USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 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= -0.244 K(o=-0.24,f=-1.4) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -4.24! C(o=-4.9!,f=-4.5!) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= -0.614 USER MOD Set 3.1: A 28 CYS SG : rot 22:sc= -0.535 USER MOD Set 3.2: A 31 CYS SG : rot -55:sc= -1.01 USER MOD Set 3.3: A 60 HIS : no HE2:sc=-0.00445 K(o=-4,f=-5) USER MOD Set 3.4: A 63 CYS SG : rot -170:sc= -2.5 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= 0.017 (180deg=-0.963) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 46:sc= 0.735 USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= 1.18 (180deg=-0.16) USER MOD Single : A 39 SER OG : rot -117:sc= 1.19 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 160:sc= -2.82 (180deg=-3.45) USER MOD Single : A 47 GLN : amide:sc= -3.13 X(o=-3.1,f=-3.5!) 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= -0.0945 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -3.37! K(o=-3.4!,f=-1.2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0788 K(o=0.079,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -137:sc= 0.131 (180deg=-0.0565) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 168:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.324 10.253 -2.102 1.00 0.00 N ATOM 165 CA LEU A 15 0.917 10.333 -1.724 1.00 0.00 C ATOM 166 C LEU A 15 0.387 8.964 -1.307 1.00 0.00 C ATOM 167 O LEU A 15 -0.337 8.842 -0.319 1.00 0.00 O ATOM 168 CB LEU A 15 0.087 10.882 -2.884 1.00 0.00 C ATOM 169 CG LEU A 15 0.192 12.388 -3.131 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.511 12.726 -3.809 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.981 12.874 -3.970 1.00 0.00 C ATOM 0 HA LEU A 15 0.833 11.010 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.385 10.363 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.959 10.636 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 15 0.160 12.898 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.569 13.801 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.338 12.413 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.573 12.206 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.890 13.947 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.981 12.357 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.914 12.666 -3.446 1.00 0.00 H new ATOM 183 N TYR A 16 0.755 7.938 -2.066 1.00 0.00 N ATOM 184 CA TYR A 16 0.316 6.578 -1.776 1.00 0.00 C ATOM 185 C TYR A 16 1.425 5.781 -1.094 1.00 0.00 C ATOM 186 O TYR A 16 2.607 6.093 -1.239 1.00 0.00 O ATOM 187 CB TYR A 16 -0.116 5.873 -3.063 1.00 0.00 C ATOM 188 CG TYR A 16 -1.072 6.686 -3.906 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.401 6.839 -3.533 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.645 7.302 -5.077 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.278 7.580 -4.301 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.515 8.046 -5.850 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.830 8.182 -5.459 1.00 0.00 C ATOM 194 OH TYR A 16 -3.700 8.922 -6.226 1.00 0.00 O ATOM 0 H TYR A 16 1.356 8.022 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.535 6.636 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.769 5.640 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.587 4.924 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.755 6.370 -2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.384 7.197 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.309 7.688 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.167 8.519 -6.756 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.226 9.279 -7.006 1.00 0.00 H new ATOM 204 N ARG A 17 1.033 4.751 -0.351 1.00 0.00 N ATOM 205 CA ARG A 17 1.993 3.910 0.354 1.00 0.00 C ATOM 206 C ARG A 17 1.426 2.511 0.579 1.00 0.00 C ATOM 207 O ARG A 17 0.522 2.319 1.392 1.00 0.00 O ATOM 208 CB ARG A 17 2.368 4.541 1.695 1.00 0.00 C ATOM 209 CG ARG A 17 3.556 3.875 2.371 1.00 0.00 C ATOM 210 CD ARG A 17 3.545 4.108 3.873 1.00 0.00 C ATOM 211 NE ARG A 17 4.661 3.440 4.539 1.00 0.00 N ATOM 212 CZ ARG A 17 5.158 3.829 5.708 1.00 0.00 C ATOM 213 NH1 ARG A 17 4.641 4.875 6.337 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.174 3.170 6.250 1.00 0.00 N ATOM 0 H ARG A 17 0.058 4.479 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 17 2.888 3.827 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.594 5.596 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.508 4.494 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.538 2.804 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.482 4.265 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.591 5.178 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.605 3.746 4.289 1.00 0.00 H new ATOM 0 HE ARG A 17 5.081 2.631 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.859 5.384 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.025 5.171 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.574 2.364 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.555 3.469 7.148 1.00 0.00 H new ATOM 228 N VAL A 18 1.963 1.536 -0.148 1.00 0.00 N ATOM 229 CA VAL A 18 1.512 0.155 -0.028 1.00 0.00 C ATOM 230 C VAL A 18 2.478 -0.667 0.818 1.00 0.00 C ATOM 231 O VAL A 18 3.689 -0.637 0.600 1.00 0.00 O ATOM 232 CB VAL A 18 1.364 -0.509 -1.410 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.706 -0.564 -2.123 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.768 -1.902 -1.269 1.00 0.00 C ATOM 0 H VAL A 18 2.711 1.678 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 18 0.538 0.181 0.460 1.00 0.00 H new ATOM 0 HB VAL A 18 0.685 0.093 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.581 -1.036 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.089 0.448 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.411 -1.143 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.670 -2.357 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.421 -2.516 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.215 -1.832 -0.802 1.00 0.00 H new ATOM 244 N GLU A 19 1.934 -1.401 1.783 1.00 0.00 N ATOM 245 CA GLU A 19 2.749 -2.232 2.662 1.00 0.00 C ATOM 246 C GLU A 19 1.891 -3.269 3.381 1.00 0.00 C ATOM 247 O GLU A 19 0.720 -3.026 3.674 1.00 0.00 O ATOM 248 CB GLU A 19 3.482 -1.363 3.686 1.00 0.00 C ATOM 249 CG GLU A 19 2.586 -0.848 4.800 1.00 0.00 C ATOM 250 CD GLU A 19 3.194 0.328 5.541 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.437 0.389 5.636 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.426 1.185 6.025 1.00 0.00 O ATOM 0 H GLU A 19 0.933 -1.437 1.976 1.00 0.00 H new ATOM 0 HA GLU A 19 3.482 -2.755 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.296 -1.941 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.934 -0.514 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.625 -0.551 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.390 -1.655 5.506 1.00 0.00 H new ATOM 259 N TYR A 20 2.481 -4.425 3.661 1.00 0.00 N ATOM 260 CA TYR A 20 1.771 -5.501 4.342 1.00 0.00 C ATOM 261 C TYR A 20 1.273 -5.045 5.710 1.00 0.00 C ATOM 262 O TYR A 20 2.065 -4.769 6.610 1.00 0.00 O ATOM 263 CB TYR A 20 2.680 -6.721 4.499 1.00 0.00 C ATOM 264 CG TYR A 20 3.345 -7.151 3.210 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.597 -7.657 2.155 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.721 -7.051 3.049 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.200 -8.052 0.976 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.333 -7.441 1.873 1.00 0.00 C ATOM 269 CZ TYR A 20 4.568 -7.941 0.840 1.00 0.00 C ATOM 270 OH TYR A 20 5.174 -8.333 -0.332 1.00 0.00 O ATOM 0 H TYR A 20 3.450 -4.641 3.427 1.00 0.00 H new ATOM 0 HA TYR A 20 0.909 -5.774 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.449 -6.498 5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.094 -7.552 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.525 -7.743 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.323 -6.662 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.604 -8.445 0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.404 -7.355 1.763 1.00 0.00 H new ATOM 0 HH TYR A 20 6.141 -8.188 -0.265 1.00 0.00 H new ATOM 280 N ALA A 21 -0.046 -4.968 5.856 1.00 0.00 N ATOM 281 CA ALA A 21 -0.651 -4.548 7.114 1.00 0.00 C ATOM 282 C ALA A 21 0.151 -5.058 8.307 1.00 0.00 C ATOM 283 O ALA A 21 0.690 -6.165 8.278 1.00 0.00 O ATOM 284 CB ALA A 21 -2.090 -5.036 7.196 1.00 0.00 C ATOM 0 H ALA A 21 -0.715 -5.191 5.119 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.645 -3.458 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.530 -4.715 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.664 -4.618 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.109 -6.124 7.138 1.00 0.00 H new ATOM 290 N LYS A 22 0.226 -4.245 9.354 1.00 0.00 N ATOM 291 CA LYS A 22 0.962 -4.613 10.558 1.00 0.00 C ATOM 292 C LYS A 22 0.030 -5.225 11.599 1.00 0.00 C ATOM 293 O LYS A 22 0.368 -6.221 12.239 1.00 0.00 O ATOM 294 CB LYS A 22 1.665 -3.387 11.146 1.00 0.00 C ATOM 295 CG LYS A 22 2.873 -2.936 10.344 1.00 0.00 C ATOM 296 CD LYS A 22 4.046 -3.886 10.520 1.00 0.00 C ATOM 297 CE LYS A 22 5.371 -3.194 10.241 1.00 0.00 C ATOM 298 NZ LYS A 22 5.830 -2.385 11.404 1.00 0.00 N ATOM 0 H LYS A 22 -0.214 -3.326 9.394 1.00 0.00 H new ATOM 0 HA LYS A 22 1.710 -5.356 10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.952 -2.565 11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.980 -3.613 12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.608 -2.875 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.165 -1.934 10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.047 -4.280 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.930 -4.737 9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.127 -3.941 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.267 -2.549 9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.736 -1.929 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.121 -1.656 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.954 -3.004 12.230 1.00 0.00 H new ATOM 312 N SER A 23 -1.144 -4.625 11.762 1.00 0.00 N ATOM 313 CA SER A 23 -2.124 -5.110 12.727 1.00 0.00 C ATOM 314 C SER A 23 -3.533 -5.053 12.146 1.00 0.00 C ATOM 315 O SER A 23 -3.752 -4.495 11.072 1.00 0.00 O ATOM 316 CB SER A 23 -2.056 -4.285 14.014 1.00 0.00 C ATOM 317 OG SER A 23 -2.633 -4.987 15.101 1.00 0.00 O ATOM 0 H SER A 23 -1.440 -3.802 11.238 1.00 0.00 H new ATOM 0 HA SER A 23 -1.887 -6.149 12.957 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.017 -4.046 14.242 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.577 -3.338 13.871 1.00 0.00 H new ATOM 0 HG SER A 23 -2.575 -4.439 15.912 1.00 0.00 H new ATOM 323 N GLY A 24 -4.488 -5.635 12.866 1.00 0.00 N ATOM 324 CA GLY A 24 -5.865 -5.640 12.407 1.00 0.00 C ATOM 325 C GLY A 24 -6.683 -4.520 13.018 1.00 0.00 C ATOM 326 O GLY A 24 -7.798 -4.743 13.492 1.00 0.00 O ATOM 0 H GLY A 24 -4.332 -6.103 13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.883 -5.548 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.324 -6.597 12.654 1.00 0.00 H new ATOM 330 N ARG A 25 -6.129 -3.312 13.010 1.00 0.00 N ATOM 331 CA ARG A 25 -6.815 -2.153 13.571 1.00 0.00 C ATOM 332 C ARG A 25 -7.207 -1.170 12.472 1.00 0.00 C ATOM 333 O ARG A 25 -8.313 -0.630 12.475 1.00 0.00 O ATOM 334 CB ARG A 25 -5.924 -1.456 14.600 1.00 0.00 C ATOM 335 CG ARG A 25 -5.896 -2.150 15.952 1.00 0.00 C ATOM 336 CD ARG A 25 -5.348 -1.236 17.036 1.00 0.00 C ATOM 337 NE ARG A 25 -5.192 -1.931 18.311 1.00 0.00 N ATOM 338 CZ ARG A 25 -4.711 -1.356 19.408 1.00 0.00 C ATOM 339 NH1 ARG A 25 -4.342 -0.083 19.386 1.00 0.00 N ATOM 340 NH2 ARG A 25 -4.599 -2.055 20.530 1.00 0.00 N ATOM 0 H ARG A 25 -5.208 -3.110 12.622 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.723 -2.502 14.064 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.908 -1.399 14.209 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.271 -0.432 14.734 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.903 -2.470 16.219 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.283 -3.049 15.888 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.384 -0.837 16.720 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.018 -0.386 17.166 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.467 -2.912 18.362 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.427 0.458 18.525 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.973 0.356 20.230 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.882 -3.035 20.551 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.230 -1.613 21.372 1.00 0.00 H new ATOM 354 N ALA A 26 -6.293 -0.942 11.535 1.00 0.00 N ATOM 355 CA ALA A 26 -6.544 -0.025 10.430 1.00 0.00 C ATOM 356 C ALA A 26 -7.914 -0.277 9.808 1.00 0.00 C ATOM 357 O ALA A 26 -8.258 -1.412 9.480 1.00 0.00 O ATOM 358 CB ALA A 26 -5.453 -0.155 9.378 1.00 0.00 C ATOM 0 H ALA A 26 -5.372 -1.380 11.519 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.534 0.991 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.653 0.536 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.487 0.082 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.436 -1.176 8.996 1.00 0.00 H new ATOM 364 N SER A 27 -8.691 0.790 9.650 1.00 0.00 N ATOM 365 CA SER A 27 -10.026 0.683 9.071 1.00 0.00 C ATOM 366 C SER A 27 -10.009 1.063 7.594 1.00 0.00 C ATOM 367 O SER A 27 -9.058 1.676 7.109 1.00 0.00 O ATOM 368 CB SER A 27 -11.006 1.580 9.829 1.00 0.00 C ATOM 369 OG SER A 27 -10.602 2.938 9.775 1.00 0.00 O ATOM 0 H SER A 27 -8.420 1.737 9.914 1.00 0.00 H new ATOM 0 HA SER A 27 -10.352 -0.354 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.003 1.477 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.070 1.257 10.868 1.00 0.00 H new ATOM 0 HG SER A 27 -11.246 3.491 10.265 1.00 0.00 H new ATOM 375 N CYS A 28 -11.070 0.695 6.883 1.00 0.00 N ATOM 376 CA CYS A 28 -11.180 0.995 5.461 1.00 0.00 C ATOM 377 C CYS A 28 -12.309 1.988 5.200 1.00 0.00 C ATOM 378 O CYS A 28 -13.381 1.898 5.799 1.00 0.00 O ATOM 379 CB CYS A 28 -11.420 -0.288 4.664 1.00 0.00 C ATOM 380 SG CYS A 28 -11.562 -0.032 2.866 1.00 0.00 S ATOM 0 H CYS A 28 -11.866 0.188 7.269 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.242 1.445 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.602 -0.982 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.332 -0.762 5.026 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.990 1.089 2.541 1.00 0.00 H new ATOM 385 N LYS A 29 -12.061 2.935 4.302 1.00 0.00 N ATOM 386 CA LYS A 29 -13.056 3.945 3.959 1.00 0.00 C ATOM 387 C LYS A 29 -13.723 3.620 2.626 1.00 0.00 C ATOM 388 O LYS A 29 -14.103 4.519 1.875 1.00 0.00 O ATOM 389 CB LYS A 29 -12.406 5.329 3.893 1.00 0.00 C ATOM 390 CG LYS A 29 -11.772 5.766 5.202 1.00 0.00 C ATOM 391 CD LYS A 29 -12.783 6.442 6.113 1.00 0.00 C ATOM 392 CE LYS A 29 -12.874 7.935 5.832 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.558 8.665 6.935 1.00 0.00 N ATOM 0 H LYS A 29 -11.179 3.025 3.798 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.820 3.946 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.645 5.327 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.159 6.061 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.347 4.900 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.949 6.451 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.762 5.984 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.501 6.283 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.872 8.341 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.414 8.097 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.600 9.679 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.523 8.295 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.029 8.532 7.820 1.00 0.00 H new ATOM 407 N LYS A 30 -13.863 2.331 2.338 1.00 0.00 N ATOM 408 CA LYS A 30 -14.487 1.887 1.097 1.00 0.00 C ATOM 409 C LYS A 30 -15.528 0.806 1.368 1.00 0.00 C ATOM 410 O LYS A 30 -16.619 0.823 0.798 1.00 0.00 O ATOM 411 CB LYS A 30 -13.426 1.358 0.130 1.00 0.00 C ATOM 412 CG LYS A 30 -14.006 0.627 -1.069 1.00 0.00 C ATOM 413 CD LYS A 30 -14.354 1.587 -2.194 1.00 0.00 C ATOM 414 CE LYS A 30 -15.808 2.027 -2.122 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.742 0.872 -2.228 1.00 0.00 N ATOM 0 H LYS A 30 -13.553 1.574 2.948 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.988 2.743 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.819 2.192 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.760 0.684 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.288 -0.111 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.900 0.081 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.705 2.461 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.165 1.107 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.983 2.551 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.013 2.735 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.616 1.175 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.294 0.112 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.969 0.521 -1.276 1.00 0.00 H new ATOM 429 N CYS A 31 -15.185 -0.134 2.242 1.00 0.00 N ATOM 430 CA CYS A 31 -16.089 -1.223 2.590 1.00 0.00 C ATOM 431 C CYS A 31 -16.476 -1.159 4.065 1.00 0.00 C ATOM 432 O CYS A 31 -17.301 -1.943 4.535 1.00 0.00 O ATOM 433 CB CYS A 31 -15.439 -2.573 2.280 1.00 0.00 C ATOM 434 SG CYS A 31 -13.972 -2.942 3.295 1.00 0.00 S ATOM 0 H CYS A 31 -14.286 -0.163 2.723 1.00 0.00 H new ATOM 0 HA CYS A 31 -16.993 -1.117 1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.177 -3.362 2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.155 -2.594 1.228 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.112 -1.974 3.182 1.00 0.00 H new ATOM 439 N SER A 32 -15.874 -0.221 4.788 1.00 0.00 N ATOM 440 CA SER A 32 -16.153 -0.056 6.210 1.00 0.00 C ATOM 441 C SER A 32 -15.884 -1.352 6.970 1.00 0.00 C ATOM 442 O SER A 32 -16.740 -1.840 7.706 1.00 0.00 O ATOM 443 CB SER A 32 -17.604 0.380 6.420 1.00 0.00 C ATOM 444 OG SER A 32 -17.763 1.765 6.163 1.00 0.00 O ATOM 0 H SER A 32 -15.190 0.436 4.413 1.00 0.00 H new ATOM 0 HA SER A 32 -15.490 0.717 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.258 -0.193 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.909 0.159 7.443 1.00 0.00 H new ATOM 0 HG SER A 32 -18.699 2.018 6.303 1.00 0.00 H new ATOM 450 N GLU A 33 -14.688 -1.902 6.785 1.00 0.00 N ATOM 451 CA GLU A 33 -14.307 -3.141 7.452 1.00 0.00 C ATOM 452 C GLU A 33 -12.963 -2.987 8.160 1.00 0.00 C ATOM 453 O GLU A 33 -12.297 -1.959 8.033 1.00 0.00 O ATOM 454 CB GLU A 33 -14.234 -4.288 6.442 1.00 0.00 C ATOM 455 CG GLU A 33 -15.585 -4.675 5.863 1.00 0.00 C ATOM 456 CD GLU A 33 -16.287 -5.741 6.682 1.00 0.00 C ATOM 457 OE1 GLU A 33 -16.025 -5.821 7.900 1.00 0.00 O ATOM 458 OE2 GLU A 33 -17.099 -6.494 6.105 1.00 0.00 O ATOM 0 H GLU A 33 -13.967 -1.509 6.179 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.068 -3.370 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.567 -4.003 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.792 -5.159 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.219 -3.790 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.449 -5.036 4.844 1.00 0.00 H new ATOM 465 N SER A 34 -12.573 -4.015 8.906 1.00 0.00 N ATOM 466 CA SER A 34 -11.312 -3.993 9.637 1.00 0.00 C ATOM 467 C SER A 34 -10.228 -4.748 8.875 1.00 0.00 C ATOM 468 O SER A 34 -10.216 -5.980 8.847 1.00 0.00 O ATOM 469 CB SER A 34 -11.494 -4.606 11.028 1.00 0.00 C ATOM 470 OG SER A 34 -11.955 -5.943 10.939 1.00 0.00 O ATOM 0 H SER A 34 -13.112 -4.873 9.020 1.00 0.00 H new ATOM 0 HA SER A 34 -11.000 -2.954 9.743 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.547 -4.579 11.567 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.204 -4.010 11.601 1.00 0.00 H new ATOM 0 HG SER A 34 -11.432 -6.425 10.265 1.00 0.00 H new ATOM 476 N ILE A 35 -9.319 -4.002 8.257 1.00 0.00 N ATOM 477 CA ILE A 35 -8.230 -4.600 7.495 1.00 0.00 C ATOM 478 C ILE A 35 -7.520 -5.680 8.304 1.00 0.00 C ATOM 479 O ILE A 35 -7.083 -5.457 9.434 1.00 0.00 O ATOM 480 CB ILE A 35 -7.200 -3.541 7.058 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.882 -2.438 6.246 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.085 -4.188 6.251 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.177 -1.103 6.328 1.00 0.00 C ATOM 0 H ILE A 35 -9.315 -2.982 8.269 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.676 -5.049 6.608 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.763 -3.092 7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.936 -2.747 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.907 -2.320 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.365 -3.427 5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.584 -4.940 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.506 -4.661 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.716 -0.369 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.146 -0.771 7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.160 -1.205 5.949 1.00 0.00 H new ATOM 495 N PRO A 36 -7.399 -6.878 7.715 1.00 0.00 N ATOM 496 CA PRO A 36 -6.740 -8.016 8.363 1.00 0.00 C ATOM 497 C PRO A 36 -5.234 -7.818 8.490 1.00 0.00 C ATOM 498 O PRO A 36 -4.633 -7.045 7.744 1.00 0.00 O ATOM 499 CB PRO A 36 -7.048 -9.186 7.424 1.00 0.00 C ATOM 500 CG PRO A 36 -7.272 -8.554 6.093 1.00 0.00 C ATOM 501 CD PRO A 36 -7.896 -7.214 6.370 1.00 0.00 C ATOM 0 HA PRO A 36 -7.094 -8.165 9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.221 -9.896 7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.929 -9.737 7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.333 -8.443 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.926 -9.169 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.594 -6.470 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.985 -7.265 6.345 1.00 0.00 H new ATOM 509 N LYS A 37 -4.628 -8.521 9.441 1.00 0.00 N ATOM 510 CA LYS A 37 -3.191 -8.425 9.667 1.00 0.00 C ATOM 511 C LYS A 37 -2.421 -9.227 8.622 1.00 0.00 C ATOM 512 O LYS A 37 -2.844 -10.312 8.224 1.00 0.00 O ATOM 513 CB LYS A 37 -2.839 -8.924 11.070 1.00 0.00 C ATOM 514 CG LYS A 37 -1.346 -8.969 11.343 1.00 0.00 C ATOM 515 CD LYS A 37 -1.053 -9.376 12.777 1.00 0.00 C ATOM 516 CE LYS A 37 0.369 -9.893 12.931 1.00 0.00 C ATOM 517 NZ LYS A 37 1.373 -8.799 12.817 1.00 0.00 N ATOM 0 H LYS A 37 -5.111 -9.164 10.068 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.904 -7.377 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.315 -8.277 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.255 -9.922 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.871 -9.673 10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.909 -7.990 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.204 -8.522 13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.757 -10.147 13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.474 -10.383 13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.566 -10.647 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.043 -9.021 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.888 -7.904 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.889 -8.707 13.715 1.00 0.00 H new ATOM 531 N ASP A 38 -1.289 -8.687 8.184 1.00 0.00 N ATOM 532 CA ASP A 38 -0.459 -9.354 7.188 1.00 0.00 C ATOM 533 C ASP A 38 -1.167 -9.406 5.838 1.00 0.00 C ATOM 534 O ASP A 38 -1.093 -10.407 5.125 1.00 0.00 O ATOM 535 CB ASP A 38 -0.110 -10.770 7.649 1.00 0.00 C ATOM 536 CG ASP A 38 1.080 -11.344 6.905 1.00 0.00 C ATOM 537 OD1 ASP A 38 1.976 -10.562 6.527 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.113 -12.576 6.701 1.00 0.00 O ATOM 0 H ASP A 38 -0.925 -7.789 8.503 1.00 0.00 H new ATOM 0 HA ASP A 38 0.461 -8.780 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.104 -10.759 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.973 -11.419 7.504 1.00 0.00 H new ATOM 543 N SER A 39 -1.852 -8.320 5.493 1.00 0.00 N ATOM 544 CA SER A 39 -2.578 -8.244 4.230 1.00 0.00 C ATOM 545 C SER A 39 -2.099 -7.057 3.400 1.00 0.00 C ATOM 546 O SER A 39 -1.726 -6.015 3.941 1.00 0.00 O ATOM 547 CB SER A 39 -4.081 -8.127 4.487 1.00 0.00 C ATOM 548 OG SER A 39 -4.400 -6.888 5.095 1.00 0.00 O ATOM 0 H SER A 39 -1.919 -7.481 6.070 1.00 0.00 H new ATOM 0 HA SER A 39 -2.383 -9.159 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.622 -8.224 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.408 -8.945 5.129 1.00 0.00 H new ATOM 0 HG SER A 39 -4.781 -7.048 5.984 1.00 0.00 H new ATOM 554 N LEU A 40 -2.112 -7.221 2.082 1.00 0.00 N ATOM 555 CA LEU A 40 -1.679 -6.164 1.174 1.00 0.00 C ATOM 556 C LEU A 40 -2.706 -5.037 1.122 1.00 0.00 C ATOM 557 O LEU A 40 -3.805 -5.209 0.596 1.00 0.00 O ATOM 558 CB LEU A 40 -1.455 -6.730 -0.229 1.00 0.00 C ATOM 559 CG LEU A 40 -0.744 -5.806 -1.219 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.658 -5.476 -0.729 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.691 -6.444 -2.600 1.00 0.00 C ATOM 0 H LEU A 40 -2.418 -8.076 1.618 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.740 -5.758 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.876 -7.649 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.424 -7.003 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.310 -4.877 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.149 -4.818 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.597 -4.978 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.234 -6.396 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.182 -5.773 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.148 -7.388 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.705 -6.629 -2.954 1.00 0.00 H new ATOM 573 N ARG A 41 -2.339 -3.883 1.670 1.00 0.00 N ATOM 574 CA ARG A 41 -3.227 -2.728 1.685 1.00 0.00 C ATOM 575 C ARG A 41 -2.507 -1.481 1.179 1.00 0.00 C ATOM 576 O ARG A 41 -1.279 -1.404 1.215 1.00 0.00 O ATOM 577 CB ARG A 41 -3.758 -2.484 3.100 1.00 0.00 C ATOM 578 CG ARG A 41 -2.742 -1.839 4.028 1.00 0.00 C ATOM 579 CD ARG A 41 -3.153 -1.978 5.486 1.00 0.00 C ATOM 580 NE ARG A 41 -2.171 -1.385 6.390 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.286 -1.403 7.713 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.335 -1.981 8.283 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.351 -0.842 8.469 1.00 0.00 N ATOM 0 H ARG A 41 -1.432 -3.724 2.109 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.065 -2.938 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.641 -1.848 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.077 -3.434 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.766 -2.301 3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.637 -0.783 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.121 -1.499 5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.278 -3.033 5.728 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.352 -0.932 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.056 -2.413 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.421 -1.993 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.543 -0.396 8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.440 -0.856 9.485 1.00 0.00 H new ATOM 597 N MET A 42 -3.280 -0.508 0.707 1.00 0.00 N ATOM 598 CA MET A 42 -2.715 0.735 0.194 1.00 0.00 C ATOM 599 C MET A 42 -3.102 1.914 1.081 1.00 0.00 C ATOM 600 O MET A 42 -3.969 1.794 1.946 1.00 0.00 O ATOM 601 CB MET A 42 -3.189 0.982 -1.239 1.00 0.00 C ATOM 602 CG MET A 42 -2.831 -0.140 -2.200 1.00 0.00 C ATOM 603 SD MET A 42 -3.430 0.161 -3.874 1.00 0.00 S ATOM 604 CE MET A 42 -1.952 0.810 -4.650 1.00 0.00 C ATOM 0 H MET A 42 -4.298 -0.556 0.669 1.00 0.00 H new ATOM 0 HA MET A 42 -1.629 0.641 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.271 1.116 -1.237 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.753 1.913 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.748 -0.262 -2.222 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.250 -1.076 -1.831 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.162 1.045 -5.693 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.636 1.715 -4.131 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.157 0.066 -4.599 1.00 0.00 H new ATOM 614 N ALA A 43 -2.453 3.053 0.860 1.00 0.00 N ATOM 615 CA ALA A 43 -2.731 4.254 1.637 1.00 0.00 C ATOM 616 C ALA A 43 -2.896 5.469 0.731 1.00 0.00 C ATOM 617 O ALA A 43 -2.277 5.552 -0.330 1.00 0.00 O ATOM 618 CB ALA A 43 -1.621 4.495 2.650 1.00 0.00 C ATOM 0 H ALA A 43 -1.731 3.169 0.149 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.669 4.102 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.841 5.395 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.553 3.642 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.673 4.621 2.128 1.00 0.00 H new ATOM 624 N ILE A 44 -3.736 6.407 1.155 1.00 0.00 N ATOM 625 CA ILE A 44 -3.982 7.618 0.381 1.00 0.00 C ATOM 626 C ILE A 44 -4.008 8.849 1.280 1.00 0.00 C ATOM 627 O ILE A 44 -4.653 8.852 2.328 1.00 0.00 O ATOM 628 CB ILE A 44 -5.312 7.532 -0.391 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.347 6.266 -1.250 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.504 8.770 -1.254 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.728 5.919 -1.758 1.00 0.00 C ATOM 0 H ILE A 44 -4.258 6.352 2.030 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.162 7.709 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.130 7.484 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.678 6.395 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.963 5.430 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.448 8.695 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.518 9.657 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.684 8.847 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.677 5.011 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.397 5.758 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.107 6.738 -2.369 1.00 0.00 H new ATOM 643 N MET A 45 -3.303 9.895 0.861 1.00 0.00 N ATOM 644 CA MET A 45 -3.247 11.135 1.627 1.00 0.00 C ATOM 645 C MET A 45 -4.339 12.101 1.178 1.00 0.00 C ATOM 646 O MET A 45 -4.279 12.654 0.080 1.00 0.00 O ATOM 647 CB MET A 45 -1.874 11.793 1.475 1.00 0.00 C ATOM 648 CG MET A 45 -0.823 11.230 2.418 1.00 0.00 C ATOM 649 SD MET A 45 -0.681 12.176 3.946 1.00 0.00 S ATOM 650 CE MET A 45 -1.896 11.349 4.970 1.00 0.00 C ATOM 0 H MET A 45 -2.763 9.909 -0.004 1.00 0.00 H new ATOM 0 HA MET A 45 -3.411 10.891 2.677 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.532 11.669 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.972 12.864 1.651 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.072 10.196 2.657 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.143 11.217 1.913 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.692 11.561 6.020 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.893 11.709 4.714 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.844 10.274 4.800 1.00 0.00 H new ATOM 660 N VAL A 46 -5.336 12.299 2.035 1.00 0.00 N ATOM 661 CA VAL A 46 -6.441 13.199 1.726 1.00 0.00 C ATOM 662 C VAL A 46 -6.613 14.252 2.815 1.00 0.00 C ATOM 663 O VAL A 46 -6.177 14.062 3.950 1.00 0.00 O ATOM 664 CB VAL A 46 -7.764 12.427 1.561 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.758 11.628 0.267 1.00 0.00 C ATOM 666 CG2 VAL A 46 -8.003 11.518 2.757 1.00 0.00 C ATOM 0 H VAL A 46 -5.401 11.849 2.948 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.195 13.690 0.785 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.581 13.147 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.700 11.089 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.636 12.305 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.933 10.916 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.942 10.980 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.184 10.803 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.054 12.118 3.666 1.00 0.00 H new ATOM 676 N GLN A 47 -7.251 15.363 2.460 1.00 0.00 N ATOM 677 CA GLN A 47 -7.480 16.447 3.408 1.00 0.00 C ATOM 678 C GLN A 47 -8.835 16.296 4.091 1.00 0.00 C ATOM 679 O GLN A 47 -9.880 16.418 3.452 1.00 0.00 O ATOM 680 CB GLN A 47 -7.402 17.799 2.697 1.00 0.00 C ATOM 681 CG GLN A 47 -6.921 18.930 3.591 1.00 0.00 C ATOM 682 CD GLN A 47 -7.884 19.229 4.723 1.00 0.00 C ATOM 683 OE1 GLN A 47 -7.915 18.520 5.730 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.676 20.282 4.565 1.00 0.00 N ATOM 0 H GLN A 47 -7.618 15.536 1.524 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.702 16.400 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.731 17.712 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.387 18.051 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.947 18.671 4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.782 19.829 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.617 20.842 3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.344 20.532 5.294 1.00 0.00 H new ATOM 693 N SER A 48 -8.810 16.030 5.393 1.00 0.00 N ATOM 694 CA SER A 48 -10.037 15.859 6.162 1.00 0.00 C ATOM 695 C SER A 48 -10.611 17.210 6.578 1.00 0.00 C ATOM 696 O SER A 48 -9.893 18.110 7.014 1.00 0.00 O ATOM 697 CB SER A 48 -9.771 15.001 7.401 1.00 0.00 C ATOM 698 OG SER A 48 -9.955 13.625 7.118 1.00 0.00 O ATOM 0 H SER A 48 -7.953 15.928 5.937 1.00 0.00 H new ATOM 0 HA SER A 48 -10.767 15.354 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.753 15.170 7.753 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.441 15.302 8.206 1.00 0.00 H new ATOM 0 HG SER A 48 -9.777 13.098 7.925 1.00 0.00 H new ATOM 774 N LYS A 54 -4.199 16.565 6.715 1.00 0.00 N ATOM 775 CA LYS A 54 -4.066 15.364 5.899 1.00 0.00 C ATOM 776 C LYS A 54 -3.995 14.117 6.774 1.00 0.00 C ATOM 777 O LYS A 54 -3.280 14.089 7.776 1.00 0.00 O ATOM 778 CB LYS A 54 -2.817 15.455 5.020 1.00 0.00 C ATOM 779 CG LYS A 54 -3.043 16.205 3.719 1.00 0.00 C ATOM 780 CD LYS A 54 -1.984 15.859 2.685 1.00 0.00 C ATOM 781 CE LYS A 54 -2.148 16.687 1.420 1.00 0.00 C ATOM 782 NZ LYS A 54 -3.083 16.046 0.454 1.00 0.00 N ATOM 0 HA LYS A 54 -4.947 15.289 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.023 15.948 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.468 14.448 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.030 15.963 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.030 17.278 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.993 16.029 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.048 14.799 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.519 17.678 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.175 16.824 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.168 16.641 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.717 15.110 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.018 15.938 0.896 1.00 0.00 H new ATOM 796 N VAL A 55 -4.740 13.085 6.389 1.00 0.00 N ATOM 797 CA VAL A 55 -4.759 11.834 7.137 1.00 0.00 C ATOM 798 C VAL A 55 -4.593 10.636 6.208 1.00 0.00 C ATOM 799 O VAL A 55 -5.154 10.586 5.113 1.00 0.00 O ATOM 800 CB VAL A 55 -6.068 11.676 7.933 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.190 12.768 8.984 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.266 11.691 6.995 1.00 0.00 C ATOM 0 H VAL A 55 -5.338 13.091 5.563 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.921 11.868 7.834 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.048 10.714 8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.121 12.639 9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.348 12.705 9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.188 13.743 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.183 11.578 7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.293 12.637 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.182 10.869 6.284 1.00 0.00 H new ATOM 812 N PRO A 56 -3.805 9.647 6.654 1.00 0.00 N ATOM 813 CA PRO A 56 -3.548 8.429 5.879 1.00 0.00 C ATOM 814 C PRO A 56 -4.779 7.536 5.778 1.00 0.00 C ATOM 815 O PRO A 56 -5.246 6.990 6.778 1.00 0.00 O ATOM 816 CB PRO A 56 -2.443 7.730 6.674 1.00 0.00 C ATOM 817 CG PRO A 56 -2.608 8.226 8.069 1.00 0.00 C ATOM 818 CD PRO A 56 -3.105 9.640 7.950 1.00 0.00 C ATOM 0 HA PRO A 56 -3.274 8.652 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.545 6.646 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.457 7.975 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.316 7.609 8.621 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.663 8.189 8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.774 9.901 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.284 10.357 7.968 1.00 0.00 H new ATOM 826 N HIS A 57 -5.300 7.389 4.564 1.00 0.00 N ATOM 827 CA HIS A 57 -6.478 6.560 4.332 1.00 0.00 C ATOM 828 C HIS A 57 -6.081 5.198 3.770 1.00 0.00 C ATOM 829 O HIS A 57 -5.581 5.101 2.649 1.00 0.00 O ATOM 830 CB HIS A 57 -7.440 7.260 3.372 1.00 0.00 C ATOM 831 CG HIS A 57 -8.342 8.250 4.044 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.406 8.852 3.406 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.335 8.740 5.305 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.013 9.671 4.246 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.383 9.621 5.406 1.00 0.00 N ATOM 0 H HIS A 57 -4.925 7.833 3.726 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.979 6.408 5.288 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.863 7.771 2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.049 6.509 2.869 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.635 8.485 6.087 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.878 10.278 4.022 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.634 10.151 6.241 1.00 0.00 H new ATOM 843 N TRP A 58 -6.305 4.151 4.556 1.00 0.00 N ATOM 844 CA TRP A 58 -5.970 2.795 4.136 1.00 0.00 C ATOM 845 C TRP A 58 -7.113 2.173 3.341 1.00 0.00 C ATOM 846 O TRP A 58 -8.272 2.231 3.753 1.00 0.00 O ATOM 847 CB TRP A 58 -5.648 1.928 5.354 1.00 0.00 C ATOM 848 CG TRP A 58 -4.546 2.483 6.204 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.682 3.149 7.389 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.142 2.424 5.934 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.446 3.506 7.872 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.485 3.072 6.998 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.375 1.884 4.898 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.099 3.195 7.053 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.000 2.006 4.954 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.373 2.657 6.025 1.00 0.00 C ATOM 0 H TRP A 58 -6.717 4.215 5.487 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.092 2.847 3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.546 1.820 5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.369 0.930 5.017 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.622 3.363 7.875 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.272 4.012 8.740 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.849 1.380 4.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.614 3.697 7.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.398 1.592 4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.704 2.736 6.039 1.00 0.00 H new ATOM 867 N TYR A 59 -6.780 1.579 2.201 1.00 0.00 N ATOM 868 CA TYR A 59 -7.779 0.948 1.347 1.00 0.00 C ATOM 869 C TYR A 59 -7.325 -0.442 0.912 1.00 0.00 C ATOM 870 O TYR A 59 -6.196 -0.624 0.457 1.00 0.00 O ATOM 871 CB TYR A 59 -8.051 1.816 0.117 1.00 0.00 C ATOM 872 CG TYR A 59 -8.875 3.049 0.416 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.251 2.964 0.586 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.276 4.298 0.528 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.008 4.088 0.858 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.025 5.426 0.801 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.390 5.316 0.965 1.00 0.00 C ATOM 878 OH TYR A 59 -11.140 6.438 1.238 1.00 0.00 O ATOM 0 H TYR A 59 -5.825 1.521 1.847 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.699 0.846 1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.100 2.122 -0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.568 1.217 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.738 2.003 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.207 4.388 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.077 4.005 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.544 6.389 0.886 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.553 7.221 1.282 1.00 0.00 H new ATOM 888 N HIS A 60 -8.214 -1.419 1.056 1.00 0.00 N ATOM 889 CA HIS A 60 -7.907 -2.794 0.677 1.00 0.00 C ATOM 890 C HIS A 60 -7.320 -2.851 -0.730 1.00 0.00 C ATOM 891 O HIS A 60 -7.523 -1.943 -1.536 1.00 0.00 O ATOM 892 CB HIS A 60 -9.165 -3.660 0.753 1.00 0.00 C ATOM 893 CG HIS A 60 -9.528 -4.068 2.147 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.546 -3.477 2.864 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.002 -5.017 2.957 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.630 -4.043 4.055 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.704 -4.981 4.136 1.00 0.00 N ATOM 0 H HIS A 60 -9.153 -1.285 1.432 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.166 -3.181 1.377 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.000 -3.113 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.017 -4.555 0.148 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.142 -2.720 2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.182 -5.679 2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.336 -3.783 4.830 1.00 0.00 H new ATOM 905 N PHE A 61 -6.590 -3.924 -1.018 1.00 0.00 N ATOM 906 CA PHE A 61 -5.972 -4.099 -2.327 1.00 0.00 C ATOM 907 C PHE A 61 -6.963 -3.782 -3.443 1.00 0.00 C ATOM 908 O PHE A 61 -6.593 -3.223 -4.476 1.00 0.00 O ATOM 909 CB PHE A 61 -5.452 -5.530 -2.482 1.00 0.00 C ATOM 910 CG PHE A 61 -4.619 -5.735 -3.715 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.499 -4.953 -3.948 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.956 -6.708 -4.641 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.729 -5.139 -5.081 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.190 -6.899 -5.776 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.076 -6.113 -5.996 1.00 0.00 C ATOM 0 H PHE A 61 -6.412 -4.685 -0.362 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.134 -3.406 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.859 -5.789 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.299 -6.215 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.224 -4.189 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.827 -7.325 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.858 -4.524 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.463 -7.662 -6.490 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.477 -6.260 -6.883 1.00 0.00 H new ATOM 925 N SER A 62 -8.223 -4.143 -3.228 1.00 0.00 N ATOM 926 CA SER A 62 -9.267 -3.902 -4.217 1.00 0.00 C ATOM 927 C SER A 62 -9.944 -2.556 -3.974 1.00 0.00 C ATOM 928 O SER A 62 -10.058 -1.733 -4.883 1.00 0.00 O ATOM 929 CB SER A 62 -10.307 -5.023 -4.176 1.00 0.00 C ATOM 930 OG SER A 62 -10.874 -5.146 -2.883 1.00 0.00 O ATOM 0 H SER A 62 -8.546 -4.604 -2.377 1.00 0.00 H new ATOM 0 HA SER A 62 -8.802 -3.884 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.093 -4.821 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.842 -5.966 -4.464 1.00 0.00 H new ATOM 0 HG SER A 62 -11.537 -5.868 -2.884 1.00 0.00 H new ATOM 936 N CYS A 63 -10.393 -2.340 -2.742 1.00 0.00 N ATOM 937 CA CYS A 63 -11.059 -1.096 -2.378 1.00 0.00 C ATOM 938 C CYS A 63 -10.335 0.105 -2.979 1.00 0.00 C ATOM 939 O CYS A 63 -10.959 0.992 -3.563 1.00 0.00 O ATOM 940 CB CYS A 63 -11.127 -0.956 -0.856 1.00 0.00 C ATOM 941 SG CYS A 63 -12.334 -2.063 -0.060 1.00 0.00 S ATOM 0 H CYS A 63 -10.307 -3.011 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.072 -1.125 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.139 -1.153 -0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.377 0.075 -0.608 1.00 0.00 H new ATOM 0 HG CYS A 63 -12.463 -1.736 1.191 1.00 0.00 H new ATOM 946 N PHE A 64 -9.015 0.128 -2.830 1.00 0.00 N ATOM 947 CA PHE A 64 -8.205 1.220 -3.357 1.00 0.00 C ATOM 948 C PHE A 64 -8.515 1.466 -4.831 1.00 0.00 C ATOM 949 O PHE A 64 -8.504 2.605 -5.297 1.00 0.00 O ATOM 950 CB PHE A 64 -6.716 0.910 -3.183 1.00 0.00 C ATOM 951 CG PHE A 64 -5.815 2.020 -3.642 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.574 2.221 -4.992 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.208 2.862 -2.724 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.744 3.242 -5.416 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.378 3.884 -3.143 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.146 4.075 -4.491 1.00 0.00 C ATOM 0 H PHE A 64 -8.483 -0.597 -2.349 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.449 2.122 -2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.517 0.702 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.474 0.004 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.039 1.573 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.386 2.718 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.563 3.388 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.911 4.533 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.498 4.874 -4.821 1.00 0.00 H new ATOM 966 N TRP A 65 -8.792 0.390 -5.558 1.00 0.00 N ATOM 967 CA TRP A 65 -9.105 0.488 -6.979 1.00 0.00 C ATOM 968 C TRP A 65 -10.583 0.799 -7.191 1.00 0.00 C ATOM 969 O TRP A 65 -10.952 1.494 -8.138 1.00 0.00 O ATOM 970 CB TRP A 65 -8.738 -0.814 -7.694 1.00 0.00 C ATOM 971 CG TRP A 65 -7.299 -1.198 -7.527 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.818 -2.349 -6.970 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.156 -0.430 -7.918 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.444 -2.342 -6.991 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.014 -1.177 -7.568 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.986 0.814 -8.531 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.722 -0.718 -7.811 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.703 1.268 -8.771 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.585 0.504 -8.412 1.00 0.00 C ATOM 0 H TRP A 65 -8.806 -0.560 -5.187 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.517 1.304 -7.399 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.368 -1.619 -7.314 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.958 -0.711 -8.757 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.428 -3.147 -6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.842 -3.084 -6.635 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.842 1.410 -8.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.859 -1.305 -7.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.560 2.229 -9.244 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.595 0.887 -8.613 1.00 0.00 H new ATOM 990 N LYS A 66 -11.425 0.282 -6.303 1.00 0.00 N ATOM 991 CA LYS A 66 -12.863 0.506 -6.391 1.00 0.00 C ATOM 992 C LYS A 66 -13.178 1.997 -6.467 1.00 0.00 C ATOM 993 O LYS A 66 -13.892 2.445 -7.364 1.00 0.00 O ATOM 994 CB LYS A 66 -13.571 -0.114 -5.185 1.00 0.00 C ATOM 995 CG LYS A 66 -13.834 -1.603 -5.333 1.00 0.00 C ATOM 996 CD LYS A 66 -14.964 -2.063 -4.428 1.00 0.00 C ATOM 997 CE LYS A 66 -14.778 -3.509 -3.994 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.670 -3.866 -2.856 1.00 0.00 N ATOM 0 H LYS A 66 -11.136 -0.296 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.224 0.029 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.966 0.053 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.519 0.400 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.083 -1.828 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.927 -2.159 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.011 -1.421 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.915 -1.958 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.982 -4.170 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.739 -3.671 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.513 -4.859 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.458 -3.252 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.662 -3.736 -3.139 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.639 2.760 -5.522 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.860 4.200 -5.484 1.00 0.00 C ATOM 1014 C VAL A 67 -12.559 4.839 -6.835 1.00 0.00 C ATOM 1015 O VAL A 67 -13.223 5.788 -7.247 1.00 0.00 O ATOM 1016 CB VAL A 67 -11.990 4.874 -4.405 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.424 4.430 -3.016 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.519 4.564 -4.638 1.00 0.00 C ATOM 0 H VAL A 67 -12.046 2.405 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.911 4.351 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.126 5.953 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.799 4.916 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.466 4.707 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.319 3.348 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.919 5.048 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.363 3.486 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.220 4.936 -5.618 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.551 4.309 -7.522 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.179 4.839 -8.821 1.00 0.00 C ATOM 1030 C GLY A 68 -9.846 5.560 -8.793 1.00 0.00 C ATOM 1031 O GLY A 68 -9.699 6.632 -9.382 1.00 0.00 O ATOM 0 H GLY A 68 -10.986 3.522 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.132 4.024 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.953 5.525 -9.165 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.872 4.973 -8.105 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.544 5.567 -8.002 1.00 0.00 C ATOM 1037 C HIS A 69 -6.551 4.839 -8.904 1.00 0.00 C ATOM 1038 O HIS A 69 -5.821 3.956 -8.454 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.057 5.529 -6.553 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.452 6.734 -5.756 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.132 8.022 -6.131 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.147 6.842 -4.600 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.611 8.870 -5.238 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.232 8.179 -4.299 1.00 0.00 N ATOM 0 H HIS A 69 -8.977 4.087 -7.611 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.611 6.605 -8.329 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.454 4.637 -6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.971 5.439 -6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.558 6.028 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.512 9.945 -5.270 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.699 8.574 -3.483 1.00 0.00 H new ATOM 1052 N SER A 70 -6.531 5.216 -10.178 1.00 0.00 N ATOM 1053 CA SER A 70 -5.631 4.596 -11.144 1.00 0.00 C ATOM 1054 C SER A 70 -4.193 5.052 -10.917 1.00 0.00 C ATOM 1055 O SER A 70 -3.949 6.165 -10.452 1.00 0.00 O ATOM 1056 CB SER A 70 -6.067 4.938 -12.570 1.00 0.00 C ATOM 1057 OG SER A 70 -5.678 3.923 -13.479 1.00 0.00 O ATOM 0 H SER A 70 -7.127 5.947 -10.566 1.00 0.00 H new ATOM 0 HA SER A 70 -5.677 3.516 -11.006 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.149 5.064 -12.602 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.626 5.888 -12.871 1.00 0.00 H new ATOM 0 HG SER A 70 -5.970 4.164 -14.383 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.245 4.182 -11.248 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.831 4.494 -11.081 1.00 0.00 C ATOM 1065 C ILE A 71 -1.014 3.996 -12.269 1.00 0.00 C ATOM 1066 O ILE A 71 -1.023 2.807 -12.587 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.266 3.875 -9.789 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.013 4.418 -8.569 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.224 4.157 -9.674 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -2.004 3.475 -7.386 1.00 0.00 C ATOM 0 H ILE A 71 -3.430 3.256 -11.633 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.753 5.579 -11.018 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.409 2.795 -9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.565 5.366 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.046 4.627 -8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.609 3.713 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.743 3.726 -10.530 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.390 5.234 -9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.552 3.925 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.479 2.535 -7.667 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.975 3.285 -7.080 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.308 4.914 -12.921 1.00 0.00 N ATOM 1083 CA ARG A 72 0.515 4.568 -14.073 1.00 0.00 C ATOM 1084 C ARG A 72 1.785 3.843 -13.637 1.00 0.00 C ATOM 1085 O ARG A 72 1.988 2.673 -13.964 1.00 0.00 O ATOM 1086 CB ARG A 72 0.880 5.827 -14.862 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.278 6.403 -15.659 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.380 5.764 -17.035 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.136 6.594 -17.969 1.00 0.00 N ATOM 1090 CZ ARG A 72 -1.761 6.114 -19.039 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -1.720 4.817 -19.308 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -2.429 6.933 -19.842 1.00 0.00 N ATOM 0 H ARG A 72 -0.290 5.903 -12.671 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.062 3.900 -14.712 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.247 6.585 -14.170 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.699 5.594 -15.543 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.209 6.247 -15.114 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.148 7.480 -15.766 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.621 5.593 -17.430 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.859 4.789 -16.947 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.187 7.597 -17.790 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.208 4.185 -18.693 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.201 4.451 -20.130 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.463 7.932 -19.638 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.908 6.564 -20.663 1.00 0.00 H new ATOM 1106 N HIS A 73 2.637 4.545 -12.897 1.00 0.00 N ATOM 1107 CA HIS A 73 3.887 3.968 -12.415 1.00 0.00 C ATOM 1108 C HIS A 73 3.900 3.894 -10.891 1.00 0.00 C ATOM 1109 O HIS A 73 4.439 4.765 -10.208 1.00 0.00 O ATOM 1110 CB HIS A 73 5.077 4.792 -12.908 1.00 0.00 C ATOM 1111 CG HIS A 73 5.190 4.847 -14.400 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.753 3.836 -15.150 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.808 5.800 -15.282 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.713 4.165 -16.429 1.00 0.00 C ATOM 1115 NE2 HIS A 73 5.144 5.352 -16.536 1.00 0.00 N ATOM 0 H HIS A 73 2.485 5.514 -12.618 1.00 0.00 H new ATOM 0 HA HIS A 73 3.967 2.955 -12.810 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.991 5.807 -12.521 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.995 4.371 -12.498 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.328 6.738 -15.044 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.083 3.565 -17.248 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.981 5.855 -17.408 1.00 0.00 H new ATOM 1123 N PRO A 74 3.292 2.831 -10.345 1.00 0.00 N ATOM 1124 CA PRO A 74 3.220 2.619 -8.896 1.00 0.00 C ATOM 1125 C PRO A 74 4.577 2.275 -8.292 1.00 0.00 C ATOM 1126 O PRO A 74 4.713 2.156 -7.074 1.00 0.00 O ATOM 1127 CB PRO A 74 2.259 1.435 -8.758 1.00 0.00 C ATOM 1128 CG PRO A 74 2.368 0.705 -10.052 1.00 0.00 C ATOM 1129 CD PRO A 74 2.628 1.754 -11.098 1.00 0.00 C ATOM 0 HA PRO A 74 2.893 3.516 -8.369 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.536 0.797 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.238 1.773 -8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.177 -0.025 -10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.452 0.156 -10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.262 1.374 -11.899 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.703 2.098 -11.560 1.00 0.00 H new ATOM 1137 N ASP A 75 5.579 2.119 -9.150 1.00 0.00 N ATOM 1138 CA ASP A 75 6.927 1.791 -8.701 1.00 0.00 C ATOM 1139 C ASP A 75 7.581 2.992 -8.025 1.00 0.00 C ATOM 1140 O ASP A 75 8.365 2.839 -7.088 1.00 0.00 O ATOM 1141 CB ASP A 75 7.781 1.326 -9.881 1.00 0.00 C ATOM 1142 CG ASP A 75 9.266 1.492 -9.621 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.780 0.845 -8.685 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.913 2.270 -10.354 1.00 0.00 O ATOM 0 H ASP A 75 5.483 2.214 -10.161 1.00 0.00 H new ATOM 0 HA ASP A 75 6.855 0.982 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.567 0.278 -10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.505 1.892 -10.771 1.00 0.00 H new ATOM 1149 N VAL A 76 7.254 4.187 -8.506 1.00 0.00 N ATOM 1150 CA VAL A 76 7.810 5.414 -7.949 1.00 0.00 C ATOM 1151 C VAL A 76 6.724 6.261 -7.295 1.00 0.00 C ATOM 1152 O VAL A 76 6.941 6.860 -6.242 1.00 0.00 O ATOM 1153 CB VAL A 76 8.518 6.251 -9.030 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.716 5.498 -9.590 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.545 6.622 -10.139 1.00 0.00 C ATOM 0 H VAL A 76 6.606 4.331 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 76 8.539 5.118 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 76 8.880 7.172 -8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.204 6.105 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.422 5.289 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.382 4.560 -10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.063 7.213 -10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.151 5.714 -10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.723 7.205 -9.722 1.00 0.00 H new ATOM 1165 N GLU A 77 5.556 6.307 -7.927 1.00 0.00 N ATOM 1166 CA GLU A 77 4.436 7.082 -7.406 1.00 0.00 C ATOM 1167 C GLU A 77 3.964 6.524 -6.067 1.00 0.00 C ATOM 1168 O GLU A 77 3.707 7.273 -5.125 1.00 0.00 O ATOM 1169 CB GLU A 77 3.278 7.083 -8.407 1.00 0.00 C ATOM 1170 CG GLU A 77 3.614 7.759 -9.725 1.00 0.00 C ATOM 1171 CD GLU A 77 2.379 8.135 -10.520 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.428 7.326 -10.557 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.363 9.238 -11.105 1.00 0.00 O ATOM 0 H GLU A 77 5.360 5.817 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 77 4.776 8.106 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.977 6.054 -8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.421 7.586 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.202 8.656 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.237 7.093 -10.322 1.00 0.00 H new ATOM 1180 N VAL A 78 3.852 5.201 -5.990 1.00 0.00 N ATOM 1181 CA VAL A 78 3.412 4.541 -4.767 1.00 0.00 C ATOM 1182 C VAL A 78 4.601 4.047 -3.950 1.00 0.00 C ATOM 1183 O VAL A 78 5.416 3.262 -4.435 1.00 0.00 O ATOM 1184 CB VAL A 78 2.483 3.351 -5.074 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.037 2.676 -3.786 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.284 3.809 -5.890 1.00 0.00 C ATOM 0 H VAL A 78 4.060 4.566 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 78 2.861 5.282 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 78 3.037 2.621 -5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.382 1.838 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.910 2.312 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.499 3.394 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.638 2.956 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.726 4.558 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.627 4.242 -6.830 1.00 0.00 H new ATOM 1196 N ASP A 79 4.693 4.511 -2.709 1.00 0.00 N ATOM 1197 CA ASP A 79 5.782 4.114 -1.824 1.00 0.00 C ATOM 1198 C ASP A 79 5.661 2.643 -1.438 1.00 0.00 C ATOM 1199 O ASP A 79 4.613 2.026 -1.625 1.00 0.00 O ATOM 1200 CB ASP A 79 5.788 4.985 -0.566 1.00 0.00 C ATOM 1201 CG ASP A 79 7.061 4.826 0.241 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.121 5.296 -0.223 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.997 4.234 1.338 1.00 0.00 O ATOM 0 H ASP A 79 4.027 5.162 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 79 6.721 4.254 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.670 6.030 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.932 4.725 0.056 1.00 0.00 H new ATOM 1208 N GLY A 80 6.742 2.087 -0.899 1.00 0.00 N ATOM 1209 CA GLY A 80 6.736 0.692 -0.497 1.00 0.00 C ATOM 1210 C GLY A 80 6.958 -0.249 -1.665 1.00 0.00 C ATOM 1211 O GLY A 80 7.653 -1.256 -1.536 1.00 0.00 O ATOM 0 H GLY A 80 7.621 2.577 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.513 0.529 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.783 0.458 -0.022 1.00 0.00 H new ATOM 1215 N PHE A 81 6.364 0.079 -2.808 1.00 0.00 N ATOM 1216 CA PHE A 81 6.498 -0.746 -4.002 1.00 0.00 C ATOM 1217 C PHE A 81 7.886 -1.375 -4.076 1.00 0.00 C ATOM 1218 O PHE A 81 8.024 -2.597 -4.121 1.00 0.00 O ATOM 1219 CB PHE A 81 6.237 0.090 -5.257 1.00 0.00 C ATOM 1220 CG PHE A 81 6.074 -0.733 -6.503 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.182 -1.237 -7.166 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.814 -1.004 -7.011 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.037 -1.995 -8.312 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.662 -1.762 -8.157 1.00 0.00 C ATOM 1225 CZ PHE A 81 5.775 -2.257 -8.809 1.00 0.00 C ATOM 0 H PHE A 81 5.786 0.910 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 81 5.759 -1.545 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.338 0.687 -5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.063 0.787 -5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.171 -1.035 -6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.941 -0.619 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.909 -2.382 -8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.674 -1.967 -8.542 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.659 -2.848 -9.706 1.00 0.00 H new ATOM 1235 N SER A 82 8.912 -0.530 -4.090 1.00 0.00 N ATOM 1236 CA SER A 82 10.290 -1.002 -4.163 1.00 0.00 C ATOM 1237 C SER A 82 10.591 -1.978 -3.030 1.00 0.00 C ATOM 1238 O SER A 82 11.291 -2.971 -3.222 1.00 0.00 O ATOM 1239 CB SER A 82 11.259 0.180 -4.105 1.00 0.00 C ATOM 1240 OG SER A 82 12.588 -0.260 -3.882 1.00 0.00 O ATOM 0 H SER A 82 8.815 0.485 -4.052 1.00 0.00 H new ATOM 0 HA SER A 82 10.420 -1.523 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.210 0.740 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.960 0.861 -3.308 1.00 0.00 H new ATOM 0 HG SER A 82 13.188 0.514 -3.851 1.00 0.00 H new ATOM 1246 N GLU A 83 10.056 -1.686 -1.849 1.00 0.00 N ATOM 1247 CA GLU A 83 10.268 -2.537 -0.684 1.00 0.00 C ATOM 1248 C GLU A 83 9.642 -3.913 -0.894 1.00 0.00 C ATOM 1249 O GLU A 83 10.233 -4.937 -0.549 1.00 0.00 O ATOM 1250 CB GLU A 83 9.679 -1.883 0.568 1.00 0.00 C ATOM 1251 CG GLU A 83 10.397 -0.610 0.984 1.00 0.00 C ATOM 1252 CD GLU A 83 9.903 -0.069 2.312 1.00 0.00 C ATOM 1253 OE1 GLU A 83 10.343 -0.581 3.362 1.00 0.00 O ATOM 1254 OE2 GLU A 83 9.076 0.867 2.300 1.00 0.00 O ATOM 0 H GLU A 83 9.473 -0.868 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 83 11.342 -2.662 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.628 -1.656 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.715 -2.596 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.467 -0.806 1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.260 0.148 0.213 1.00 0.00 H new ATOM 1261 N LEU A 84 8.441 -3.929 -1.462 1.00 0.00 N ATOM 1262 CA LEU A 84 7.733 -5.179 -1.719 1.00 0.00 C ATOM 1263 C LEU A 84 8.605 -6.146 -2.512 1.00 0.00 C ATOM 1264 O LEU A 84 9.568 -5.739 -3.163 1.00 0.00 O ATOM 1265 CB LEU A 84 6.434 -4.905 -2.479 1.00 0.00 C ATOM 1266 CG LEU A 84 5.391 -4.061 -1.745 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.260 -3.673 -2.685 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.849 -4.815 -0.539 1.00 0.00 C ATOM 0 H LEU A 84 7.937 -3.091 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 84 7.496 -5.637 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.683 -4.405 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.980 -5.861 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 84 5.872 -3.149 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.528 -3.073 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.661 -3.094 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.780 -4.574 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.108 -4.200 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.384 -5.744 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.666 -5.042 0.146 1.00 0.00 H new ATOM 1280 N ARG A 85 8.261 -7.428 -2.454 1.00 0.00 N ATOM 1281 CA ARG A 85 9.012 -8.454 -3.168 1.00 0.00 C ATOM 1282 C ARG A 85 8.712 -8.406 -4.663 1.00 0.00 C ATOM 1283 O ARG A 85 7.777 -7.733 -5.097 1.00 0.00 O ATOM 1284 CB ARG A 85 8.677 -9.840 -2.614 1.00 0.00 C ATOM 1285 CG ARG A 85 9.386 -10.161 -1.308 1.00 0.00 C ATOM 1286 CD ARG A 85 10.750 -10.786 -1.553 1.00 0.00 C ATOM 1287 NE ARG A 85 11.328 -11.336 -0.330 1.00 0.00 N ATOM 1288 CZ ARG A 85 10.908 -12.459 0.242 1.00 0.00 C ATOM 1289 NH1 ARG A 85 9.912 -13.148 -0.297 1.00 0.00 N ATOM 1290 NH2 ARG A 85 11.485 -12.895 1.354 1.00 0.00 N ATOM 0 H ARG A 85 7.467 -7.781 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 85 10.074 -8.259 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.600 -9.910 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.942 -10.593 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.502 -9.249 -0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.773 -10.843 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.658 -11.577 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.424 -10.035 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 85 12.097 -10.830 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.467 -12.816 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.591 -14.010 0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.252 -12.368 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.161 -13.757 1.792 1.00 0.00 H new ATOM 1304 N TRP A 86 9.510 -9.124 -5.445 1.00 0.00 N ATOM 1305 CA TRP A 86 9.330 -9.163 -6.892 1.00 0.00 C ATOM 1306 C TRP A 86 7.894 -9.528 -7.252 1.00 0.00 C ATOM 1307 O TRP A 86 7.226 -8.803 -7.989 1.00 0.00 O ATOM 1308 CB TRP A 86 10.297 -10.168 -7.520 1.00 0.00 C ATOM 1309 CG TRP A 86 10.193 -10.239 -9.013 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.818 -9.429 -9.918 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.416 -11.169 -9.775 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.476 -9.800 -11.196 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.618 -10.865 -11.135 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.570 -12.231 -9.440 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.004 -11.585 -12.158 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.962 -12.943 -10.456 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.181 -12.618 -11.801 1.00 0.00 C ATOM 0 H TRP A 86 10.288 -9.687 -5.102 1.00 0.00 H new ATOM 0 HA TRP A 86 9.543 -8.169 -7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.317 -9.899 -7.246 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.105 -11.156 -7.102 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.483 -8.616 -9.666 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.808 -9.354 -12.051 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.395 -12.490 -8.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.172 -11.336 -13.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.306 -13.765 -10.209 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.690 -13.194 -12.571 1.00 0.00 H new ATOM 1328 N ASP A 87 7.425 -10.654 -6.727 1.00 0.00 N ATOM 1329 CA ASP A 87 6.066 -11.114 -6.992 1.00 0.00 C ATOM 1330 C ASP A 87 5.066 -9.973 -6.832 1.00 0.00 C ATOM 1331 O ASP A 87 4.395 -9.584 -7.788 1.00 0.00 O ATOM 1332 CB ASP A 87 5.702 -12.264 -6.053 1.00 0.00 C ATOM 1333 CG ASP A 87 4.263 -12.712 -6.217 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.355 -11.881 -6.005 1.00 0.00 O ATOM 1335 OD2 ASP A 87 4.044 -13.893 -6.559 1.00 0.00 O ATOM 0 H ASP A 87 7.965 -11.266 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 87 6.023 -11.469 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.366 -13.108 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.867 -11.953 -5.021 1.00 0.00 H new ATOM 1340 N ASP A 88 4.970 -9.443 -5.618 1.00 0.00 N ATOM 1341 CA ASP A 88 4.051 -8.348 -5.332 1.00 0.00 C ATOM 1342 C ASP A 88 4.201 -7.231 -6.360 1.00 0.00 C ATOM 1343 O ASP A 88 3.227 -6.819 -6.989 1.00 0.00 O ATOM 1344 CB ASP A 88 4.299 -7.800 -3.926 1.00 0.00 C ATOM 1345 CG ASP A 88 4.275 -8.886 -2.869 1.00 0.00 C ATOM 1346 OD1 ASP A 88 5.267 -9.638 -2.768 1.00 0.00 O ATOM 1347 OD2 ASP A 88 3.264 -8.985 -2.142 1.00 0.00 O ATOM 0 H ASP A 88 5.518 -9.754 -4.816 1.00 0.00 H new ATOM 0 HA ASP A 88 3.034 -8.736 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.264 -7.294 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.541 -7.052 -3.692 1.00 0.00 H new ATOM 1352 N GLN A 89 5.427 -6.745 -6.524 1.00 0.00 N ATOM 1353 CA GLN A 89 5.703 -5.674 -7.475 1.00 0.00 C ATOM 1354 C GLN A 89 4.989 -5.924 -8.799 1.00 0.00 C ATOM 1355 O GLN A 89 4.292 -5.050 -9.313 1.00 0.00 O ATOM 1356 CB GLN A 89 7.210 -5.548 -7.710 1.00 0.00 C ATOM 1357 CG GLN A 89 7.938 -4.804 -6.602 1.00 0.00 C ATOM 1358 CD GLN A 89 9.393 -4.538 -6.936 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.772 -4.479 -8.106 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.216 -4.376 -5.908 1.00 0.00 N ATOM 0 H GLN A 89 6.245 -7.075 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 89 5.329 -4.742 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.639 -6.545 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.380 -5.033 -8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.433 -3.856 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.881 -5.384 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.858 -4.433 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.206 -4.194 -6.071 1.00 0.00 H new ATOM 1369 N GLN A 90 5.169 -7.123 -9.345 1.00 0.00 N ATOM 1370 CA GLN A 90 4.542 -7.487 -10.611 1.00 0.00 C ATOM 1371 C GLN A 90 3.022 -7.485 -10.486 1.00 0.00 C ATOM 1372 O GLN A 90 2.317 -6.991 -11.366 1.00 0.00 O ATOM 1373 CB GLN A 90 5.027 -8.864 -11.066 1.00 0.00 C ATOM 1374 CG GLN A 90 6.527 -8.935 -11.300 1.00 0.00 C ATOM 1375 CD GLN A 90 7.048 -7.762 -12.107 1.00 0.00 C ATOM 1376 OE1 GLN A 90 7.820 -6.943 -11.606 1.00 0.00 O ATOM 1377 NE2 GLN A 90 6.629 -7.675 -13.363 1.00 0.00 N ATOM 0 H GLN A 90 5.743 -7.858 -8.931 1.00 0.00 H new ATOM 0 HA GLN A 90 4.827 -6.745 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.750 -9.604 -10.315 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.511 -9.136 -11.987 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.040 -8.966 -10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.766 -9.863 -11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.989 -8.376 -13.737 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.947 -6.907 -13.955 1.00 0.00 H new ATOM 1386 N LYS A 91 2.524 -8.041 -9.387 1.00 0.00 N ATOM 1387 CA LYS A 91 1.087 -8.103 -9.145 1.00 0.00 C ATOM 1388 C LYS A 91 0.464 -6.712 -9.206 1.00 0.00 C ATOM 1389 O LYS A 91 -0.435 -6.458 -10.008 1.00 0.00 O ATOM 1390 CB LYS A 91 0.806 -8.740 -7.782 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.663 -8.723 -7.394 1.00 0.00 C ATOM 1392 CD LYS A 91 -0.845 -8.888 -5.895 1.00 0.00 C ATOM 1393 CE LYS A 91 -2.209 -9.472 -5.560 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.538 -9.322 -4.115 1.00 0.00 N ATOM 0 H LYS A 91 3.094 -8.455 -8.650 1.00 0.00 H new ATOM 0 HA LYS A 91 0.638 -8.717 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.158 -9.771 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.381 -8.215 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.114 -7.784 -7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.187 -9.524 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.063 -9.538 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.732 -7.921 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.973 -8.977 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.228 -10.528 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.959 -10.205 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.670 -9.115 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.215 -8.542 -3.992 1.00 0.00 H new ATOM 1408 N VAL A 92 0.948 -5.814 -8.354 1.00 0.00 N ATOM 1409 CA VAL A 92 0.441 -4.447 -8.313 1.00 0.00 C ATOM 1410 C VAL A 92 0.417 -3.828 -9.706 1.00 0.00 C ATOM 1411 O VAL A 92 -0.520 -3.115 -10.066 1.00 0.00 O ATOM 1412 CB VAL A 92 1.290 -3.561 -7.383 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.785 -2.126 -7.406 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.282 -4.115 -5.967 1.00 0.00 C ATOM 0 H VAL A 92 1.691 -6.008 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.576 -4.498 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 92 2.318 -3.565 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.397 -1.514 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.847 -1.735 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.252 -2.100 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.887 -3.477 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.259 -4.142 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.695 -5.124 -5.969 1.00 0.00 H new ATOM 1424 N LYS A 93 1.455 -4.105 -10.488 1.00 0.00 N ATOM 1425 CA LYS A 93 1.555 -3.578 -11.844 1.00 0.00 C ATOM 1426 C LYS A 93 0.385 -4.053 -12.700 1.00 0.00 C ATOM 1427 O LYS A 93 -0.316 -3.248 -13.313 1.00 0.00 O ATOM 1428 CB LYS A 93 2.877 -4.006 -12.485 1.00 0.00 C ATOM 1429 CG LYS A 93 4.027 -3.055 -12.201 1.00 0.00 C ATOM 1430 CD LYS A 93 5.123 -3.179 -13.247 1.00 0.00 C ATOM 1431 CE LYS A 93 6.490 -2.859 -12.661 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.157 -4.074 -12.115 1.00 0.00 N ATOM 0 H LYS A 93 2.240 -4.692 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 93 1.523 -2.490 -11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.141 -5.000 -12.124 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.740 -4.085 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.656 -2.030 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.439 -3.265 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.127 -4.191 -13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.914 -2.504 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.120 -2.414 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.381 -2.117 -11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.086 -3.815 -11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.568 -4.485 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.284 -4.772 -12.876 1.00 0.00 H new ATOM 1446 N LYS A 94 0.179 -5.365 -12.737 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.907 -5.948 -13.515 1.00 0.00 C ATOM 1448 C LYS A 94 -2.238 -5.288 -13.171 1.00 0.00 C ATOM 1449 O LYS A 94 -3.045 -4.995 -14.054 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.992 -7.455 -13.261 1.00 0.00 C ATOM 1451 CG LYS A 94 0.229 -8.222 -13.738 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.094 -9.686 -13.984 1.00 0.00 C ATOM 1453 CE LYS A 94 0.035 -10.508 -12.710 1.00 0.00 C ATOM 1454 NZ LYS A 94 0.141 -11.965 -12.998 1.00 0.00 N ATOM 0 H LYS A 94 0.751 -6.045 -12.236 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.698 -5.775 -14.571 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.125 -7.628 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.877 -7.850 -13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.606 -7.772 -14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.023 -8.143 -12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.108 -9.775 -14.375 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.577 -10.085 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.915 -10.183 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.829 -10.326 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.227 -12.490 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.710 -12.282 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.980 -12.142 -13.586 1.00 0.00 H new ATOM 1468 N THR A 95 -2.462 -5.054 -11.881 1.00 0.00 N ATOM 1469 CA THR A 95 -3.695 -4.428 -11.421 1.00 0.00 C ATOM 1470 C THR A 95 -3.761 -2.966 -11.846 1.00 0.00 C ATOM 1471 O THR A 95 -4.689 -2.553 -12.540 1.00 0.00 O ATOM 1472 CB THR A 95 -3.830 -4.513 -9.889 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.605 -5.857 -9.451 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.209 -4.052 -9.441 1.00 0.00 C ATOM 0 H THR A 95 -1.805 -5.289 -11.137 1.00 0.00 H new ATOM 0 HA THR A 95 -4.518 -4.974 -11.882 1.00 0.00 H new ATOM 0 HB THR A 95 -3.082 -3.857 -9.444 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.494 -5.870 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.281 -4.121 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.365 -3.019 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.970 -4.686 -9.896 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.770 -2.187 -11.424 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.715 -0.770 -11.763 1.00 0.00 C ATOM 1484 C ALA A 96 -3.115 -0.538 -13.216 1.00 0.00 C ATOM 1485 O ALA A 96 -3.921 0.343 -13.514 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.320 -0.220 -11.504 1.00 0.00 C ATOM 0 H ALA A 96 -1.995 -2.513 -10.847 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.426 -0.241 -11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.293 0.839 -11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.070 -0.344 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.597 -0.760 -12.115 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.546 -1.333 -14.117 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.844 -1.211 -15.539 1.00 0.00 C ATOM 1494 C GLU A 97 -4.335 -1.399 -15.801 1.00 0.00 C ATOM 1495 O GLU A 97 -4.952 -0.618 -16.525 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.041 -2.238 -16.340 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.549 -1.952 -16.377 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.243 -0.484 -16.607 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -0.485 0.002 -17.732 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.239 0.177 -15.664 1.00 0.00 O ATOM 0 H GLU A 97 -1.877 -2.068 -13.887 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.561 -0.208 -15.859 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.202 -3.227 -15.911 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.422 -2.268 -17.361 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.098 -2.271 -15.437 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.089 -2.544 -17.168 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.908 -2.441 -15.207 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.327 -2.731 -15.374 1.00 0.00 C ATOM 1509 C ALA A 98 -7.185 -1.557 -14.912 1.00 0.00 C ATOM 1510 O ALA A 98 -8.155 -1.188 -15.572 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.701 -3.993 -14.611 1.00 0.00 C ATOM 0 H ALA A 98 -4.411 -3.098 -14.606 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.518 -2.891 -16.435 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.763 -4.198 -14.745 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.119 -4.833 -14.990 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.489 -3.854 -13.551 1.00 0.00 H new