.00 C ATOM 975 C LYS A 64 -57.816 -1.422 -1.559 1.00 0.00 C ATOM 976 O LYS A 64 -56.752 -1.268 -0.960 1.00 0.00 O ATOM 977 CB LYS A 64 -59.584 -2.902 -0.443 1.00 0.00 C ATOM 978 CG LYS A 64 -60.790 -2.884 0.499 1.00 0.00 C ATOM 979 CD LYS A 64 -60.976 -4.242 1.178 1.00 0.00 C ATOM 980 CE LYS A 64 -60.873 -4.113 2.699 1.00 0.00 C ATOM 981 NZ LYS A 64 -61.818 -5.039 3.363 1.00 0.00 N ATOM 0 H LYS A 64 -60.928 -1.394 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 64 -58.975 -0.981 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.839 -3.440 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.760 -3.441 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.654 -2.111 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.689 -2.627 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.948 -4.657 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -60.221 -4.940 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -59.855 -4.331 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -61.089 -3.087 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -62.016 -4.701 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -62.705 -5.078 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -61.398 -5.989 3.409 1.00 0.00 H new ATOM 995 N ASN A 65 -57.926 -1.547 -2.873 1.00 0.00 N ATOM 996 CA ASN A 65 -56.753 -1.509 -3.729 1.00 0.00 C ATOM 997 C ASN A 65 -56.144 -0.106 -3.692 1.00 0.00 C ATOM 998 O ASN A 65 -54.929 0.044 -3.578 1.00 0.00 O ATOM 999 CB ASN A 65 -57.119 -1.827 -5.180 1.00 0.00 C ATOM 1000 CG ASN A 65 -56.102 -2.784 -5.806 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -55.608 -3.704 -5.176 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -55.819 -2.516 -7.077 1.00 0.00 N ATOM 0 H ASN A 65 -58.810 -1.675 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 65 -56.046 -2.254 -3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -58.113 -2.272 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -57.160 -0.904 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -55.152 -3.097 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -56.269 -1.729 -7.545 1.00 0.00 H new ATOM 1009 N ARG A 66 -57.017 0.886 -3.791 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.580 2.271 -3.770 1.00 0.00 C ATOM 1011 C ARG A 66 -55.864 2.582 -2.454 1.00 0.00 C ATOM 1012 O ARG A 66 -55.061 3.512 -2.385 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.766 3.225 -3.934 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.195 3.318 -5.400 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.301 4.359 -5.582 1.00 0.00 C ATOM 1016 NE ARG A 66 -59.859 4.272 -6.950 1.00 0.00 N ATOM 1017 CZ ARG A 66 -60.961 4.917 -7.355 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -61.630 5.701 -6.500 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -61.393 4.778 -8.616 1.00 0.00 N ATOM 0 H ARG A 66 -58.024 0.758 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 66 -55.893 2.415 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.603 2.878 -3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.495 4.215 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.337 3.582 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -58.547 2.345 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -60.090 4.196 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -58.903 5.358 -5.406 1.00 0.00 H new ATOM 0 HE ARG A 66 -59.374 3.684 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -61.300 5.807 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -62.469 6.192 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -60.883 4.181 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -62.232 5.269 -8.925 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.179 1.787 -1.443 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.575 1.965 -0.134 1.00 0.00 C ATOM 1035 C LEU A 67 -54.311 1.108 -0.039 1.00 0.00 C ATOM 1036 O LEU A 67 -54.007 0.340 -0.950 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.595 1.680 0.970 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.762 2.665 1.076 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -59.005 1.982 1.649 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.364 3.902 1.882 1.00 0.00 C ATOM 0 H LEU A 67 -56.845 1.017 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 67 -55.269 3.002 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -57.002 0.681 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -56.071 1.664 1.926 1.00 0.00 H new ATOM 0 HG LEU A 67 -58.015 3.004 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.819 2.704 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -59.300 1.159 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.782 1.596 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.211 4.585 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -57.068 3.602 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.528 4.402 1.392 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.608 1.269 1.073 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.383 0.520 1.298 1.00 0.00 C ATOM 1054 C ALA A 68 -52.644 -0.575 2.335 1.00 0.00 C ATOM 1055 O ALA A 68 -52.769 -0.291 3.525 1.00 0.00 O ATOM 1056 CB ALA A 68 -51.271 1.478 1.730 1.00 0.00 C ATOM 0 H ALA A 68 -53.863 1.907 1.827 1.00 0.00 H new ATOM 0 HA ALA A 68 -52.056 0.034 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -50.352 0.916 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -51.105 2.219 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -51.563 1.982 2.651 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.719 -1.804 1.845 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.963 -2.942 2.714 1.00 0.00 C ATOM 1064 C LEU A 69 -51.719 -3.832 2.742 1.00 0.00 C ATOM 1065 O LEU A 69 -51.510 -4.643 1.841 1.00 0.00 O ATOM 1066 CB LEU A 69 -54.235 -3.678 2.288 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.492 -2.817 2.143 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.529 -3.505 1.254 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -56.065 -2.448 3.513 1.00 0.00 C ATOM 0 H LEU A 69 -52.615 -2.036 0.857 1.00 0.00 H new ATOM 0 HA LEU A 69 -53.141 -2.609 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -54.044 -4.170 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.438 -4.463 3.017 1.00 0.00 H new ATOM 0 HG LEU A 69 -55.213 -1.886 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.412 -2.872 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -56.105 -3.673 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.810 -4.461 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.957 -1.836 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.325 -3.357 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.321 -1.888 4.079 1.00 0.00 H new ATOM 1464 N ARG A 94 -34.932 -24.942 5.906 1.00 0.00 N ATOM 1465 CA ARG A 94 -34.462 -25.840 4.865 1.00 0.00 C ATOM 1466 C ARG A 94 -33.165 -25.308 4.251 1.00 0.00 C ATOM 1467 O ARG A 94 -33.000 -24.099 4.092 1.00 0.00 O ATOM 1468 CB ARG A 94 -35.510 -26.002 3.763 1.00 0.00 C ATOM 1469 CG ARG A 94 -35.716 -27.478 3.415 1.00 0.00 C ATOM 1470 CD ARG A 94 -37.080 -27.702 2.758 1.00 0.00 C ATOM 1471 NE ARG A 94 -37.384 -29.149 2.704 1.00 0.00 N ATOM 1472 CZ ARG A 94 -38.306 -29.693 1.898 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -39.018 -28.914 1.073 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -38.515 -31.017 1.917 1.00 0.00 N ATOM 0 HA ARG A 94 -34.280 -26.812 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -36.455 -25.566 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -35.196 -25.455 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -34.925 -27.810 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -35.640 -28.082 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -37.854 -27.180 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -37.081 -27.284 1.751 1.00 0.00 H new ATOM 0 HE ARG A 94 -36.859 -29.771 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -38.858 -27.907 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -39.720 -29.328 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -37.972 -31.610 2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -39.217 -31.431 1.304 1.00 0.00 H new ATOM 1488 N LYS A 95 -32.279 -26.236 3.923 1.00 0.00 N ATOM 1489 CA LYS A 95 -31.002 -25.876 3.330 1.00 0.00 C ATOM 1490 C LYS A 95 -30.706 -26.814 2.159 1.00 0.00 C ATOM 1491 O LYS A 95 -31.059 -27.992 2.197 1.00 0.00 O ATOM 1492 CB LYS A 95 -29.903 -25.856 4.395 1.00 0.00 C ATOM 1493 CG LYS A 95 -28.644 -25.163 3.870 1.00 0.00 C ATOM 1494 CD LYS A 95 -27.439 -25.469 4.762 1.00 0.00 C ATOM 1495 CE LYS A 95 -26.561 -26.559 4.144 1.00 0.00 C ATOM 1496 NZ LYS A 95 -27.126 -27.898 4.423 1.00 0.00 N ATOM 0 H LYS A 95 -32.420 -27.237 4.057 1.00 0.00 H new ATOM 0 HA LYS A 95 -31.041 -24.864 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -30.263 -25.339 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -29.663 -26.876 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -28.440 -25.493 2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -28.807 -24.086 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -26.851 -24.563 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -27.782 -25.788 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -26.485 -26.407 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -25.550 -26.493 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -26.357 -28.557 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -27.788 -27.836 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -27.631 -28.244 3.582 1.00 0.00 H new ATOM 1510 N ILE A 96 -30.060 -26.257 1.145 1.00 0.00 N ATOM 1511 CA ILE A 96 -29.712 -27.029 -0.036 1.00 0.00 C ATOM 1512 C ILE A 96 -28.854 -28.226 0.377 1.00 0.00 C ATOM 1513 O ILE A 96 -28.404 -28.307 1.519 1.00 0.00 O ATOM 1514 CB ILE A 96 -29.054 -26.134 -1.087 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -28.881 -26.879 -2.412 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -27.729 -25.566 -0.572 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -28.689 -25.899 -3.571 1.00 0.00 C ATOM 0 H ILE A 96 -29.768 -25.280 1.117 1.00 0.00 H new ATOM 0 HA ILE A 96 -30.610 -27.428 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 96 -29.715 -25.289 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -28.021 -27.546 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -29.755 -27.503 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -27.282 -24.933 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -27.911 -24.975 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -27.049 -26.385 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -28.568 -26.455 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -29.561 -25.250 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -27.800 -25.294 -3.392 1.00 0.00 H new ATOM 1529 N THR A 97 -28.652 -29.126 -0.574 1.00 0.00 N ATOM 1530 CA THR A 97 -27.855 -30.315 -0.323 1.00 0.00 C ATOM 1531 C THR A 97 -26.981 -30.637 -1.537 1.00 0.00 C ATOM 1532 O THR A 97 -27.194 -30.096 -2.620 1.00 0.00 O ATOM 1533 CB THR A 97 -28.807 -31.450 0.059 1.00 0.00 C ATOM 1534 OG1 THR A 97 -27.941 -32.524 0.415 1.00 0.00 O ATOM 1535 CG2 THR A 97 -29.591 -31.985 -1.141 1.00 0.00 C ATOM 0 H THR A 97 -29.027 -29.056 -1.520 1.00 0.00 H new ATOM 0 HA THR A 97 -27.163 -30.160 0.504 1.00 0.00 H new ATOM 0 HB THR A 97 -29.504 -31.099 0.820 1.00 0.00 H new ATOM 0 HG1 THR A 97 -28.476 -33.302 0.678 1.00 0.00 H new ATOM 0 HG21 THR A 97 -30.251 -32.789 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 97 -30.185 -31.181 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 97 -28.896 -32.367 -1.889 1.00 0.00 H new ATOM 1543 N ARG A 98 -26.016 -31.517 -1.314 1.00 0.00 N ATOM 1544 CA ARG A 98 -25.109 -31.918 -2.376 1.00 0.00 C ATOM 1545 C ARG A 98 -24.466 -33.266 -2.044 1.00 0.00 C ATOM 1546 O ARG A 98 -24.019 -33.485 -0.919 1.00 0.00 O ATOM 1547 CB ARG A 98 -24.009 -30.874 -2.584 1.00 0.00 C ATOM 1548 CG ARG A 98 -23.416 -30.976 -3.990 1.00 0.00 C ATOM 1549 CD ARG A 98 -22.352 -29.900 -4.216 1.00 0.00 C ATOM 1550 NE ARG A 98 -22.991 -28.646 -4.675 1.00 0.00 N ATOM 1551 CZ ARG A 98 -22.315 -27.539 -5.014 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -20.977 -27.524 -4.947 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -22.978 -26.447 -5.419 1.00 0.00 N ATOM 0 H ARG A 98 -25.842 -31.964 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 98 -25.691 -32.005 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -24.417 -29.875 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -23.223 -31.016 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -22.976 -31.963 -4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -24.208 -30.870 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -21.802 -29.721 -3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -21.629 -30.242 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 98 -24.009 -28.623 -4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -20.472 -28.355 -4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -20.463 -26.682 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -23.997 -26.458 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -22.464 -25.605 -5.677 1.00 0.00 H new ATOM 1567 N ASN A 99 -24.441 -34.135 -3.044 1.00 0.00 N ATOM 1568 CA ASN A 99 -23.860 -35.456 -2.873 1.00 0.00 C ATOM 1569 C ASN A 99 -22.784 -35.677 -3.937 1.00 0.00 C ATOM 1570 O ASN A 99 -22.670 -34.897 -4.882 1.00 0.00 O ATOM 1571 CB ASN A 99 -24.919 -36.548 -3.037 1.00 0.00 C ATOM 1572 CG ASN A 99 -25.052 -37.379 -1.759 1.00 0.00 C ATOM 1573 OD1 ASN A 99 -24.507 -37.054 -0.717 1.00 0.00 O ATOM 1574 ND2 ASN A 99 -25.806 -38.466 -1.897 1.00 0.00 N ATOM 0 H ASN A 99 -24.814 -33.950 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 99 -23.437 -35.511 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -25.879 -36.094 -3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -24.651 -37.197 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -25.957 -39.086 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -26.233 -38.679 -2.798 1.00 0.00 H new ATOM 1581 N GLN A 100 -22.022 -36.745 -3.749 1.00 0.00 N ATOM 1582 CA GLN A 100 -20.958 -37.078 -4.682 1.00 0.00 C ATOM 1583 C GLN A 100 -20.756 -38.594 -4.736 1.00 0.00 C ATOM 1584 O GLN A 100 -21.400 -39.337 -3.996 1.00 0.00 O ATOM 1585 CB GLN A 100 -19.657 -36.365 -4.308 1.00 0.00 C ATOM 1586 CG GLN A 100 -19.019 -35.711 -5.535 1.00 0.00 C ATOM 1587 CD GLN A 100 -18.694 -34.240 -5.266 1.00 0.00 C ATOM 1588 OE1 GLN A 100 -18.129 -33.879 -4.246 1.00 0.00 O ATOM 1589 NE2 GLN A 100 -19.082 -33.414 -6.234 1.00 0.00 N ATOM 0 H GLN A 100 -22.120 -37.390 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 100 -21.250 -36.733 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -19.858 -35.607 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.960 -37.079 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.108 -36.245 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.696 -35.788 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.550 -33.783 -7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.911 -32.412 -6.148 1.00 0.00 H new ATOM 1598 N LYS A 101 -19.860 -39.008 -5.620 1.00 0.00 N ATOM 1599 CA LYS A 101 -19.565 -40.422 -5.780 1.00 0.00 C ATOM 1600 C LYS A 101 -18.099 -40.590 -6.183 1.00 0.00 C ATOM 1601 O LYS A 101 -17.385 -39.606 -6.368 1.00 0.00 O ATOM 1602 CB LYS A 101 -20.549 -41.067 -6.758 1.00 0.00 C ATOM 1603 CG LYS A 101 -20.369 -40.504 -8.169 1.00 0.00 C ATOM 1604 CD LYS A 101 -20.804 -41.521 -9.226 1.00 0.00 C ATOM 1605 CE LYS A 101 -20.094 -41.267 -10.557 1.00 0.00 C ATOM 1606 NZ LYS A 101 -20.854 -41.872 -11.673 1.00 0.00 N ATOM 0 H LYS A 101 -19.329 -38.389 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 101 -19.699 -40.948 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.399 -42.147 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.570 -40.892 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -20.953 -39.590 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -19.324 -40.235 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -20.582 -42.530 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -21.883 -41.463 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -19.988 -40.195 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -19.088 -41.686 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -20.358 -41.690 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -20.933 -42.898 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -21.805 -41.453 -11.712 1.00 0.00 H new ATOM 1620 N ARG A 102 -17.693 -41.845 -6.306 1.00 0.00 N ATOM 1621 CA ARG A 102 -16.324 -42.155 -6.684 1.00 0.00 C ATOM 1622 C ARG A 102 -16.109 -43.670 -6.702 1.00 0.00 C ATOM 1623 O ARG A 102 -16.775 -44.404 -5.974 1.00 0.00 O ATOM 1624 CB ARG A 102 -15.328 -41.517 -5.714 1.00 0.00 C ATOM 1625 CG ARG A 102 -14.339 -40.617 -6.458 1.00 0.00 C ATOM 1626 CD ARG A 102 -12.950 -41.256 -6.513 1.00 0.00 C ATOM 1627 NE ARG A 102 -11.909 -40.204 -6.514 1.00 0.00 N ATOM 1628 CZ ARG A 102 -10.619 -40.425 -6.801 1.00 0.00 C ATOM 1629 NH1 ARG A 102 -10.203 -41.660 -7.112 1.00 0.00 N ATOM 1630 NH2 ARG A 102 -9.744 -39.410 -6.777 1.00 0.00 N ATOM 0 H ARG A 102 -18.288 -42.659 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 102 -16.154 -41.749 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.865 -40.933 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.785 -42.296 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.699 -40.434 -7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.278 -39.649 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.810 -41.917 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.859 -41.871 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.191 -39.252 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.868 -42.433 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.221 -41.827 -7.330 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.060 -38.470 -6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.762 -39.578 -6.995 1.00 0.00 H new ATOM 1644 N LYS A 103 -15.175 -44.093 -7.542 1.00 0.00 N ATOM 1645 CA LYS A 103 -14.864 -45.507 -7.665 1.00 0.00 C ATOM 1646 C LYS A 103 -13.373 -45.672 -7.964 1.00 0.00 C ATOM 1647 O LYS A 103 -12.686 -44.698 -8.271 1.00 0.00 O ATOM 1648 CB LYS A 103 -15.776 -46.169 -8.699 1.00 0.00 C ATOM 1649 CG LYS A 103 -16.552 -47.333 -8.081 1.00 0.00 C ATOM 1650 CD LYS A 103 -17.331 -48.103 -9.150 1.00 0.00 C ATOM 1651 CE LYS A 103 -17.579 -49.548 -8.714 1.00 0.00 C ATOM 1652 NZ LYS A 103 -18.536 -49.592 -7.586 1.00 0.00 N ATOM 0 H LYS A 103 -14.624 -43.481 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 103 -15.060 -46.023 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -16.474 -45.433 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -15.180 -46.529 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.861 -48.007 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.241 -46.955 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -18.284 -47.608 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -16.776 -48.093 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.969 -50.125 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.638 -50.012 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.719 -50.582 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -18.135 -49.087 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -19.428 -49.138 -7.869 1.00 0.00 H new ATOM 1666 N HIS A 104 -12.916 -46.911 -7.865 1.00 0.00 N ATOM 1667 CA HIS A 104 -11.518 -47.216 -8.122 1.00 0.00 C ATOM 1668 C HIS A 104 -11.304 -48.730 -8.063 1.00 0.00 C ATOM 1669 O HIS A 104 -12.258 -49.490 -7.904 1.00 0.00 O ATOM 1670 CB HIS A 104 -10.609 -46.451 -7.159 1.00 0.00 C ATOM 1671 CG HIS A 104 -9.686 -45.467 -7.836 1.00 0.00 C ATOM 1672 ND1 HIS A 104 -9.356 -45.314 -9.151 1.00 0.00 N flip ATOM 1673 CD2 HIS A 104 -8.983 -44.497 -7.142 1.00 0.00 C flip ATOM 1674 CE1 HIS A 104 -8.500 -44.305 -9.255 1.00 0.00 C flip ATOM 1675 NE2 HIS A 104 -8.267 -43.798 -8.010 1.00 0.00 N flip ATOM 0 H HIS A 104 -13.488 -47.716 -7.610 1.00 0.00 H new ATOM 0 HA HIS A 104 -11.248 -46.884 -9.125 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -11.228 -45.916 -6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -10.010 -47.166 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -9.013 -44.337 -6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -8.061 -43.945 -10.173 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -7.650 -43.017 -7.787 1.00 0.00 H new ATOM 1683 N ASP A 105 -10.046 -49.123 -8.193 1.00 0.00 N ATOM 1684 CA ASP A 105 -9.694 -50.532 -8.156 1.00 0.00 C ATOM 1685 C ASP A 105 -8.218 -50.695 -8.526 1.00 0.00 C ATOM 1686 O ASP A 105 -7.584 -49.751 -8.993 1.00 0.00 O ATOM 1687 CB ASP A 105 -10.524 -51.334 -9.161 1.00 0.00 C ATOM 1688 CG ASP A 105 -11.151 -52.614 -8.606 1.00 0.00 C ATOM 1689 OD1 ASP A 105 -11.428 -52.629 -7.388 1.00 0.00 O ATOM 1690 OD2 ASP A 105 -11.339 -53.550 -9.414 1.00 0.00 O ATOM 0 H ASP A 105 -9.257 -48.490 -8.324 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.890 -50.902 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.319 -50.695 -9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.889 -51.596 -10.007 1.00 0.00 H new ATOM 1695 N GLU A 106 -7.715 -51.900 -8.304 1.00 0.00 N ATOM 1696 CA GLU A 106 -6.326 -52.199 -8.608 1.00 0.00 C ATOM 1697 C GLU A 106 -6.111 -53.712 -8.675 1.00 0.00 C ATOM 1698 O GLU A 106 -6.732 -54.465 -7.927 1.00 0.00 O ATOM 1699 CB GLU A 106 -5.390 -51.557 -7.582 1.00 0.00 C ATOM 1700 CG GLU A 106 -3.935 -51.620 -8.052 1.00 0.00 C ATOM 1701 CD GLU A 106 -2.982 -51.784 -6.867 1.00 0.00 C ATOM 1702 OE1 GLU A 106 -2.759 -50.768 -6.173 1.00 0.00 O ATOM 1703 OE2 GLU A 106 -2.497 -52.921 -6.681 1.00 0.00 O ATOM 0 H GLU A 106 -8.245 -52.681 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.088 -51.775 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.679 -50.519 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.489 -52.068 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.808 -52.453 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.687 -50.711 -8.600 1.00 0.00 H new ATOM 1710 N ILE A 107 -5.228 -54.113 -9.579 1.00 0.00 N ATOM 1711 CA ILE A 107 -4.924 -55.523 -9.753 1.00 0.00 C ATOM 1712 C ILE A 107 -3.992 -55.982 -8.630 1.00 0.00 C ATOM 1713 O ILE A 107 -3.657 -55.203 -7.739 1.00 0.00 O ATOM 1714 CB ILE A 107 -4.370 -55.781 -11.156 1.00 0.00 C ATOM 1715 CG1 ILE A 107 -3.051 -55.035 -11.371 1.00 0.00 C ATOM 1716 CG2 ILE A 107 -5.406 -55.435 -12.227 1.00 0.00 C ATOM 1717 CD1 ILE A 107 -1.866 -56.002 -11.356 1.00 0.00 C ATOM 0 H ILE A 107 -4.714 -53.486 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.832 -56.121 -9.678 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.156 -56.846 -11.248 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.080 -54.504 -12.323 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -2.922 -54.284 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -4.987 -55.628 -13.215 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.295 -56.049 -12.085 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -5.675 -54.382 -12.146 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.941 -55.446 -11.511 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.826 -56.513 -10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.986 -56.737 -12.152 1.00 0.00 H new ATOM 1729 N ASN A 108 -3.599 -57.245 -8.709 1.00 0.00 N ATOM 1730 CA ASN A 108 -2.712 -57.817 -7.711 1.00 0.00 C ATOM 1731 C ASN A 108 -2.171 -59.154 -8.221 1.00 0.00 C ATOM 1732 O ASN A 108 -2.749 -59.758 -9.123 1.00 0.00 O ATOM 1733 CB ASN A 108 -3.455 -58.077 -6.399 1.00 0.00 C ATOM 1734 CG ASN A 108 -2.733 -57.421 -5.220 1.00 0.00 C ATOM 1735 OD1 ASN A 108 -1.613 -56.950 -5.329 1.00 0.00 O ATOM 1736 ND2 ASN A 108 -3.435 -57.417 -4.090 1.00 0.00 N ATOM 0 H ASN A 108 -3.879 -57.888 -9.449 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.903 -57.109 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -4.471 -57.689 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.535 -59.151 -6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.040 -57.002 -3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.368 -57.829 -4.068 1.00 0.00 H new ATOM 1743 N HIS A 109 -1.067 -59.577 -7.622 1.00 0.00 N ATOM 1744 CA HIS A 109 -0.442 -60.831 -8.004 1.00 0.00 C ATOM 1745 C HIS A 109 0.660 -61.181 -7.003 1.00 0.00 C ATOM 1746 O HIS A 109 1.431 -60.314 -6.594 1.00 0.00 O ATOM 1747 CB HIS A 109 0.065 -60.768 -9.446 1.00 0.00 C ATOM 1748 CG HIS A 109 0.077 -62.102 -10.153 1.00 0.00 C ATOM 1749 ND1 HIS A 109 0.521 -63.325 -9.741 1.00 0.00 N flip ATOM 1750 CD2 HIS A 109 -0.409 -62.275 -11.437 1.00 0.00 C flip ATOM 1751 CE1 HIS A 109 0.316 -64.197 -10.721 1.00 0.00 C flip ATOM 1752 NE2 HIS A 109 -0.260 -63.548 -11.773 1.00 0.00 N flip ATOM 0 H HIS A 109 -0.590 -59.073 -6.875 1.00 0.00 H new ATOM 0 HA HIS A 109 -1.180 -61.633 -7.974 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -0.560 -60.075 -10.010 1.00 0.00 H new ATOM 0 HB3 HIS A 109 1.075 -60.359 -9.447 1.00 0.00 H new ATOM 0 HD1 HIS A 109 0.939 -63.534 -8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.837 -61.503 -12.060 1.00 0.00 H new ATOM 0 HE1 HIS A 109 0.565 -65.248 -10.690 1.00 0.00 H new ATOM 1760 N VAL A 110 0.701 -62.454 -6.637 1.00 0.00 N ATOM 1761 CA VAL A 110 1.696 -62.930 -5.691 1.00 0.00 C ATOM 1762 C VAL A 110 2.702 -63.822 -6.422 1.00 0.00 C ATOM 1763 O VAL A 110 2.353 -64.490 -7.394 1.00 0.00 O ATOM 1764 CB VAL A 110 1.010 -63.636 -4.520 1.00 0.00 C ATOM 1765 CG1 VAL A 110 2.007 -64.490 -3.735 1.00 0.00 C ATOM 1766 CG2 VAL A 110 0.312 -62.628 -3.606 1.00 0.00 C ATOM 0 H VAL A 110 0.061 -63.171 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 110 2.251 -62.093 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 110 0.249 -64.301 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.494 -64.981 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 110 2.438 -65.244 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.801 -63.854 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.168 -63.156 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.046 -61.927 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.441 -62.082 -4.174 1.00 0.00 H new ATOM 1776 N GLN A 111 3.930 -63.806 -5.924 1.00 0.00 N ATOM 1777 CA GLN A 111 4.988 -64.606 -6.517 1.00 0.00 C ATOM 1778 C GLN A 111 4.655 -66.095 -6.403 1.00 0.00 C ATOM 1779 O GLN A 111 3.761 -66.479 -5.651 1.00 0.00 O ATOM 1780 CB GLN A 111 6.339 -64.294 -5.870 1.00 0.00 C ATOM 1781 CG GLN A 111 6.304 -64.577 -4.366 1.00 0.00 C ATOM 1782 CD GLN A 111 6.178 -66.077 -4.093 1.00 0.00 C ATOM 1783 OE1 GLN A 111 5.301 -66.532 -3.377 1.00 0.00 O ATOM 1784 NE2 GLN A 111 7.101 -66.817 -4.701 1.00 0.00 N ATOM 0 H GLN A 111 4.216 -63.252 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 111 5.061 -64.351 -7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.118 -64.895 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 111 6.596 -63.249 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 111 7.211 -64.194 -3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 111 5.465 -64.049 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.807 -66.372 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.103 -67.830 -4.581 1.00 0.00 H new ATOM 1793 N LYS A 112 5.394 -66.893 -7.160 1.00 0.00 N ATOM 1794 CA LYS A 112 5.188 -68.331 -7.154 1.00 0.00 C ATOM 1795 C LYS A 112 6.468 -69.027 -7.622 1.00 0.00 C ATOM 1796 O LYS A 112 6.710 -69.147 -8.822 1.00 0.00 O ATOM 1797 CB LYS A 112 3.952 -68.700 -7.976 1.00 0.00 C ATOM 1798 CG LYS A 112 3.936 -67.949 -9.309 1.00 0.00 C ATOM 1799 CD LYS A 112 2.502 -67.679 -9.769 1.00 0.00 C ATOM 1800 CE LYS A 112 1.982 -68.821 -10.644 1.00 0.00 C ATOM 1801 NZ LYS A 112 2.455 -68.662 -12.037 1.00 0.00 N ATOM 0 H LYS A 112 6.136 -66.571 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 112 4.985 -68.682 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.940 -69.774 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.051 -68.464 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.472 -67.006 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.461 -68.532 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.855 -67.558 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.465 -66.743 -10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.322 -69.777 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.892 -68.836 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.093 -69.445 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.110 -67.759 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.495 -68.670 -12.054 1.00 0.00 H new ATOM 1829 N TYR A 114 9.561 -72.280 -6.572 1.00 0.00 N ATOM 1830 CA TYR A 114 9.621 -73.691 -6.230 1.00 0.00 C ATOM 1831 C TYR A 114 11.001 -74.063 -5.682 1.00 0.00 C ATOM 1832 O TYR A 114 11.912 -73.238 -5.672 1.00 0.00 O ATOM 1833 CB TYR A 114 9.383 -74.452 -7.536 1.00 0.00 C ATOM 1834 CG TYR A 114 10.627 -74.583 -8.416 1.00 0.00 C ATOM 1835 CD1 TYR A 114 11.479 -75.656 -8.253 1.00 0.00 C ATOM 1836 CD2 TYR A 114 10.898 -73.627 -9.374 1.00 0.00 C ATOM 1837 CE1 TYR A 114 12.650 -75.779 -9.081 1.00 0.00 C ATOM 1838 CE2 TYR A 114 12.070 -73.750 -10.203 1.00 0.00 C ATOM 1839 CZ TYR A 114 12.888 -74.820 -10.015 1.00 0.00 C ATOM 1840 OH TYR A 114 13.994 -74.936 -10.798 1.00 0.00 O ATOM 0 HA TYR A 114 8.883 -73.932 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 114 9.011 -75.449 -7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 114 8.602 -73.945 -8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 114 11.267 -76.404 -7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 114 10.232 -72.787 -9.502 1.00 0.00 H new ATOM 0 HE1 TYR A 114 13.324 -76.614 -8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 114 12.294 -73.009 -10.956 1.00 0.00 H new ATOM 0 HH TYR A 114 14.035 -74.180 -11.420 1.00 0.00 H new ATOM 1850 N ALA A 115 11.110 -75.307 -5.239 1.00 0.00 N ATOM 1851 CA ALA A 115 12.362 -75.799 -4.690 1.00 0.00 C ATOM 1852 C ALA A 115 12.682 -77.163 -5.305 1.00 0.00 C ATOM 1853 O ALA A 115 11.820 -78.038 -5.367 1.00 0.00 O ATOM 1854 CB ALA A 115 12.264 -75.855 -3.164 1.00 0.00 C ATOM 0 H ALA A 115 10.352 -75.989 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 115 13.182 -75.125 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 115 13.203 -76.224 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 115 12.065 -74.856 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.454 -76.525 -2.876 1.00 0.00 H new ATOM 1860 N GLU A 116 13.925 -77.302 -5.742 1.00 0.00 N ATOM 1861 CA GLU A 116 14.370 -78.545 -6.349 1.00 0.00 C ATOM 1862 C GLU A 116 14.938 -79.484 -5.283 1.00 0.00 C ATOM 1863 O GLU A 116 15.832 -79.103 -4.528 1.00 0.00 O ATOM 1864 CB GLU A 116 15.398 -78.280 -7.451 1.00 0.00 C ATOM 1865 CG GLU A 116 16.623 -77.552 -6.893 1.00 0.00 C ATOM 1866 CD GLU A 116 16.859 -76.232 -7.631 1.00 0.00 C ATOM 1867 OE1 GLU A 116 16.146 -75.261 -7.297 1.00 0.00 O ATOM 1868 OE2 GLU A 116 17.747 -76.224 -8.510 1.00 0.00 O ATOM 0 H GLU A 116 14.638 -76.575 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 116 13.509 -79.030 -6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.705 -79.224 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.944 -77.682 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.482 -77.358 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 116 17.503 -78.188 -6.987 1.00 0.00 H new ATOM 1875 N MET A 117 14.396 -80.692 -5.254 1.00 0.00 N ATOM 1876 CA MET A 117 14.838 -81.688 -4.292 1.00 0.00 C ATOM 1877 C MET A 117 15.892 -82.613 -4.906 1.00 0.00 C ATOM 1878 O MET A 117 16.087 -82.618 -6.120 1.00 0.00 O ATOM 1879 CB MET A 117 13.639 -82.517 -3.828 1.00 0.00 C ATOM 1880 CG MET A 117 13.137 -83.430 -4.948 1.00 0.00 C ATOM 1881 SD MET A 117 11.361 -83.309 -5.083 1.00 0.00 S ATOM 1882 CE MET A 117 11.227 -81.858 -6.113 1.00 0.00 C ATOM 0 H MET A 117 13.655 -81.004 -5.881 1.00 0.00 H new ATOM 0 HA MET A 117 15.285 -81.172 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.921 -83.118 -2.963 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.836 -81.853 -3.507 1.00 0.00 H new ATOM 0 HG2 MET A 117 13.602 -83.150 -5.893 1.00 0.00 H new ATOM 0 HG3 MET A 117 13.425 -84.461 -4.745 1.00 0.00 H new ATOM 0 HE1 MET A 117 10.199 -81.750 -6.458 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.511 -80.976 -5.538 1.00 0.00 H new ATOM 0 HE3 MET A 117 11.889 -81.960 -6.973 1.00 0.00 H new ATOM 1892 N ASP A 118 16.543 -83.373 -4.038 1.00 0.00 N ATOM 1893 CA ASP A 118 17.571 -84.300 -4.479 1.00 0.00 C ATOM 1894 C ASP A 118 16.909 -85.568 -5.023 1.00 0.00 C ATOM 1895 O ASP A 118 15.875 -85.999 -4.516 1.00 0.00 O ATOM 1896 CB ASP A 118 18.483 -84.704 -3.318 1.00 0.00 C ATOM 1897 CG ASP A 118 17.788 -85.456 -2.181 1.00 0.00 C ATOM 1898 OD1 ASP A 118 16.685 -85.009 -1.797 1.00 0.00 O ATOM 1899 OD2 ASP A 118 18.374 -86.459 -1.722 1.00 0.00 O ATOM 0 H ASP A 118 16.378 -83.366 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 118 18.164 -83.805 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 118 19.287 -85.328 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 118 18.946 -83.806 -2.910 1.00 0.00 H new ATOM 1904 N PRO A 119 17.550 -86.143 -6.076 1.00 0.00 N ATOM 1905 CA PRO A 119 17.034 -87.352 -6.695 1.00 0.00 C ATOM 1906 C PRO A 119 17.305 -88.576 -5.818 1.00 0.00 C ATOM 1907 O PRO A 119 16.379 -89.157 -5.253 1.00 0.00 O ATOM 1908 CB PRO A 119 17.725 -87.427 -8.048 1.00 0.00 C ATOM 1909 CG PRO A 119 18.939 -86.519 -7.946 1.00 0.00 C ATOM 1910 CD PRO A 119 18.776 -85.660 -6.703 1.00 0.00 C ATOM 0 HA PRO A 119 15.951 -87.333 -6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.021 -88.450 -8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.058 -87.100 -8.846 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.853 -87.110 -7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.023 -85.893 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.630 -85.765 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.700 -84.603 -6.959 1.00 0.00 H new ATOM 1918 N THR A 120 18.578 -88.931 -5.730 1.00 0.00 N ATOM 1919 CA THR A 120 18.982 -90.075 -4.930 1.00 0.00 C ATOM 1920 C THR A 120 20.506 -90.121 -4.796 1.00 0.00 C ATOM 1921 O THR A 120 21.225 -89.717 -5.709 1.00 0.00 O ATOM 1922 CB THR A 120 18.391 -91.333 -5.571 1.00 0.00 C ATOM 1923 OG1 THR A 120 18.667 -92.365 -4.628 1.00 0.00 O ATOM 1924 CG2 THR A 120 19.151 -91.762 -6.827 1.00 0.00 C ATOM 0 H THR A 120 19.343 -88.447 -6.199 1.00 0.00 H new ATOM 0 HA THR A 120 18.599 -90.000 -3.912 1.00 0.00 H new ATOM 0 HB THR A 120 17.345 -91.155 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 120 18.316 -93.217 -4.963 1.00 0.00 H new ATOM 0 HG21 THR A 120 18.691 -92.659 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 120 19.115 -90.961 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 120 20.189 -91.973 -6.570 1.00 0.00 H new ATOM 1932 N THR A 121 20.953 -90.616 -3.652 1.00 0.00 N ATOM 1933 CA THR A 121 22.378 -90.720 -3.386 1.00 0.00 C ATOM 1934 C THR A 121 22.710 -92.085 -2.782 1.00 0.00 C ATOM 1935 O THR A 121 21.819 -92.797 -2.319 1.00 0.00 O ATOM 1936 CB THR A 121 22.778 -89.545 -2.492 1.00 0.00 C ATOM 1937 OG1 THR A 121 24.200 -89.627 -2.428 1.00 0.00 O ATOM 1938 CG2 THR A 121 22.329 -89.734 -1.041 1.00 0.00 C ATOM 0 H THR A 121 20.353 -90.950 -2.898 1.00 0.00 H new ATOM 0 HA THR A 121 22.958 -90.659 -4.307 1.00 0.00 H new ATOM 0 HB THR A 121 22.349 -88.625 -2.888 1.00 0.00 H new ATOM 0 HG1 THR A 121 24.545 -88.900 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 121 22.638 -88.872 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 121 21.244 -89.828 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 121 22.785 -90.636 -0.634 1.00 0.00 H new ATOM 1946 N ALA A 122 23.994 -92.410 -2.804 1.00 0.00 N ATOM 1947 CA ALA A 122 24.454 -93.678 -2.264 1.00 0.00 C ATOM 1948 C ALA A 122 25.928 -93.876 -2.625 1.00 0.00 C ATOM 1949 O ALA A 122 26.478 -93.131 -3.434 1.00 0.00 O ATOM 1950 CB ALA A 122 23.569 -94.809 -2.789 1.00 0.00 C ATOM 0 H ALA A 122 24.730 -91.817 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 122 24.377 -93.682 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 122 23.915 -95.760 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 122 22.538 -94.637 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 122 23.623 -94.838 -3.877 1.00 0.00 H new ATOM 1956 N ALA A 123 26.525 -94.884 -2.007 1.00 0.00 N ATOM 1957 CA ALA A 123 27.925 -95.190 -2.253 1.00 0.00 C ATOM 1958 C ALA A 123 28.149 -96.695 -2.094 1.00 0.00 C ATOM 1959 O ALA A 123 27.193 -97.469 -2.063 1.00 0.00 O ATOM 1960 CB ALA A 123 28.801 -94.367 -1.306 1.00 0.00 C ATOM 0 H ALA A 123 26.065 -95.500 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 123 28.204 -94.921 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 123 29.851 -94.596 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 123 28.626 -93.305 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 123 28.552 -94.613 -0.274 1.00 0.00 H new ATOM 1966 N LEU A 124 29.418 -97.065 -1.999 1.00 0.00 N ATOM 1967 CA LEU A 124 29.780 -98.463 -1.846 1.00 0.00 C ATOM 1968 C LEU A 124 31.274 -98.567 -1.531 1.00 0.00 C ATOM 1969 O LEU A 124 32.097 -97.940 -2.195 1.00 0.00 O ATOM 1970 CB LEU A 124 29.354 -99.266 -3.076 1.00 0.00 C ATOM 1971 CG LEU A 124 30.240 -99.117 -4.314 1.00 0.00 C ATOM 1972 CD1 LEU A 124 30.501-100.475 -4.969 1.00 0.00 C ATOM 1973 CD2 LEU A 124 29.642 -98.111 -5.300 1.00 0.00 C ATOM 0 H LEU A 124 30.208 -96.420 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 124 29.244 -98.905 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 124 29.320-100.321 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 124 28.339 -98.973 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 124 31.205 -98.722 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 124 31.133-100.340 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.002-101.132 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.553-100.922 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.292 -98.024 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 124 28.656 -98.453 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 124 29.551 -97.138 -4.817 1.00 0.00 H new ATOM 1985 N GLU A 125 31.578 -99.364 -0.517 1.00 0.00 N ATOM 1986 CA GLU A 125 32.958 -99.559 -0.106 1.00 0.00 C ATOM 1987 C GLU A 125 33.306-101.049 -0.102 1.00 0.00 C ATOM 1988 O GLU A 125 32.584-101.857 0.480 1.00 0.00 O ATOM 1989 CB GLU A 125 33.215 -98.932 1.266 1.00 0.00 C ATOM 1990 CG GLU A 125 34.709 -98.931 1.597 1.00 0.00 C ATOM 1991 CD GLU A 125 34.979 -99.664 2.913 1.00 0.00 C ATOM 1992 OE1 GLU A 125 34.152 -99.496 3.836 1.00 0.00 O ATOM 1993 OE2 GLU A 125 36.005-100.375 2.967 1.00 0.00 O ATOM 0 H GLU A 125 30.892 -99.882 0.032 1.00 0.00 H new ATOM 0 HA GLU A 125 33.605 -99.057 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 125 32.835 -97.910 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 125 32.670 -99.485 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 125 35.264 -99.409 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 125 35.069 -97.905 1.668 1.00 0.00 H new ATOM 2000 N LYS A 126 34.412-101.367 -0.758 1.00 0.00 N ATOM 2001 CA LYS A 126 34.865-102.746 -0.837 1.00 0.00 C ATOM 2002 C LYS A 126 36.109-102.920 0.036 1.00 0.00 C ATOM 2003 O LYS A 126 36.945-102.022 0.119 1.00 0.00 O ATOM 2004 CB LYS A 126 35.074-103.158 -2.295 1.00 0.00 C ATOM 2005 CG LYS A 126 35.792-104.506 -2.386 1.00 0.00 C ATOM 2006 CD LYS A 126 34.819-105.663 -2.143 1.00 0.00 C ATOM 2007 CE LYS A 126 35.502-107.011 -2.377 1.00 0.00 C ATOM 2008 NZ LYS A 126 34.815-108.079 -1.617 1.00 0.00 N ATOM 0 H LYS A 126 35.008-100.694 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 126 34.104-103.421 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 126 34.110-103.220 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 126 35.657-102.396 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 126 36.251-104.612 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 126 36.598-104.543 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 126 34.440-105.616 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 126 33.960-105.566 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 126 35.493-107.250 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 126 36.547-106.954 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 35.291-108.988 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 34.845-107.857 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 33.825-108.144 -1.928 1.00 0.00 H new ATOM 2022 N GLU A 127 36.193-104.083 0.665 1.00 0.00 N ATOM 2023 CA GLU A 127 37.321-104.387 1.529 1.00 0.00 C ATOM 2024 C GLU A 127 37.936-105.735 1.145 1.00 0.00 C ATOM 2025 O GLU A 127 37.329-106.511 0.408 1.00 0.00 O ATOM 2026 CB GLU A 127 36.904-104.374 3.001 1.00 0.00 C ATOM 2027 CG GLU A 127 35.931-105.515 3.305 1.00 0.00 C ATOM 2028 CD GLU A 127 35.545-105.526 4.785 1.00 0.00 C ATOM 2029 OE1 GLU A 127 36.412-105.146 5.601 1.00 0.00 O ATOM 2030 OE2 GLU A 127 34.390-105.913 5.067 1.00 0.00 O ATOM 0 H GLU A 127 35.498-104.826 0.594 1.00 0.00 H new ATOM 0 HA GLU A 127 38.076-103.613 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 127 37.787-104.466 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 127 36.437-103.419 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 127 35.036-105.407 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 127 36.387-106.468 3.037 1.00 0.00 H new ATOM 2037 N SER A 128 39.132-105.973 1.661 1.00 0.00 N ATOM 2038 CA SER A 128 39.836-107.213 1.382 1.00 0.00 C ATOM 2039 C SER A 128 40.838-107.510 2.499 1.00 0.00 C ATOM 2040 O SER A 128 41.074-106.669 3.365 1.00 0.00 O ATOM 2041 CB SER A 128 40.551-107.148 0.031 1.00 0.00 C ATOM 2042 OG SER A 128 41.690-106.293 0.070 1.00 0.00 O ATOM 0 H SER A 128 39.632-105.327 2.272 1.00 0.00 H new ATOM 0 HA SER A 128 39.103-108.019 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 128 40.860-108.151 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 128 39.856-106.792 -0.730 1.00 0.00 H new ATOM 0 HG SER A 128 42.120-106.280 -0.811 1.00 0.00 H new ATOM 2048 N GLY A 129 41.400-108.708 2.443 1.00 0.00 N ATOM 2049 CA GLY A 129 42.372-109.126 3.440 1.00 0.00 C ATOM 2050 C GLY A 129 43.243-110.267 2.911 1.00 0.00 C ATOM 2051 O GLY A 129 42.738-111.203 2.292 1.00 0.00 O ATOM 0 H GLY A 129 41.201-109.403 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 129 43.002-108.280 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 129 41.856-109.447 4.345 1.00 0.00 H new ATOM 2055 N PRO A 130 44.570-110.149 3.181 1.00 0.00 N ATOM 2056 CA PRO A 130 45.517-111.160 2.740 1.00 0.00 C ATOM 2057 C PRO A 130 45.417-112.419 3.604 1.00 0.00 C ATOM 2058 O PRO A 130 44.587-112.491 4.508 1.00 0.00 O ATOM 2059 CB PRO A 130 46.877-110.488 2.824 1.00 0.00 C ATOM 2060 CG PRO A 130 46.696-109.292 3.744 1.00 0.00 C ATOM 2061 CD PRO A 130 45.204-109.055 3.911 1.00 0.00 C ATOM 0 HA PRO A 130 45.321-111.506 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 130 47.627-111.173 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 130 47.219-110.174 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 130 47.163-109.480 4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 130 47.178-108.410 3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 130 44.917-109.062 4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 130 44.909-108.086 3.507 1.00 0.00 H new ATOM 2069 N SER A 131 46.276-113.379 3.294 1.00 0.00 N ATOM 2070 CA SER A 131 46.295-114.632 4.031 1.00 0.00 C ATOM 2071 C SER A 131 47.666-115.298 3.894 1.00 0.00 C ATOM 2072 O SER A 131 48.473-114.899 3.056 1.00 0.00 O ATOM 2073 CB SER A 131 45.195-115.575 3.542 1.00 0.00 C ATOM 2074 OG SER A 131 45.289-115.825 2.143 1.00 0.00 O ATOM 0 H SER A 131 46.963-113.315 2.543 1.00 0.00 H new ATOM 0 HA SER A 131 46.107-114.414 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 131 45.259-116.519 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 131 44.220-115.143 3.768 1.00 0.00 H new ATOM 0 HG SER A 131 44.570-116.433 1.870 1.00 0.00 H new ATOM 2080 N SER A 132 47.886-116.302 4.730 1.00 0.00 N ATOM 2081 CA SER A 132 49.145-117.028 4.713 1.00 0.00 C ATOM 2082 C SER A 132 48.943-118.439 5.269 1.00 0.00 C ATOM 2083 O SER A 132 47.882-118.752 5.807 1.00 0.00 O ATOM 2084 CB SER A 132 50.217-116.289 5.516 1.00 0.00 C ATOM 2085 OG SER A 132 51.353-115.965 4.718 1.00 0.00 O ATOM 0 H SER A 132 47.214-116.630 5.424 1.00 0.00 H new ATOM 0 HA SER A 132 49.486-117.097 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 132 49.793-115.375 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 132 50.530-116.907 6.358 1.00 0.00 H new ATOM 0 HG SER A 132 52.014-115.493 5.266 1.00 0.00 H new ATOM 2091 N GLY A 133 49.978-119.252 5.121 1.00 0.00 N ATOM 2092 CA GLY A 133 49.928-120.622 5.602 1.00 0.00 C ATOM 2093 C GLY A 133 50.915-120.837 6.752 1.00 0.00 C ATOM 2094 O GLY A 133 51.862-121.611 6.625 1.00 0.00 O ATOM 0 H GLY A 133 50.856-118.988 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 133 48.918-120.857 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 133 50.161-121.306 4.786 1.00 0.00 H new