USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 90 GLN : amide:sc= -0.705 K(o=-0.79,f=0.33) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 158:sc= -0.0824 (180deg=0) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 150:sc= 0.0184 (180deg=0) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-1) USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= -0.0501 USER MOD Set 3.1: A 28 CYS SG : rot 133:sc= -0.292! USER MOD Set 3.2: A 31 CYS SG : rot -46:sc= -1.92! USER MOD Set 3.3: A 60 HIS : no HE2:sc= -0.356 K(o=-4.2,f=-5.1) USER MOD Set 3.4: A 63 CYS SG : rot -174:sc= -1.64 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -24:sc= 0.514 USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= -0.0662 (180deg=-0.59) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 0.329 (180deg=0.134) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -82:sc= 1.31 USER MOD Single : A 42 MET CE :methyl -143:sc= -3.21! (180deg=-4.57!) USER MOD Single : A 45 MET CE :methyl 147:sc= -0.0886 (180deg=-1.12) USER MOD Single : A 47 GLN : amide:sc= -0.0888 K(o=-0.089,f=-1.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-2.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.99 K(o=-0.99,f=-0.04) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.138 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.398 10.236 -2.830 1.00 0.00 N ATOM 165 CA LEU A 15 0.940 10.284 -2.834 1.00 0.00 C ATOM 166 C LEU A 15 0.352 9.011 -2.233 1.00 0.00 C ATOM 167 O LEU A 15 -0.559 9.065 -1.407 1.00 0.00 O ATOM 168 CB LEU A 15 0.420 10.475 -4.260 1.00 0.00 C ATOM 169 CG LEU A 15 0.413 11.911 -4.784 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.228 11.928 -6.294 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.679 12.723 -4.102 1.00 0.00 C ATOM 0 HA LEU A 15 0.627 11.131 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.027 9.867 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.597 10.086 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 15 1.376 12.366 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.226 12.959 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.045 11.383 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.720 11.454 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.669 13.742 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.649 12.269 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.502 12.740 -3.027 1.00 0.00 H new ATOM 183 N TYR A 16 0.881 7.866 -2.652 1.00 0.00 N ATOM 184 CA TYR A 16 0.408 6.579 -2.155 1.00 0.00 C ATOM 185 C TYR A 16 1.501 5.867 -1.364 1.00 0.00 C ATOM 186 O TYR A 16 2.661 6.277 -1.378 1.00 0.00 O ATOM 187 CB TYR A 16 -0.052 5.698 -3.318 1.00 0.00 C ATOM 188 CG TYR A 16 -1.072 6.363 -4.215 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.399 6.482 -3.822 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.707 6.873 -5.455 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.334 7.088 -4.638 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.635 7.482 -6.278 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.947 7.586 -5.865 1.00 0.00 C ATOM 194 OH TYR A 16 -3.876 8.192 -6.681 1.00 0.00 O ATOM 0 H TYR A 16 1.637 7.803 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.436 6.762 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.816 5.416 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.477 4.777 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.705 6.094 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.319 6.792 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.362 7.172 -4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.335 7.874 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.441 8.489 -7.508 1.00 0.00 H new ATOM 204 N ARG A 17 1.120 4.796 -0.675 1.00 0.00 N ATOM 205 CA ARG A 17 2.066 4.025 0.123 1.00 0.00 C ATOM 206 C ARG A 17 1.534 2.620 0.389 1.00 0.00 C ATOM 207 O ARG A 17 0.559 2.441 1.119 1.00 0.00 O ATOM 208 CB ARG A 17 2.344 4.736 1.449 1.00 0.00 C ATOM 209 CG ARG A 17 3.112 3.884 2.447 1.00 0.00 C ATOM 210 CD ARG A 17 3.624 4.716 3.612 1.00 0.00 C ATOM 211 NE ARG A 17 2.559 5.061 4.549 1.00 0.00 N ATOM 212 CZ ARG A 17 2.589 6.132 5.335 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.626 6.957 5.296 1.00 0.00 N ATOM 214 NH2 ARG A 17 1.581 6.379 6.161 1.00 0.00 N ATOM 0 H ARG A 17 0.163 4.443 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 17 2.996 3.942 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.909 5.647 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.397 5.038 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.466 3.090 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.952 3.402 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.403 4.164 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.082 5.629 3.232 1.00 0.00 H new ATOM 0 HE ARG A 17 1.747 4.446 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.403 6.770 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.647 7.779 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.781 5.746 6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.605 7.201 6.764 1.00 0.00 H new ATOM 228 N VAL A 18 2.182 1.625 -0.209 1.00 0.00 N ATOM 229 CA VAL A 18 1.776 0.235 -0.037 1.00 0.00 C ATOM 230 C VAL A 18 2.717 -0.500 0.910 1.00 0.00 C ATOM 231 O VAL A 18 3.928 -0.282 0.889 1.00 0.00 O ATOM 232 CB VAL A 18 1.738 -0.509 -1.385 1.00 0.00 C ATOM 233 CG1 VAL A 18 3.124 -0.555 -2.009 1.00 0.00 C ATOM 234 CG2 VAL A 18 1.179 -1.912 -1.203 1.00 0.00 C ATOM 0 H VAL A 18 2.990 1.756 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 18 0.774 0.249 0.391 1.00 0.00 H new ATOM 0 HB VAL A 18 1.079 0.035 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.077 -1.084 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.482 0.461 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.808 -1.075 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.159 -2.423 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.810 -2.468 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.167 -1.851 -0.804 1.00 0.00 H new ATOM 244 N GLU A 19 2.152 -1.370 1.740 1.00 0.00 N ATOM 245 CA GLU A 19 2.942 -2.137 2.696 1.00 0.00 C ATOM 246 C GLU A 19 2.079 -3.178 3.404 1.00 0.00 C ATOM 247 O GLU A 19 0.866 -3.013 3.531 1.00 0.00 O ATOM 248 CB GLU A 19 3.583 -1.205 3.727 1.00 0.00 C ATOM 249 CG GLU A 19 2.579 -0.539 4.653 1.00 0.00 C ATOM 250 CD GLU A 19 3.158 0.662 5.375 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.731 1.541 4.699 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.037 0.722 6.616 1.00 0.00 O ATOM 0 H GLU A 19 1.151 -1.562 1.770 1.00 0.00 H new ATOM 0 HA GLU A 19 3.728 -2.654 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.295 -1.774 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.150 -0.434 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.709 -0.226 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.230 -1.265 5.387 1.00 0.00 H new ATOM 259 N TYR A 20 2.714 -4.252 3.861 1.00 0.00 N ATOM 260 CA TYR A 20 2.006 -5.322 4.553 1.00 0.00 C ATOM 261 C TYR A 20 1.560 -4.872 5.941 1.00 0.00 C ATOM 262 O TYR A 20 2.366 -4.786 6.867 1.00 0.00 O ATOM 263 CB TYR A 20 2.897 -6.560 4.668 1.00 0.00 C ATOM 264 CG TYR A 20 3.393 -7.075 3.336 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.502 -7.439 2.334 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.753 -7.198 3.080 1.00 0.00 C ATOM 267 CE1 TYR A 20 2.951 -7.910 1.115 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.211 -7.667 1.864 1.00 0.00 C ATOM 269 CZ TYR A 20 4.306 -8.022 0.885 1.00 0.00 C ATOM 270 OH TYR A 20 4.758 -8.491 -0.327 1.00 0.00 O ATOM 0 H TYR A 20 3.718 -4.404 3.764 1.00 0.00 H new ATOM 0 HA TYR A 20 1.120 -5.573 3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.754 -6.323 5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.341 -7.352 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.440 -7.352 2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.464 -6.922 3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.245 -8.189 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.272 -7.755 1.681 1.00 0.00 H new ATOM 0 HH TYR A 20 4.063 -9.040 -0.745 1.00 0.00 H new ATOM 280 N ALA A 21 0.269 -4.587 6.076 1.00 0.00 N ATOM 281 CA ALA A 21 -0.287 -4.148 7.351 1.00 0.00 C ATOM 282 C ALA A 21 0.434 -4.810 8.521 1.00 0.00 C ATOM 283 O ALA A 21 0.785 -5.988 8.461 1.00 0.00 O ATOM 284 CB ALA A 21 -1.777 -4.449 7.408 1.00 0.00 C ATOM 0 H ALA A 21 -0.411 -4.652 5.319 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.142 -3.071 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.179 -4.116 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.285 -3.925 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.936 -5.522 7.301 1.00 0.00 H new ATOM 290 N LYS A 22 0.652 -4.044 9.584 1.00 0.00 N ATOM 291 CA LYS A 22 1.331 -4.555 10.769 1.00 0.00 C ATOM 292 C LYS A 22 0.333 -5.175 11.742 1.00 0.00 C ATOM 293 O LYS A 22 0.615 -6.199 12.365 1.00 0.00 O ATOM 294 CB LYS A 22 2.105 -3.431 11.463 1.00 0.00 C ATOM 295 CG LYS A 22 2.768 -3.861 12.760 1.00 0.00 C ATOM 296 CD LYS A 22 4.061 -4.617 12.502 1.00 0.00 C ATOM 297 CE LYS A 22 4.446 -5.485 13.690 1.00 0.00 C ATOM 298 NZ LYS A 22 3.448 -6.563 13.936 1.00 0.00 N ATOM 0 H LYS A 22 0.368 -3.066 9.649 1.00 0.00 H new ATOM 0 HA LYS A 22 2.031 -5.328 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.868 -3.053 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.424 -2.605 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.975 -2.983 13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.084 -4.492 13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.948 -5.241 11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.862 -3.908 12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.425 -5.930 13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.535 -4.863 14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.025 -6.436 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.702 -6.517 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.919 -7.489 13.890 1.00 0.00 H new ATOM 312 N SER A 23 -0.833 -4.550 11.866 1.00 0.00 N ATOM 313 CA SER A 23 -1.871 -5.040 12.765 1.00 0.00 C ATOM 314 C SER A 23 -3.218 -5.110 12.052 1.00 0.00 C ATOM 315 O SER A 23 -3.363 -4.634 10.927 1.00 0.00 O ATOM 316 CB SER A 23 -1.979 -4.135 13.995 1.00 0.00 C ATOM 317 OG SER A 23 -0.713 -3.950 14.605 1.00 0.00 O ATOM 0 H SER A 23 -1.083 -3.703 11.355 1.00 0.00 H new ATOM 0 HA SER A 23 -1.596 -6.045 13.085 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.391 -3.169 13.704 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.672 -4.574 14.713 1.00 0.00 H new ATOM 0 HG SER A 23 -0.809 -3.367 15.387 1.00 0.00 H new ATOM 323 N GLY A 24 -4.202 -5.709 12.717 1.00 0.00 N ATOM 324 CA GLY A 24 -5.524 -5.833 12.132 1.00 0.00 C ATOM 325 C GLY A 24 -6.522 -4.873 12.749 1.00 0.00 C ATOM 326 O GLY A 24 -7.626 -5.271 13.123 1.00 0.00 O ATOM 0 H GLY A 24 -4.107 -6.110 13.650 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.462 -5.649 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.880 -6.855 12.260 1.00 0.00 H new ATOM 330 N ARG A 25 -6.134 -3.607 12.857 1.00 0.00 N ATOM 331 CA ARG A 25 -7.003 -2.588 13.436 1.00 0.00 C ATOM 332 C ARG A 25 -7.525 -1.643 12.358 1.00 0.00 C ATOM 333 O ARG A 25 -8.729 -1.413 12.251 1.00 0.00 O ATOM 334 CB ARG A 25 -6.250 -1.794 14.505 1.00 0.00 C ATOM 335 CG ARG A 25 -5.875 -2.618 15.725 1.00 0.00 C ATOM 336 CD ARG A 25 -4.620 -3.440 15.478 1.00 0.00 C ATOM 337 NE ARG A 25 -4.332 -4.347 16.586 1.00 0.00 N ATOM 338 CZ ARG A 25 -3.627 -3.998 17.656 1.00 0.00 C ATOM 339 NH1 ARG A 25 -3.141 -2.769 17.763 1.00 0.00 N ATOM 340 NH2 ARG A 25 -3.407 -4.880 18.623 1.00 0.00 N ATOM 0 H ARG A 25 -5.224 -3.262 12.552 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.853 -3.090 13.897 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.343 -1.378 14.065 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.866 -0.952 14.821 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.716 -1.957 16.577 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.700 -3.281 15.985 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.739 -4.016 14.560 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.773 -2.771 15.328 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.692 -5.300 16.535 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.308 -2.088 17.022 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.600 -2.504 18.586 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.779 -5.826 18.545 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.865 -4.612 19.445 1.00 0.00 H new ATOM 354 N ALA A 26 -6.611 -1.098 11.562 1.00 0.00 N ATOM 355 CA ALA A 26 -6.979 -0.179 10.492 1.00 0.00 C ATOM 356 C ALA A 26 -8.330 -0.551 9.890 1.00 0.00 C ATOM 357 O ALA A 26 -8.694 -1.726 9.837 1.00 0.00 O ATOM 358 CB ALA A 26 -5.905 -0.165 9.415 1.00 0.00 C ATOM 0 H ALA A 26 -5.610 -1.277 11.638 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.063 0.821 10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.193 0.526 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.958 0.156 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.793 -1.167 9.000 1.00 0.00 H new ATOM 364 N SER A 27 -9.069 0.457 9.438 1.00 0.00 N ATOM 365 CA SER A 27 -10.382 0.235 8.844 1.00 0.00 C ATOM 366 C SER A 27 -10.388 0.642 7.373 1.00 0.00 C ATOM 367 O SER A 27 -9.501 1.360 6.912 1.00 0.00 O ATOM 368 CB SER A 27 -11.450 1.022 9.606 1.00 0.00 C ATOM 369 OG SER A 27 -11.182 2.413 9.570 1.00 0.00 O ATOM 0 H SER A 27 -8.781 1.435 9.472 1.00 0.00 H new ATOM 0 HA SER A 27 -10.608 -0.829 8.911 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.430 0.826 9.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.487 0.682 10.641 1.00 0.00 H new ATOM 0 HG SER A 27 -11.880 2.893 10.063 1.00 0.00 H new ATOM 375 N CYS A 28 -11.396 0.178 6.642 1.00 0.00 N ATOM 376 CA CYS A 28 -11.520 0.491 5.223 1.00 0.00 C ATOM 377 C CYS A 28 -12.548 1.596 4.998 1.00 0.00 C ATOM 378 O CYS A 28 -13.626 1.587 5.593 1.00 0.00 O ATOM 379 CB CYS A 28 -11.917 -0.759 4.436 1.00 0.00 C ATOM 380 SG CYS A 28 -12.211 -0.459 2.663 1.00 0.00 S ATOM 0 H CYS A 28 -12.139 -0.416 7.009 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.551 0.842 4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.131 -1.507 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.820 -1.181 4.877 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.593 -1.362 1.962 1.00 0.00 H new ATOM 385 N LYS A 29 -12.207 2.547 4.135 1.00 0.00 N ATOM 386 CA LYS A 29 -13.100 3.658 3.829 1.00 0.00 C ATOM 387 C LYS A 29 -13.846 3.413 2.521 1.00 0.00 C ATOM 388 O LYS A 29 -14.165 4.351 1.790 1.00 0.00 O ATOM 389 CB LYS A 29 -12.308 4.965 3.739 1.00 0.00 C ATOM 390 CG LYS A 29 -11.511 5.281 4.993 1.00 0.00 C ATOM 391 CD LYS A 29 -12.422 5.607 6.165 1.00 0.00 C ATOM 392 CE LYS A 29 -11.691 6.405 7.233 1.00 0.00 C ATOM 393 NZ LYS A 29 -11.785 7.871 6.992 1.00 0.00 N ATOM 0 H LYS A 29 -11.318 2.570 3.635 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.831 3.737 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.627 4.909 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.998 5.785 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.879 4.430 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.848 6.124 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.283 6.174 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.805 4.683 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.110 6.170 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.643 6.107 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.756 8.375 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.986 8.177 6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.679 8.086 6.506 1.00 0.00 H new ATOM 407 N LYS A 30 -14.122 2.146 2.232 1.00 0.00 N ATOM 408 CA LYS A 30 -14.833 1.776 1.014 1.00 0.00 C ATOM 409 C LYS A 30 -15.956 0.789 1.317 1.00 0.00 C ATOM 410 O LYS A 30 -17.113 1.024 0.970 1.00 0.00 O ATOM 411 CB LYS A 30 -13.864 1.166 -0.002 1.00 0.00 C ATOM 412 CG LYS A 30 -14.556 0.499 -1.178 1.00 0.00 C ATOM 413 CD LYS A 30 -14.941 1.510 -2.245 1.00 0.00 C ATOM 414 CE LYS A 30 -16.232 1.116 -2.946 1.00 0.00 C ATOM 415 NZ LYS A 30 -17.429 1.410 -2.109 1.00 0.00 N ATOM 0 H LYS A 30 -13.864 1.357 2.825 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.272 2.680 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.203 1.948 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.236 0.432 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.897 -0.254 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.448 -0.021 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.058 2.494 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.138 1.591 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.310 1.652 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.207 0.052 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.220 0.806 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.209 1.221 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.694 2.409 -2.222 1.00 0.00 H new ATOM 429 N CYS A 31 -15.606 -0.316 1.968 1.00 0.00 N ATOM 430 CA CYS A 31 -16.584 -1.339 2.319 1.00 0.00 C ATOM 431 C CYS A 31 -16.834 -1.357 3.825 1.00 0.00 C ATOM 432 O CYS A 31 -17.415 -2.303 4.356 1.00 0.00 O ATOM 433 CB CYS A 31 -16.103 -2.715 1.854 1.00 0.00 C ATOM 434 SG CYS A 31 -14.589 -3.294 2.686 1.00 0.00 S ATOM 0 H CYS A 31 -14.652 -0.526 2.263 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.521 -1.100 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.898 -3.442 2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.924 -2.681 0.779 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.711 -2.335 2.707 1.00 0.00 H new ATOM 439 N SER A 32 -16.391 -0.305 4.505 1.00 0.00 N ATOM 440 CA SER A 32 -16.564 -0.201 5.950 1.00 0.00 C ATOM 441 C SER A 32 -16.239 -1.527 6.632 1.00 0.00 C ATOM 442 O SER A 32 -17.057 -2.072 7.372 1.00 0.00 O ATOM 443 CB SER A 32 -17.996 0.220 6.285 1.00 0.00 C ATOM 444 OG SER A 32 -18.189 1.604 6.048 1.00 0.00 O ATOM 0 H SER A 32 -15.910 0.487 4.080 1.00 0.00 H new ATOM 0 HA SER A 32 -15.874 0.558 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.698 -0.357 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.210 -0.007 7.329 1.00 0.00 H new ATOM 0 HG SER A 32 -19.112 1.848 6.268 1.00 0.00 H new ATOM 450 N GLU A 33 -15.039 -2.038 6.377 1.00 0.00 N ATOM 451 CA GLU A 33 -14.606 -3.300 6.965 1.00 0.00 C ATOM 452 C GLU A 33 -13.281 -3.129 7.703 1.00 0.00 C ATOM 453 O GLU A 33 -12.632 -2.088 7.605 1.00 0.00 O ATOM 454 CB GLU A 33 -14.465 -4.371 5.883 1.00 0.00 C ATOM 455 CG GLU A 33 -15.792 -4.946 5.418 1.00 0.00 C ATOM 456 CD GLU A 33 -15.663 -6.361 4.890 1.00 0.00 C ATOM 457 OE1 GLU A 33 -14.737 -6.615 4.092 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.489 -7.216 5.277 1.00 0.00 O ATOM 0 H GLU A 33 -14.350 -1.598 5.768 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.364 -3.617 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.944 -3.943 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.842 -5.180 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.499 -4.935 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.207 -4.308 4.638 1.00 0.00 H new ATOM 465 N SER A 34 -12.886 -4.160 8.444 1.00 0.00 N ATOM 466 CA SER A 34 -11.641 -4.124 9.202 1.00 0.00 C ATOM 467 C SER A 34 -10.503 -4.760 8.410 1.00 0.00 C ATOM 468 O SER A 34 -10.611 -5.898 7.952 1.00 0.00 O ATOM 469 CB SER A 34 -11.812 -4.847 10.539 1.00 0.00 C ATOM 470 OG SER A 34 -12.613 -4.090 11.430 1.00 0.00 O ATOM 0 H SER A 34 -13.410 -5.030 8.535 1.00 0.00 H new ATOM 0 HA SER A 34 -11.390 -3.080 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.270 -5.822 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.834 -5.026 10.987 1.00 0.00 H new ATOM 0 HG SER A 34 -12.708 -4.575 12.276 1.00 0.00 H new ATOM 476 N ILE A 35 -9.413 -4.016 8.251 1.00 0.00 N ATOM 477 CA ILE A 35 -8.254 -4.507 7.515 1.00 0.00 C ATOM 478 C ILE A 35 -7.468 -5.520 8.340 1.00 0.00 C ATOM 479 O ILE A 35 -7.084 -5.265 9.481 1.00 0.00 O ATOM 480 CB ILE A 35 -7.317 -3.355 7.109 1.00 0.00 C ATOM 481 CG1 ILE A 35 -8.077 -2.317 6.280 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.124 -3.891 6.331 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.428 -0.951 6.279 1.00 0.00 C ATOM 0 H ILE A 35 -9.308 -3.072 8.622 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.633 -4.991 6.615 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.949 -2.871 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.157 -2.673 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.092 -2.228 6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.471 -3.064 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.571 -4.596 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.474 -4.397 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.021 -0.267 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.372 -0.574 7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.423 -1.026 5.864 1.00 0.00 H new ATOM 495 N PRO A 36 -7.221 -6.699 7.749 1.00 0.00 N ATOM 496 CA PRO A 36 -6.476 -7.775 8.410 1.00 0.00 C ATOM 497 C PRO A 36 -4.998 -7.438 8.578 1.00 0.00 C ATOM 498 O PRO A 36 -4.493 -6.492 7.973 1.00 0.00 O ATOM 499 CB PRO A 36 -6.649 -8.962 7.459 1.00 0.00 C ATOM 500 CG PRO A 36 -6.896 -8.346 6.125 1.00 0.00 C ATOM 501 CD PRO A 36 -7.649 -7.072 6.390 1.00 0.00 C ATOM 0 HA PRO A 36 -6.841 -7.963 9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.759 -9.592 7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.483 -9.595 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.958 -8.144 5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.473 -9.015 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.399 -6.299 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.727 -7.224 6.336 1.00 0.00 H new ATOM 509 N LYS A 37 -4.309 -8.218 9.404 1.00 0.00 N ATOM 510 CA LYS A 37 -2.888 -8.004 9.651 1.00 0.00 C ATOM 511 C LYS A 37 -2.042 -8.668 8.569 1.00 0.00 C ATOM 512 O LYS A 37 -2.480 -9.619 7.921 1.00 0.00 O ATOM 513 CB LYS A 37 -2.500 -8.553 11.026 1.00 0.00 C ATOM 514 CG LYS A 37 -1.005 -8.528 11.291 1.00 0.00 C ATOM 515 CD LYS A 37 -0.684 -8.950 12.715 1.00 0.00 C ATOM 516 CE LYS A 37 0.723 -9.516 12.825 1.00 0.00 C ATOM 517 NZ LYS A 37 1.083 -9.839 14.234 1.00 0.00 N ATOM 0 H LYS A 37 -4.712 -9.004 9.914 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.698 -6.931 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.007 -7.972 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.859 -9.579 11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.499 -9.193 10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.620 -7.524 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.786 -8.093 13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.405 -9.698 13.045 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.801 -10.416 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.436 -8.796 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.049 -10.222 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.033 -8.976 14.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.418 -10.545 14.609 1.00 0.00 H new ATOM 531 N ASP A 38 -0.828 -8.163 8.381 1.00 0.00 N ATOM 532 CA ASP A 38 0.081 -8.709 7.380 1.00 0.00 C ATOM 533 C ASP A 38 -0.610 -8.825 6.025 1.00 0.00 C ATOM 534 O ASP A 38 -0.425 -9.806 5.305 1.00 0.00 O ATOM 535 CB ASP A 38 0.598 -10.079 7.822 1.00 0.00 C ATOM 536 CG ASP A 38 1.762 -10.559 6.978 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.834 -9.920 7.029 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.602 -11.572 6.267 1.00 0.00 O ATOM 0 H ASP A 38 -0.450 -7.376 8.909 1.00 0.00 H new ATOM 0 HA ASP A 38 0.925 -8.026 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.907 -10.028 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.212 -10.806 7.765 1.00 0.00 H new ATOM 543 N SER A 39 -1.407 -7.818 5.684 1.00 0.00 N ATOM 544 CA SER A 39 -2.130 -7.809 4.418 1.00 0.00 C ATOM 545 C SER A 39 -1.680 -6.643 3.543 1.00 0.00 C ATOM 546 O SER A 39 -1.397 -5.552 4.040 1.00 0.00 O ATOM 547 CB SER A 39 -3.637 -7.723 4.667 1.00 0.00 C ATOM 548 OG SER A 39 -3.958 -6.594 5.462 1.00 0.00 O ATOM 0 H SER A 39 -1.569 -6.997 6.267 1.00 0.00 H new ATOM 0 HA SER A 39 -1.908 -8.739 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.164 -7.663 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.979 -8.631 5.164 1.00 0.00 H new ATOM 0 HG SER A 39 -3.816 -6.809 6.408 1.00 0.00 H new ATOM 554 N LEU A 40 -1.615 -6.882 2.238 1.00 0.00 N ATOM 555 CA LEU A 40 -1.199 -5.852 1.292 1.00 0.00 C ATOM 556 C LEU A 40 -2.272 -4.778 1.150 1.00 0.00 C ATOM 557 O LEU A 40 -3.358 -5.036 0.631 1.00 0.00 O ATOM 558 CB LEU A 40 -0.902 -6.476 -0.073 1.00 0.00 C ATOM 559 CG LEU A 40 -0.386 -5.521 -1.150 1.00 0.00 C ATOM 560 CD1 LEU A 40 1.073 -5.172 -0.899 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.560 -6.132 -2.532 1.00 0.00 C ATOM 0 H LEU A 40 -1.845 -7.779 1.811 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.292 -5.385 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.166 -7.268 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.813 -6.948 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.971 -4.602 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.423 -4.492 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.170 -4.692 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.673 -6.082 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.187 -5.439 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.001 -7.066 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.617 -6.330 -2.712 1.00 0.00 H new ATOM 573 N ARG A 41 -1.960 -3.572 1.613 1.00 0.00 N ATOM 574 CA ARG A 41 -2.897 -2.457 1.536 1.00 0.00 C ATOM 575 C ARG A 41 -2.202 -1.196 1.032 1.00 0.00 C ATOM 576 O ARG A 41 -0.975 -1.102 1.052 1.00 0.00 O ATOM 577 CB ARG A 41 -3.522 -2.195 2.907 1.00 0.00 C ATOM 578 CG ARG A 41 -2.576 -1.524 3.890 1.00 0.00 C ATOM 579 CD ARG A 41 -3.146 -1.524 5.300 1.00 0.00 C ATOM 580 NE ARG A 41 -2.302 -0.779 6.231 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.549 -0.687 7.533 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.608 -1.290 8.055 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.734 0.010 8.316 1.00 0.00 N ATOM 0 H ARG A 41 -1.065 -3.342 2.046 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.684 -2.723 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.405 -1.569 2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.860 -3.141 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.617 -2.041 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.387 -0.498 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.145 -1.088 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.251 -2.551 5.649 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.479 -0.304 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.236 -1.827 7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.795 -1.217 9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.918 0.475 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.924 0.081 9.316 1.00 0.00 H new ATOM 597 N MET A 42 -2.995 -0.230 0.580 1.00 0.00 N ATOM 598 CA MET A 42 -2.456 1.026 0.071 1.00 0.00 C ATOM 599 C MET A 42 -2.864 2.194 0.963 1.00 0.00 C ATOM 600 O MET A 42 -3.730 2.055 1.826 1.00 0.00 O ATOM 601 CB MET A 42 -2.937 1.269 -1.360 1.00 0.00 C ATOM 602 CG MET A 42 -2.190 0.450 -2.400 1.00 0.00 C ATOM 603 SD MET A 42 -0.832 1.363 -3.159 1.00 0.00 S ATOM 604 CE MET A 42 -1.113 1.009 -4.892 1.00 0.00 C ATOM 0 H MET A 42 -4.013 -0.293 0.556 1.00 0.00 H new ATOM 0 HA MET A 42 -1.368 0.953 0.073 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.000 1.036 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.828 2.327 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.799 -0.454 -1.933 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.887 0.132 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.155 0.891 -5.399 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.690 0.089 -4.987 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.665 1.832 -5.347 1.00 0.00 H new ATOM 614 N ALA A 43 -2.234 3.344 0.749 1.00 0.00 N ATOM 615 CA ALA A 43 -2.533 4.536 1.533 1.00 0.00 C ATOM 616 C ALA A 43 -2.735 5.749 0.631 1.00 0.00 C ATOM 617 O ALA A 43 -2.123 5.852 -0.432 1.00 0.00 O ATOM 618 CB ALA A 43 -1.421 4.801 2.537 1.00 0.00 C ATOM 0 H ALA A 43 -1.513 3.476 0.039 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.462 4.360 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.658 5.694 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.327 3.948 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.480 4.951 2.007 1.00 0.00 H new ATOM 624 N ILE A 44 -3.596 6.665 1.063 1.00 0.00 N ATOM 625 CA ILE A 44 -3.877 7.871 0.294 1.00 0.00 C ATOM 626 C ILE A 44 -3.785 9.115 1.170 1.00 0.00 C ATOM 627 O ILE A 44 -4.242 9.118 2.312 1.00 0.00 O ATOM 628 CB ILE A 44 -5.274 7.814 -0.352 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.393 6.585 -1.256 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.546 9.087 -1.140 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.816 6.260 -1.651 1.00 0.00 C ATOM 0 H ILE A 44 -4.111 6.595 1.941 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.124 7.927 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.020 7.733 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.803 6.749 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.961 5.725 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.537 9.031 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.499 9.946 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.797 9.197 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.823 5.378 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.406 6.064 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.245 7.104 -2.191 1.00 0.00 H new ATOM 643 N MET A 45 -3.191 10.172 0.626 1.00 0.00 N ATOM 644 CA MET A 45 -3.041 11.425 1.357 1.00 0.00 C ATOM 645 C MET A 45 -4.165 12.396 1.009 1.00 0.00 C ATOM 646 O MET A 45 -4.079 13.135 0.029 1.00 0.00 O ATOM 647 CB MET A 45 -1.686 12.063 1.046 1.00 0.00 C ATOM 648 CG MET A 45 -0.514 11.351 1.702 1.00 0.00 C ATOM 649 SD MET A 45 -0.065 12.072 3.293 1.00 0.00 S ATOM 650 CE MET A 45 -1.093 11.113 4.402 1.00 0.00 C ATOM 0 H MET A 45 -2.806 10.186 -0.318 1.00 0.00 H new ATOM 0 HA MET A 45 -3.094 11.203 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.537 12.072 -0.034 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.699 13.102 1.374 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.765 10.300 1.842 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.347 11.387 1.035 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.578 10.981 5.353 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.035 11.636 4.569 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.293 10.137 3.960 1.00 0.00 H new ATOM 660 N VAL A 46 -5.220 12.387 1.818 1.00 0.00 N ATOM 661 CA VAL A 46 -6.361 13.267 1.596 1.00 0.00 C ATOM 662 C VAL A 46 -6.485 14.299 2.712 1.00 0.00 C ATOM 663 O VAL A 46 -5.861 14.166 3.764 1.00 0.00 O ATOM 664 CB VAL A 46 -7.675 12.470 1.501 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.665 11.567 0.276 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.899 11.659 2.768 1.00 0.00 C ATOM 0 H VAL A 46 -5.308 11.780 2.633 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.186 13.779 0.650 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.500 13.175 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.602 11.012 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.554 12.174 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.832 10.868 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.832 11.102 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.072 10.962 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.954 12.330 3.625 1.00 0.00 H new ATOM 676 N GLN A 47 -7.295 15.325 2.474 1.00 0.00 N ATOM 677 CA GLN A 47 -7.501 16.380 3.459 1.00 0.00 C ATOM 678 C GLN A 47 -8.695 16.063 4.354 1.00 0.00 C ATOM 679 O GLN A 47 -9.695 15.510 3.898 1.00 0.00 O ATOM 680 CB GLN A 47 -7.714 17.725 2.762 1.00 0.00 C ATOM 681 CG GLN A 47 -7.449 18.923 3.659 1.00 0.00 C ATOM 682 CD GLN A 47 -8.176 20.171 3.195 1.00 0.00 C ATOM 683 OE1 GLN A 47 -8.844 20.165 2.160 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.049 21.249 3.959 1.00 0.00 N ATOM 0 H GLN A 47 -7.819 15.448 1.608 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.608 16.440 4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.060 17.781 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.739 17.776 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.757 18.685 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.377 19.121 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.485 21.209 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.515 22.118 3.697 1.00 0.00 H new ATOM 693 N SER A 48 -8.582 16.418 5.630 1.00 0.00 N ATOM 694 CA SER A 48 -9.651 16.168 6.590 1.00 0.00 C ATOM 695 C SER A 48 -10.544 17.396 6.742 1.00 0.00 C ATOM 696 O SER A 48 -10.072 18.525 6.880 1.00 0.00 O ATOM 697 CB SER A 48 -9.065 15.779 7.949 1.00 0.00 C ATOM 698 OG SER A 48 -10.068 15.272 8.811 1.00 0.00 O ATOM 0 H SER A 48 -7.761 16.879 6.023 1.00 0.00 H new ATOM 0 HA SER A 48 -10.257 15.344 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.286 15.029 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.593 16.648 8.407 1.00 0.00 H new ATOM 0 HG SER A 48 -9.667 15.029 9.672 1.00 0.00 H new ATOM 774 N LYS A 54 -3.686 16.662 6.400 1.00 0.00 N ATOM 775 CA LYS A 54 -3.947 15.470 5.602 1.00 0.00 C ATOM 776 C LYS A 54 -3.842 14.210 6.455 1.00 0.00 C ATOM 777 O LYS A 54 -2.988 14.114 7.336 1.00 0.00 O ATOM 778 CB LYS A 54 -2.963 15.389 4.432 1.00 0.00 C ATOM 779 CG LYS A 54 -3.286 16.347 3.298 1.00 0.00 C ATOM 780 CD LYS A 54 -2.508 16.004 2.039 1.00 0.00 C ATOM 781 CE LYS A 54 -2.601 17.116 1.006 1.00 0.00 C ATOM 782 NZ LYS A 54 -2.248 16.636 -0.359 1.00 0.00 N ATOM 0 HA LYS A 54 -4.962 15.540 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.958 15.599 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.955 14.370 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.355 16.314 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.053 17.367 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.463 15.828 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.893 15.077 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.613 17.521 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.934 17.931 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.324 17.423 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.273 16.273 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.900 15.876 -0.639 1.00 0.00 H new ATOM 796 N VAL A 55 -4.717 13.245 6.188 1.00 0.00 N ATOM 797 CA VAL A 55 -4.721 11.990 6.930 1.00 0.00 C ATOM 798 C VAL A 55 -4.601 10.796 5.990 1.00 0.00 C ATOM 799 O VAL A 55 -5.216 10.749 4.924 1.00 0.00 O ATOM 800 CB VAL A 55 -6.002 11.840 7.772 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.108 12.966 8.789 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.229 11.807 6.872 1.00 0.00 C ATOM 0 H VAL A 55 -5.432 13.309 5.463 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.858 12.013 7.596 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.951 10.896 8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.019 12.843 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.244 12.939 9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.137 13.924 8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.125 11.701 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.287 12.734 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.155 10.963 6.186 1.00 0.00 H new ATOM 812 N PRO A 56 -3.790 9.806 6.392 1.00 0.00 N ATOM 813 CA PRO A 56 -3.571 8.592 5.601 1.00 0.00 C ATOM 814 C PRO A 56 -4.805 7.697 5.558 1.00 0.00 C ATOM 815 O PRO A 56 -5.319 7.282 6.597 1.00 0.00 O ATOM 816 CB PRO A 56 -2.427 7.890 6.337 1.00 0.00 C ATOM 817 CG PRO A 56 -2.522 8.382 7.740 1.00 0.00 C ATOM 818 CD PRO A 56 -3.026 9.795 7.651 1.00 0.00 C ATOM 0 HA PRO A 56 -3.349 8.820 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.532 6.806 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.462 8.137 5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.201 7.762 8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.551 8.345 8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.654 10.052 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.207 10.513 7.630 1.00 0.00 H new ATOM 826 N HIS A 57 -5.275 7.402 4.350 1.00 0.00 N ATOM 827 CA HIS A 57 -6.449 6.554 4.173 1.00 0.00 C ATOM 828 C HIS A 57 -6.054 5.189 3.618 1.00 0.00 C ATOM 829 O HIS A 57 -5.542 5.086 2.503 1.00 0.00 O ATOM 830 CB HIS A 57 -7.453 7.227 3.237 1.00 0.00 C ATOM 831 CG HIS A 57 -8.350 8.208 3.927 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.542 8.646 3.389 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.224 8.836 5.119 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.110 9.502 4.219 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.331 9.634 5.278 1.00 0.00 N ATOM 0 H HIS A 57 -4.861 7.737 3.480 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.913 6.409 5.149 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.910 7.740 2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.064 6.460 2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.406 8.730 5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.051 10.008 4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.521 10.231 6.083 1.00 0.00 H new ATOM 843 N TRP A 58 -6.294 4.145 4.403 1.00 0.00 N ATOM 844 CA TRP A 58 -5.963 2.786 3.989 1.00 0.00 C ATOM 845 C TRP A 58 -7.145 2.127 3.286 1.00 0.00 C ATOM 846 O TRP A 58 -8.258 2.107 3.810 1.00 0.00 O ATOM 847 CB TRP A 58 -5.544 1.951 5.200 1.00 0.00 C ATOM 848 CG TRP A 58 -4.485 2.604 6.035 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.667 3.278 7.209 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.081 2.648 5.759 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.461 3.738 7.679 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.472 3.364 6.808 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.279 2.151 4.728 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.100 3.594 6.853 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -0.917 2.380 4.775 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.338 3.096 5.831 1.00 0.00 C ATOM 0 H TRP A 58 -6.716 4.213 5.329 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.131 2.839 3.287 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.419 1.760 5.821 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.180 0.983 4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.619 3.427 7.696 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.324 4.272 8.537 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.716 1.598 3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.652 4.146 7.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.288 2.000 3.984 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.730 3.258 5.839 1.00 0.00 H new ATOM 867 N TYR A 59 -6.895 1.590 2.097 1.00 0.00 N ATOM 868 CA TYR A 59 -7.940 0.932 1.321 1.00 0.00 C ATOM 869 C TYR A 59 -7.521 -0.483 0.934 1.00 0.00 C ATOM 870 O TYR A 59 -6.360 -0.733 0.609 1.00 0.00 O ATOM 871 CB TYR A 59 -8.259 1.744 0.065 1.00 0.00 C ATOM 872 CG TYR A 59 -9.038 3.009 0.343 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.423 2.984 0.461 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.390 4.230 0.490 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.139 4.138 0.714 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.098 5.388 0.745 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.472 5.337 0.856 1.00 0.00 C ATOM 878 OH TYR A 59 -11.182 6.489 1.110 1.00 0.00 O ATOM 0 H TYR A 59 -5.978 1.597 1.650 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.834 0.870 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.326 2.004 -0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.828 1.121 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.948 2.046 0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.314 4.274 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.215 4.102 0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.579 6.328 0.857 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.563 7.245 1.184 1.00 0.00 H new ATOM 888 N HIS A 60 -8.477 -1.406 0.970 1.00 0.00 N ATOM 889 CA HIS A 60 -8.209 -2.797 0.621 1.00 0.00 C ATOM 890 C HIS A 60 -7.602 -2.900 -0.775 1.00 0.00 C ATOM 891 O HIS A 60 -8.005 -2.185 -1.693 1.00 0.00 O ATOM 892 CB HIS A 60 -9.497 -3.619 0.691 1.00 0.00 C ATOM 893 CG HIS A 60 -9.888 -4.002 2.086 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.147 -3.780 2.602 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.178 -4.596 3.073 1.00 0.00 C ATOM 896 CE1 HIS A 60 -11.194 -4.219 3.846 1.00 0.00 C ATOM 897 NE2 HIS A 60 -10.012 -4.720 4.156 1.00 0.00 N ATOM 0 H HIS A 60 -9.443 -1.216 1.237 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.493 -3.195 1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.308 -3.048 0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.374 -4.524 0.096 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.921 -3.345 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.147 -4.913 3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.053 -4.176 4.499 1.00 0.00 H new ATOM 905 N PHE A 61 -6.629 -3.793 -0.927 1.00 0.00 N ATOM 906 CA PHE A 61 -5.965 -3.988 -2.211 1.00 0.00 C ATOM 907 C PHE A 61 -6.950 -3.823 -3.364 1.00 0.00 C ATOM 908 O PHE A 61 -6.595 -3.323 -4.431 1.00 0.00 O ATOM 909 CB PHE A 61 -5.320 -5.375 -2.270 1.00 0.00 C ATOM 910 CG PHE A 61 -4.502 -5.603 -3.508 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.477 -4.734 -3.847 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.757 -6.686 -4.333 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.721 -4.941 -4.986 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.004 -6.899 -5.473 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.986 -6.024 -5.800 1.00 0.00 C ATOM 0 H PHE A 61 -6.283 -4.392 -0.178 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.189 -3.229 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.685 -5.509 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.101 -6.133 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.266 -3.885 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.553 -7.372 -4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.925 -4.257 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.211 -7.748 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.398 -6.187 -6.691 1.00 0.00 H new ATOM 925 N SER A 62 -8.190 -4.249 -3.141 1.00 0.00 N ATOM 926 CA SER A 62 -9.226 -4.153 -4.162 1.00 0.00 C ATOM 927 C SER A 62 -9.983 -2.833 -4.046 1.00 0.00 C ATOM 928 O SER A 62 -10.046 -2.054 -4.997 1.00 0.00 O ATOM 929 CB SER A 62 -10.201 -5.326 -4.041 1.00 0.00 C ATOM 930 OG SER A 62 -9.591 -6.539 -4.446 1.00 0.00 O ATOM 0 H SER A 62 -8.501 -4.664 -2.262 1.00 0.00 H new ATOM 0 HA SER A 62 -8.744 -4.190 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.543 -5.414 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.082 -5.136 -4.654 1.00 0.00 H new ATOM 0 HG SER A 62 -10.234 -7.274 -4.358 1.00 0.00 H new ATOM 936 N CYS A 63 -10.558 -2.590 -2.872 1.00 0.00 N ATOM 937 CA CYS A 63 -11.312 -1.366 -2.629 1.00 0.00 C ATOM 938 C CYS A 63 -10.559 -0.149 -3.159 1.00 0.00 C ATOM 939 O CYS A 63 -11.121 0.676 -3.880 1.00 0.00 O ATOM 940 CB CYS A 63 -11.584 -1.200 -1.133 1.00 0.00 C ATOM 941 SG CYS A 63 -12.740 -2.429 -0.446 1.00 0.00 S ATOM 0 H CYS A 63 -10.516 -3.225 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.262 -1.442 -3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.639 -1.265 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.984 -0.202 -0.956 1.00 0.00 H new ATOM 0 HG CYS A 63 -13.006 -2.131 0.791 1.00 0.00 H new ATOM 946 N PHE A 64 -9.285 -0.044 -2.796 1.00 0.00 N ATOM 947 CA PHE A 64 -8.455 1.072 -3.234 1.00 0.00 C ATOM 948 C PHE A 64 -8.716 1.401 -4.701 1.00 0.00 C ATOM 949 O PHE A 64 -8.709 2.566 -5.097 1.00 0.00 O ATOM 950 CB PHE A 64 -6.974 0.746 -3.028 1.00 0.00 C ATOM 951 CG PHE A 64 -6.048 1.794 -3.574 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.884 3.003 -2.918 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.341 1.571 -4.745 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.032 3.970 -3.417 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.487 2.533 -5.249 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.334 3.735 -4.585 1.00 0.00 C ATOM 0 H PHE A 64 -8.805 -0.718 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.715 1.943 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.782 0.623 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.751 -0.209 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.429 3.192 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.459 0.634 -5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.912 4.908 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.940 2.346 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.669 4.490 -4.979 1.00 0.00 H new ATOM 966 N TRP A 65 -8.944 0.366 -5.501 1.00 0.00 N ATOM 967 CA TRP A 65 -9.206 0.544 -6.925 1.00 0.00 C ATOM 968 C TRP A 65 -10.679 0.849 -7.173 1.00 0.00 C ATOM 969 O TRP A 65 -11.022 1.621 -8.069 1.00 0.00 O ATOM 970 CB TRP A 65 -8.794 -0.708 -7.701 1.00 0.00 C ATOM 971 CG TRP A 65 -7.378 -1.126 -7.446 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.959 -2.262 -6.816 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.194 -0.409 -7.814 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.586 -2.296 -6.770 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.093 -1.171 -7.376 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.956 0.800 -8.473 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.778 -0.761 -7.576 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.650 1.206 -8.669 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.574 0.427 -8.223 1.00 0.00 C ATOM 0 H TRP A 65 -8.953 -0.605 -5.188 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.615 1.390 -7.275 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.461 -1.528 -7.434 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.925 -0.525 -8.768 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.611 -3.023 -6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.025 -3.039 -6.352 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.778 1.406 -8.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.948 -1.360 -7.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.455 2.140 -9.175 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.564 0.771 -8.393 1.00 0.00 H new ATOM 990 N LYS A 66 -11.548 0.240 -6.374 1.00 0.00 N ATOM 991 CA LYS A 66 -12.985 0.448 -6.505 1.00 0.00 C ATOM 992 C LYS A 66 -13.324 1.935 -6.489 1.00 0.00 C ATOM 993 O LYS A 66 -14.042 2.428 -7.359 1.00 0.00 O ATOM 994 CB LYS A 66 -13.730 -0.268 -5.376 1.00 0.00 C ATOM 995 CG LYS A 66 -13.465 -1.763 -5.324 1.00 0.00 C ATOM 996 CD LYS A 66 -14.323 -2.516 -6.326 1.00 0.00 C ATOM 997 CE LYS A 66 -14.067 -4.014 -6.264 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.759 -4.647 -5.108 1.00 0.00 N ATOM 0 H LYS A 66 -11.282 -0.403 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.301 0.032 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.443 0.177 -4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.801 -0.101 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.412 -1.954 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.666 -2.134 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.376 -2.317 -6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.114 -2.151 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.406 -4.479 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.995 -4.197 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.560 -5.668 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.417 -4.221 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.784 -4.495 -5.192 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.801 2.646 -5.495 1.00 0.00 N ATOM 1013 CA VAL A 67 -13.046 4.077 -5.368 1.00 0.00 C ATOM 1014 C VAL A 67 -12.712 4.809 -6.663 1.00 0.00 C ATOM 1015 O VAL A 67 -13.368 5.786 -7.023 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.222 4.688 -4.219 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.706 4.163 -2.876 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.741 4.396 -4.412 1.00 0.00 C ATOM 0 H VAL A 67 -12.205 2.254 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.107 4.198 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.361 5.769 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.112 4.606 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.754 4.428 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.599 3.079 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.174 4.835 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.582 3.318 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.405 4.826 -5.356 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.686 4.330 -7.360 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.283 4.950 -8.608 1.00 0.00 C ATOM 1030 C GLY A 68 -9.804 5.281 -8.640 1.00 0.00 C ATOM 1031 O GLY A 68 -9.141 5.095 -9.661 1.00 0.00 O ATOM 0 H GLY A 68 -11.127 3.523 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.521 4.281 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.860 5.862 -8.760 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.285 5.773 -7.519 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.874 6.132 -7.423 1.00 0.00 C ATOM 1037 C HIS A 69 -7.018 5.201 -8.277 1.00 0.00 C ATOM 1038 O HIS A 69 -6.770 4.054 -7.904 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.411 6.079 -5.967 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.998 7.159 -5.112 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.886 8.500 -5.412 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.707 7.090 -3.961 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -8.499 9.210 -4.482 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -9.006 8.378 -3.590 1.00 0.00 N ATOM 0 H HIS A 69 -9.820 5.932 -6.665 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.756 7.149 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.675 5.109 -5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.324 6.154 -5.937 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.986 6.190 -3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.573 10.287 -4.455 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.534 8.648 -2.760 1.00 0.00 H new ATOM 1052 N SER A 70 -6.570 5.702 -9.423 1.00 0.00 N ATOM 1053 CA SER A 70 -5.745 4.914 -10.332 1.00 0.00 C ATOM 1054 C SER A 70 -4.280 5.324 -10.229 1.00 0.00 C ATOM 1055 O SER A 70 -3.961 6.414 -9.752 1.00 0.00 O ATOM 1056 CB SER A 70 -6.234 5.080 -11.772 1.00 0.00 C ATOM 1057 OG SER A 70 -5.951 3.925 -12.543 1.00 0.00 O ATOM 0 H SER A 70 -6.764 6.650 -9.745 1.00 0.00 H new ATOM 0 HA SER A 70 -5.831 3.866 -10.046 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.307 5.269 -11.775 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.756 5.949 -12.224 1.00 0.00 H new ATOM 0 HG SER A 70 -6.275 4.056 -13.459 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.392 4.444 -10.680 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.961 4.714 -10.640 1.00 0.00 C ATOM 1065 C ILE A 71 -1.269 4.203 -11.900 1.00 0.00 C ATOM 1066 O ILE A 71 -1.394 3.031 -12.256 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.300 4.069 -9.408 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.934 4.605 -8.123 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.199 4.329 -9.413 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.527 3.839 -6.883 1.00 0.00 C ATOM 0 H ILE A 71 -3.639 3.538 -11.077 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.846 5.796 -10.579 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.462 2.992 -9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.657 5.652 -8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.019 4.571 -8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.651 3.867 -8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.639 3.904 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.382 5.403 -9.392 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.014 4.274 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.828 2.796 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.445 3.894 -6.760 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.539 5.089 -12.569 1.00 0.00 N ATOM 1083 CA ARG A 72 0.173 4.727 -13.788 1.00 0.00 C ATOM 1084 C ARG A 72 1.482 4.014 -13.463 1.00 0.00 C ATOM 1085 O ARG A 72 1.731 2.905 -13.936 1.00 0.00 O ATOM 1086 CB ARG A 72 0.455 5.974 -14.629 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.799 6.631 -15.182 1.00 0.00 C ATOM 1088 CD ARG A 72 -1.364 7.659 -14.214 1.00 0.00 C ATOM 1089 NE ARG A 72 -2.278 8.588 -14.873 1.00 0.00 N ATOM 1090 CZ ARG A 72 -3.477 8.242 -15.326 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -3.906 6.995 -15.192 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -4.251 9.145 -15.915 1.00 0.00 N ATOM 0 H ARG A 72 -0.425 6.063 -12.287 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.459 4.047 -14.359 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.996 6.698 -14.020 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.109 5.703 -15.458 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.570 7.113 -16.133 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.551 5.869 -15.384 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.888 7.147 -13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.545 8.217 -13.760 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.979 9.556 -14.992 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.314 6.298 -14.740 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.828 6.732 -15.541 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.925 10.106 -16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.172 8.878 -16.263 1.00 0.00 H new ATOM 1106 N HIS A 73 2.315 4.659 -12.652 1.00 0.00 N ATOM 1107 CA HIS A 73 3.599 4.086 -12.262 1.00 0.00 C ATOM 1108 C HIS A 73 3.747 4.067 -10.744 1.00 0.00 C ATOM 1109 O HIS A 73 4.310 4.979 -10.139 1.00 0.00 O ATOM 1110 CB HIS A 73 4.746 4.880 -12.888 1.00 0.00 C ATOM 1111 CG HIS A 73 4.594 5.090 -14.364 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.380 4.452 -15.300 1.00 0.00 N ATOM 1113 CD2 HIS A 73 3.739 5.871 -15.063 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.016 4.833 -16.511 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.022 5.694 -16.395 1.00 0.00 N ATOM 0 H HIS A 73 2.124 5.578 -12.252 1.00 0.00 H new ATOM 0 HA HIS A 73 3.636 3.059 -12.626 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.816 5.850 -12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.684 4.358 -12.698 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.976 6.514 -14.650 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.456 4.497 -17.438 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.542 6.153 -17.169 1.00 0.00 H new ATOM 1123 N PRO A 74 3.230 3.002 -10.112 1.00 0.00 N ATOM 1124 CA PRO A 74 3.293 2.839 -8.657 1.00 0.00 C ATOM 1125 C PRO A 74 4.710 2.566 -8.164 1.00 0.00 C ATOM 1126 O PRO A 74 5.018 2.767 -6.989 1.00 0.00 O ATOM 1127 CB PRO A 74 2.394 1.627 -8.397 1.00 0.00 C ATOM 1128 CG PRO A 74 2.419 0.857 -9.672 1.00 0.00 C ATOM 1129 CD PRO A 74 2.546 1.877 -10.769 1.00 0.00 C ATOM 0 HA PRO A 74 2.979 3.741 -8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.767 1.029 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.380 1.934 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.256 0.159 -9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.509 0.268 -9.790 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.123 1.492 -11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.571 2.172 -11.158 1.00 0.00 H new ATOM 1137 N ASP A 75 5.568 2.108 -9.069 1.00 0.00 N ATOM 1138 CA ASP A 75 6.953 1.810 -8.727 1.00 0.00 C ATOM 1139 C ASP A 75 7.601 2.987 -8.004 1.00 0.00 C ATOM 1140 O ASP A 75 8.308 2.807 -7.012 1.00 0.00 O ATOM 1141 CB ASP A 75 7.750 1.468 -9.987 1.00 0.00 C ATOM 1142 CG ASP A 75 9.020 0.700 -9.678 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.699 1.047 -8.690 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.334 -0.251 -10.425 1.00 0.00 O ATOM 0 H ASP A 75 5.328 1.935 -10.045 1.00 0.00 H new ATOM 0 HA ASP A 75 6.958 0.949 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.126 0.878 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.004 2.388 -10.514 1.00 0.00 H new ATOM 1149 N VAL A 76 7.354 4.192 -8.507 1.00 0.00 N ATOM 1150 CA VAL A 76 7.913 5.399 -7.910 1.00 0.00 C ATOM 1151 C VAL A 76 6.855 6.161 -7.120 1.00 0.00 C ATOM 1152 O VAL A 76 7.125 6.666 -6.030 1.00 0.00 O ATOM 1153 CB VAL A 76 8.508 6.332 -8.981 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.649 5.643 -9.715 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.430 6.779 -9.957 1.00 0.00 C ATOM 0 H VAL A 76 6.770 4.358 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 76 8.707 5.080 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 76 8.907 7.217 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.057 6.317 -10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.431 5.377 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.277 4.740 -10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.868 7.438 -10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.999 5.906 -10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.649 7.314 -9.417 1.00 0.00 H new ATOM 1165 N GLU A 77 5.650 6.239 -7.676 1.00 0.00 N ATOM 1166 CA GLU A 77 4.552 6.940 -7.022 1.00 0.00 C ATOM 1167 C GLU A 77 4.191 6.272 -5.698 1.00 0.00 C ATOM 1168 O GLU A 77 4.247 6.898 -4.639 1.00 0.00 O ATOM 1169 CB GLU A 77 3.326 6.979 -7.937 1.00 0.00 C ATOM 1170 CG GLU A 77 3.547 7.763 -9.219 1.00 0.00 C ATOM 1171 CD GLU A 77 2.247 8.156 -9.894 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.323 7.318 -9.937 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.155 9.304 -10.379 1.00 0.00 O ATOM 0 H GLU A 77 5.410 5.826 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 77 4.877 7.960 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.040 5.958 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.490 7.418 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.123 8.662 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.143 7.165 -9.908 1.00 0.00 H new ATOM 1180 N VAL A 78 3.821 4.998 -5.767 1.00 0.00 N ATOM 1181 CA VAL A 78 3.452 4.244 -4.574 1.00 0.00 C ATOM 1182 C VAL A 78 4.688 3.781 -3.812 1.00 0.00 C ATOM 1183 O VAL A 78 5.608 3.205 -4.392 1.00 0.00 O ATOM 1184 CB VAL A 78 2.592 3.016 -4.930 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.191 2.262 -3.672 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.365 3.438 -5.724 1.00 0.00 C ATOM 0 H VAL A 78 3.769 4.466 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 78 2.870 4.916 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 78 3.186 2.346 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.584 1.398 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.086 1.927 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.615 2.920 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.769 2.559 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.767 4.129 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.679 3.929 -6.645 1.00 0.00 H new ATOM 1196 N ASP A 79 4.703 4.037 -2.508 1.00 0.00 N ATOM 1197 CA ASP A 79 5.826 3.645 -1.665 1.00 0.00 C ATOM 1198 C ASP A 79 5.751 2.162 -1.314 1.00 0.00 C ATOM 1199 O ASP A 79 4.724 1.517 -1.519 1.00 0.00 O ATOM 1200 CB ASP A 79 5.848 4.483 -0.386 1.00 0.00 C ATOM 1201 CG ASP A 79 7.131 4.305 0.402 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.209 4.247 -0.225 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.056 4.223 1.646 1.00 0.00 O ATOM 0 H ASP A 79 3.950 4.514 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 79 6.746 3.822 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.726 5.535 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.999 4.207 0.240 1.00 0.00 H new ATOM 1208 N GLY A 80 6.848 1.628 -0.786 1.00 0.00 N ATOM 1209 CA GLY A 80 6.886 0.225 -0.417 1.00 0.00 C ATOM 1210 C GLY A 80 7.140 -0.681 -1.606 1.00 0.00 C ATOM 1211 O GLY A 80 7.820 -1.701 -1.484 1.00 0.00 O ATOM 0 H GLY A 80 7.711 2.142 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.667 0.069 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.940 -0.050 0.050 1.00 0.00 H new ATOM 1215 N PHE A 81 6.593 -0.310 -2.758 1.00 0.00 N ATOM 1216 CA PHE A 81 6.762 -1.098 -3.974 1.00 0.00 C ATOM 1217 C PHE A 81 8.149 -1.730 -4.023 1.00 0.00 C ATOM 1218 O PHE A 81 8.290 -2.925 -4.285 1.00 0.00 O ATOM 1219 CB PHE A 81 6.544 -0.222 -5.209 1.00 0.00 C ATOM 1220 CG PHE A 81 6.480 -1.000 -6.492 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.290 -1.569 -6.914 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.611 -1.162 -7.276 1.00 0.00 C ATOM 1223 CE1 PHE A 81 5.229 -2.286 -8.094 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.556 -1.877 -8.457 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.363 -2.440 -8.867 1.00 0.00 C ATOM 0 H PHE A 81 6.029 0.531 -2.876 1.00 0.00 H new ATOM 0 HA PHE A 81 6.019 -1.895 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.618 0.340 -5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.352 0.507 -5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.400 -1.451 -6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.546 -0.724 -6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.295 -2.726 -8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.445 -1.996 -9.059 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.317 -2.999 -9.790 1.00 0.00 H new ATOM 1235 N SER A 82 9.172 -0.920 -3.770 1.00 0.00 N ATOM 1236 CA SER A 82 10.550 -1.398 -3.790 1.00 0.00 C ATOM 1237 C SER A 82 10.779 -2.439 -2.698 1.00 0.00 C ATOM 1238 O SER A 82 11.453 -3.444 -2.918 1.00 0.00 O ATOM 1239 CB SER A 82 11.520 -0.229 -3.609 1.00 0.00 C ATOM 1240 OG SER A 82 11.229 0.497 -2.428 1.00 0.00 O ATOM 0 H SER A 82 9.073 0.071 -3.549 1.00 0.00 H new ATOM 0 HA SER A 82 10.733 -1.866 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.543 -0.604 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.460 0.435 -4.472 1.00 0.00 H new ATOM 0 HG SER A 82 11.864 1.238 -2.334 1.00 0.00 H new ATOM 1246 N GLU A 83 10.213 -2.188 -1.522 1.00 0.00 N ATOM 1247 CA GLU A 83 10.356 -3.102 -0.396 1.00 0.00 C ATOM 1248 C GLU A 83 9.659 -4.429 -0.680 1.00 0.00 C ATOM 1249 O GLU A 83 10.169 -5.498 -0.340 1.00 0.00 O ATOM 1250 CB GLU A 83 9.783 -2.474 0.876 1.00 0.00 C ATOM 1251 CG GLU A 83 10.471 -1.181 1.280 1.00 0.00 C ATOM 1252 CD GLU A 83 9.825 -0.529 2.487 1.00 0.00 C ATOM 1253 OE1 GLU A 83 8.886 0.272 2.296 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.258 -0.818 3.622 1.00 0.00 O ATOM 0 H GLU A 83 9.651 -1.360 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 83 11.419 -3.294 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.721 -2.280 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.865 -3.190 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.519 -1.385 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.450 -0.485 0.441 1.00 0.00 H new ATOM 1261 N LEU A 84 8.489 -4.354 -1.304 1.00 0.00 N ATOM 1262 CA LEU A 84 7.719 -5.548 -1.635 1.00 0.00 C ATOM 1263 C LEU A 84 8.568 -6.543 -2.420 1.00 0.00 C ATOM 1264 O LEU A 84 9.655 -6.210 -2.892 1.00 0.00 O ATOM 1265 CB LEU A 84 6.476 -5.171 -2.442 1.00 0.00 C ATOM 1266 CG LEU A 84 5.463 -4.270 -1.734 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.313 -3.924 -2.667 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.945 -4.941 -0.471 1.00 0.00 C ATOM 0 H LEU A 84 8.052 -3.478 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 84 7.409 -6.020 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.798 -4.673 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.969 -6.089 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 84 5.964 -3.344 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.602 -3.282 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.699 -3.402 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.812 -4.839 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.225 -4.286 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.460 -5.882 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.778 -5.137 0.205 1.00 0.00 H new ATOM 1280 N ARG A 85 8.062 -7.764 -2.559 1.00 0.00 N ATOM 1281 CA ARG A 85 8.773 -8.807 -3.289 1.00 0.00 C ATOM 1282 C ARG A 85 8.457 -8.739 -4.780 1.00 0.00 C ATOM 1283 O ARG A 85 7.381 -8.290 -5.176 1.00 0.00 O ATOM 1284 CB ARG A 85 8.403 -10.186 -2.740 1.00 0.00 C ATOM 1285 CG ARG A 85 9.086 -10.521 -1.424 1.00 0.00 C ATOM 1286 CD ARG A 85 10.453 -11.147 -1.650 1.00 0.00 C ATOM 1287 NE ARG A 85 10.360 -12.573 -1.951 1.00 0.00 N ATOM 1288 CZ ARG A 85 11.331 -13.267 -2.534 1.00 0.00 C ATOM 1289 NH1 ARG A 85 12.464 -12.668 -2.876 1.00 0.00 N ATOM 1290 NH2 ARG A 85 11.171 -14.561 -2.775 1.00 0.00 N ATOM 0 H ARG A 85 7.163 -8.055 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 85 9.843 -8.645 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.323 -10.235 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.664 -10.944 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.194 -9.615 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.461 -11.207 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.954 -10.635 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.068 -11.004 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 85 9.502 -13.063 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.591 -11.673 -2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.209 -13.203 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.301 -15.025 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.918 -15.092 -3.223 1.00 0.00 H new ATOM 1304 N TRP A 86 9.400 -9.187 -5.600 1.00 0.00 N ATOM 1305 CA TRP A 86 9.222 -9.177 -7.048 1.00 0.00 C ATOM 1306 C TRP A 86 7.807 -9.600 -7.425 1.00 0.00 C ATOM 1307 O TRP A 86 7.111 -8.894 -8.155 1.00 0.00 O ATOM 1308 CB TRP A 86 10.240 -10.104 -7.714 1.00 0.00 C ATOM 1309 CG TRP A 86 9.984 -10.313 -9.176 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.523 -9.605 -10.212 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.124 -11.296 -9.764 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.050 -10.088 -11.408 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.191 -11.126 -11.161 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.306 -12.304 -9.247 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.470 -11.925 -12.043 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.591 -13.096 -10.124 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.677 -12.904 -11.509 1.00 0.00 C ATOM 0 H TRP A 86 10.296 -9.562 -5.288 1.00 0.00 H new ATOM 0 HA TRP A 86 9.383 -8.159 -7.402 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.239 -9.689 -7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.227 -11.070 -7.208 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.219 -8.786 -10.107 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.298 -9.731 -12.331 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.234 -12.461 -8.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 8.534 -11.778 -13.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.954 -13.877 -9.735 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.106 -13.541 -12.168 1.00 0.00 H new ATOM 1328 N ASP A 87 7.386 -10.756 -6.924 1.00 0.00 N ATOM 1329 CA ASP A 87 6.052 -11.273 -7.207 1.00 0.00 C ATOM 1330 C ASP A 87 4.999 -10.184 -7.030 1.00 0.00 C ATOM 1331 O ASP A 87 4.283 -9.840 -7.971 1.00 0.00 O ATOM 1332 CB ASP A 87 5.737 -12.459 -6.295 1.00 0.00 C ATOM 1333 CG ASP A 87 4.398 -13.095 -6.613 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.073 -13.224 -7.812 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.674 -13.462 -5.664 1.00 0.00 O ATOM 0 H ASP A 87 7.950 -11.353 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 87 6.031 -11.608 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.524 -13.207 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.740 -12.126 -5.257 1.00 0.00 H new ATOM 1340 N ASP A 88 4.909 -9.648 -5.818 1.00 0.00 N ATOM 1341 CA ASP A 88 3.942 -8.598 -5.517 1.00 0.00 C ATOM 1342 C ASP A 88 4.111 -7.416 -6.467 1.00 0.00 C ATOM 1343 O ASP A 88 3.136 -6.916 -7.028 1.00 0.00 O ATOM 1344 CB ASP A 88 4.099 -8.131 -4.069 1.00 0.00 C ATOM 1345 CG ASP A 88 3.791 -9.229 -3.070 1.00 0.00 C ATOM 1346 OD1 ASP A 88 4.370 -10.328 -3.200 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.971 -8.990 -2.159 1.00 0.00 O ATOM 0 H ASP A 88 5.493 -9.923 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 88 2.942 -9.009 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.118 -7.777 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.437 -7.284 -3.890 1.00 0.00 H new ATOM 1352 N GLN A 89 5.352 -6.974 -6.639 1.00 0.00 N ATOM 1353 CA GLN A 89 5.647 -5.849 -7.520 1.00 0.00 C ATOM 1354 C GLN A 89 4.922 -5.998 -8.853 1.00 0.00 C ATOM 1355 O GLN A 89 4.335 -5.042 -9.360 1.00 0.00 O ATOM 1356 CB GLN A 89 7.154 -5.740 -7.754 1.00 0.00 C ATOM 1357 CG GLN A 89 7.940 -5.378 -6.504 1.00 0.00 C ATOM 1358 CD GLN A 89 9.340 -4.887 -6.816 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.679 -4.639 -7.974 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.161 -4.742 -5.783 1.00 0.00 N ATOM 0 H GLN A 89 6.169 -7.377 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 89 5.295 -4.938 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.522 -6.690 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.341 -4.988 -8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.403 -4.606 -5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.002 -6.250 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.838 -4.959 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.115 -4.413 -5.932 1.00 0.00 H new ATOM 1369 N GLN A 90 4.968 -7.201 -9.416 1.00 0.00 N ATOM 1370 CA GLN A 90 4.316 -7.473 -10.691 1.00 0.00 C ATOM 1371 C GLN A 90 2.799 -7.393 -10.555 1.00 0.00 C ATOM 1372 O GLN A 90 2.121 -6.790 -11.387 1.00 0.00 O ATOM 1373 CB GLN A 90 4.721 -8.853 -11.211 1.00 0.00 C ATOM 1374 CG GLN A 90 6.141 -8.906 -11.753 1.00 0.00 C ATOM 1375 CD GLN A 90 6.242 -8.390 -13.175 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.925 -9.101 -14.129 1.00 0.00 O ATOM 1377 NE2 GLN A 90 6.686 -7.148 -13.324 1.00 0.00 N ATOM 0 H GLN A 90 5.450 -8.003 -9.009 1.00 0.00 H new ATOM 0 HA GLN A 90 4.639 -6.715 -11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.621 -9.580 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.029 -9.153 -11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.794 -8.316 -11.109 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.502 -9.934 -11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.937 -6.595 -12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.776 -6.747 -14.258 1.00 0.00 H new ATOM 1386 N LYS A 91 2.271 -8.006 -9.501 1.00 0.00 N ATOM 1387 CA LYS A 91 0.834 -8.004 -9.254 1.00 0.00 C ATOM 1388 C LYS A 91 0.285 -6.581 -9.246 1.00 0.00 C ATOM 1389 O LYS A 91 -0.615 -6.248 -10.018 1.00 0.00 O ATOM 1390 CB LYS A 91 0.524 -8.689 -7.922 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.943 -8.626 -7.532 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.176 -9.197 -6.144 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.336 -10.709 -6.183 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.732 -11.111 -6.508 1.00 0.00 N ATOM 0 H LYS A 91 2.818 -8.511 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 91 0.351 -8.556 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.831 -9.733 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.120 -8.224 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.284 -7.591 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.538 -9.180 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.339 -8.935 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.068 -8.747 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.656 -11.127 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.052 -11.129 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.799 -12.149 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.379 -10.734 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.994 -10.732 -7.440 1.00 0.00 H new ATOM 1408 N VAL A 92 0.834 -5.745 -8.371 1.00 0.00 N ATOM 1409 CA VAL A 92 0.401 -4.357 -8.265 1.00 0.00 C ATOM 1410 C VAL A 92 0.453 -3.660 -9.620 1.00 0.00 C ATOM 1411 O VAL A 92 -0.494 -2.982 -10.019 1.00 0.00 O ATOM 1412 CB VAL A 92 1.269 -3.573 -7.263 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.820 -2.121 -7.188 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.218 -4.226 -5.889 1.00 0.00 C ATOM 0 H VAL A 92 1.580 -6.005 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.629 -4.373 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 92 2.302 -3.592 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.445 -1.583 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.913 -1.660 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.220 -2.078 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.837 -3.659 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.189 -4.240 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.592 -5.248 -5.958 1.00 0.00 H new ATOM 1424 N LYS A 93 1.567 -3.830 -10.324 1.00 0.00 N ATOM 1425 CA LYS A 93 1.744 -3.219 -11.636 1.00 0.00 C ATOM 1426 C LYS A 93 0.620 -3.627 -12.582 1.00 0.00 C ATOM 1427 O LYS A 93 0.017 -2.784 -13.247 1.00 0.00 O ATOM 1428 CB LYS A 93 3.096 -3.621 -12.230 1.00 0.00 C ATOM 1429 CG LYS A 93 4.266 -2.832 -11.668 1.00 0.00 C ATOM 1430 CD LYS A 93 5.447 -2.830 -12.623 1.00 0.00 C ATOM 1431 CE LYS A 93 6.180 -4.163 -12.606 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.272 -4.209 -13.618 1.00 0.00 N ATOM 0 H LYS A 93 2.361 -4.386 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 93 1.716 -2.136 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.263 -4.682 -12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.063 -3.486 -13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.954 -1.806 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.570 -3.261 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.099 -2.618 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.136 -2.031 -12.349 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.597 -4.335 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.472 -4.969 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.967 -4.934 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.873 -4.444 -14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.740 -3.282 -13.666 1.00 0.00 H new ATOM 1446 N LYS A 94 0.341 -4.925 -12.638 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.713 -5.446 -13.501 1.00 0.00 C ATOM 1448 C LYS A 94 -2.076 -4.905 -13.081 1.00 0.00 C ATOM 1449 O LYS A 94 -2.787 -4.294 -13.879 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.724 -6.975 -13.461 1.00 0.00 C ATOM 1451 CG LYS A 94 0.516 -7.609 -14.068 1.00 0.00 C ATOM 1452 CD LYS A 94 0.395 -9.122 -14.129 1.00 0.00 C ATOM 1453 CE LYS A 94 1.391 -9.721 -15.111 1.00 0.00 C ATOM 1454 NZ LYS A 94 1.401 -11.209 -15.053 1.00 0.00 N ATOM 0 H LYS A 94 0.831 -5.636 -12.095 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.510 -5.118 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.819 -7.302 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.604 -7.338 -13.992 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.673 -7.215 -15.072 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.391 -7.336 -13.478 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.563 -9.542 -13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.618 -9.396 -14.424 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.143 -9.399 -16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.389 -9.342 -14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.092 -11.578 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.663 -11.517 -14.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.455 -11.572 -15.287 1.00 0.00 H new ATOM 1468 N THR A 95 -2.436 -5.134 -11.821 1.00 0.00 N ATOM 1469 CA THR A 95 -3.713 -4.670 -11.295 1.00 0.00 C ATOM 1470 C THR A 95 -3.917 -3.186 -11.576 1.00 0.00 C ATOM 1471 O THR A 95 -4.901 -2.792 -12.202 1.00 0.00 O ATOM 1472 CB THR A 95 -3.817 -4.912 -9.778 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.686 -6.310 -9.495 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.146 -4.403 -9.238 1.00 0.00 C ATOM 0 H THR A 95 -1.860 -5.638 -11.147 1.00 0.00 H new ATOM 0 HA THR A 95 -4.490 -5.243 -11.801 1.00 0.00 H new ATOM 0 HB THR A 95 -3.011 -4.365 -9.289 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.751 -6.581 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.196 -4.585 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.231 -3.333 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.964 -4.926 -9.733 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.981 -2.366 -11.111 1.00 0.00 N ATOM 1483 CA ALA A 96 -3.057 -0.924 -11.315 1.00 0.00 C ATOM 1484 C ALA A 96 -3.372 -0.592 -12.769 1.00 0.00 C ATOM 1485 O ALA A 96 -4.240 0.234 -13.052 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.755 -0.262 -10.890 1.00 0.00 C ATOM 0 H ALA A 96 -2.160 -2.675 -10.590 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.867 -0.536 -10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.826 0.814 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.572 -0.463 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.933 -0.662 -11.483 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.661 -1.240 -13.687 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.866 -1.010 -15.113 1.00 0.00 C ATOM 1494 C GLU A 97 -4.331 -1.208 -15.491 1.00 0.00 C ATOM 1495 O GLU A 97 -4.907 -0.404 -16.224 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.984 -1.952 -15.935 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.538 -1.496 -16.041 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.357 -0.355 -17.023 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.243 0.523 -17.084 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.672 -0.340 -17.731 1.00 0.00 O ATOM 0 H GLU A 97 -1.939 -1.927 -13.469 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.588 0.021 -15.333 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.011 -2.945 -15.486 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.401 -2.044 -16.938 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.186 -1.183 -15.058 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.083 -2.337 -16.349 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.927 -2.283 -14.986 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.324 -2.586 -15.270 1.00 0.00 C ATOM 1509 C ALA A 98 -7.252 -1.599 -14.569 1.00 0.00 C ATOM 1510 O ALA A 98 -8.226 -1.126 -15.154 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.651 -4.011 -14.849 1.00 0.00 C ATOM 0 H ALA A 98 -4.464 -2.959 -14.378 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.480 -2.492 -16.345 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.698 -4.224 -15.067 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.017 -4.707 -15.398 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.473 -4.124 -13.780 1.00 0.00 H new