USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 19:sc= 0.997 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.443 K(o=0.55,f=-2.8!) USER MOD Single : A 24 SER OG : rot 68:sc= 0.609 USER MOD Single : A 28 SER OG : rot 72:sc= 1.03 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.4) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1 (180deg=0.967) USER MOD Single : A 68 THR OG1 : rot -33:sc= 0.00353 USER MOD Single : A 73 GLN : amide:sc= 1.26 K(o=1.3,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.987 7.438 -7.413 1.00 0.00 N ATOM 171 CA GLU A 13 25.256 7.469 -6.673 1.00 0.00 C ATOM 172 C GLU A 13 26.145 8.629 -7.144 1.00 0.00 C ATOM 173 O GLU A 13 26.484 9.501 -6.346 1.00 0.00 O ATOM 174 CB GLU A 13 25.957 6.105 -6.787 1.00 0.00 C ATOM 175 CG GLU A 13 27.213 5.949 -5.920 1.00 0.00 C ATOM 176 CD GLU A 13 26.864 5.681 -4.443 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.488 6.629 -3.713 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.964 4.509 -4.000 1.00 0.00 O ATOM 0 HA GLU A 13 25.052 7.651 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 25.247 5.324 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 13 26.230 5.939 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.819 5.129 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.818 6.853 -5.992 1.00 0.00 H new ATOM 185 N ARG A 14 26.472 8.701 -8.447 1.00 0.00 N ATOM 186 CA ARG A 14 27.357 9.761 -8.969 1.00 0.00 C ATOM 187 C ARG A 14 26.792 11.156 -8.697 1.00 0.00 C ATOM 188 O ARG A 14 27.545 12.012 -8.238 1.00 0.00 O ATOM 189 CB ARG A 14 27.748 9.567 -10.447 1.00 0.00 C ATOM 190 CG ARG A 14 26.592 9.476 -11.461 1.00 0.00 C ATOM 191 CD ARG A 14 26.843 10.284 -12.740 1.00 0.00 C ATOM 192 NE ARG A 14 26.469 11.696 -12.551 1.00 0.00 N ATOM 193 CZ ARG A 14 25.397 12.320 -12.996 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.439 11.751 -13.667 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.230 13.564 -12.723 1.00 0.00 N ATOM 0 H ARG A 14 26.141 8.044 -9.154 1.00 0.00 H new ATOM 0 HA ARG A 14 28.289 9.672 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.393 10.395 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 14 28.342 8.657 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.431 8.431 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.675 9.830 -10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.895 10.216 -13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.268 9.858 -13.563 1.00 0.00 H new ATOM 0 HE ARG A 14 27.121 12.262 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.488 10.755 -13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.638 12.301 -13.979 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.924 14.061 -12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.403 14.054 -13.064 1.00 0.00 H new ATOM 209 N VAL A 15 25.470 11.327 -8.843 1.00 0.00 N ATOM 210 CA VAL A 15 24.731 12.561 -8.516 1.00 0.00 C ATOM 211 C VAL A 15 24.928 12.994 -7.061 1.00 0.00 C ATOM 212 O VAL A 15 24.950 14.191 -6.771 1.00 0.00 O ATOM 213 CB VAL A 15 23.230 12.374 -8.837 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.308 13.385 -8.172 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.990 12.454 -10.344 1.00 0.00 C ATOM 0 H VAL A 15 24.865 10.589 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 15 25.136 13.362 -9.135 1.00 0.00 H new ATOM 0 HB VAL A 15 22.986 11.390 -8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.276 13.177 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.410 13.313 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.577 14.391 -8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.928 12.320 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 15 23.312 13.428 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.559 11.671 -10.845 1.00 0.00 H new ATOM 225 N ASP A 16 25.117 12.051 -6.140 1.00 0.00 N ATOM 226 CA ASP A 16 25.379 12.377 -4.737 1.00 0.00 C ATOM 227 C ASP A 16 26.828 12.837 -4.480 1.00 0.00 C ATOM 228 O ASP A 16 27.058 13.726 -3.662 1.00 0.00 O ATOM 229 CB ASP A 16 24.991 11.187 -3.855 1.00 0.00 C ATOM 230 CG ASP A 16 24.699 11.649 -2.423 1.00 0.00 C ATOM 231 OD1 ASP A 16 23.734 12.433 -2.248 1.00 0.00 O ATOM 232 OD2 ASP A 16 25.400 11.201 -1.482 1.00 0.00 O ATOM 0 H ASP A 16 25.094 11.051 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 16 24.759 13.234 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.113 10.692 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 16 25.797 10.454 -3.849 1.00 0.00 H new ATOM 237 N LEU A 17 27.814 12.302 -5.210 1.00 0.00 N ATOM 238 CA LEU A 17 29.234 12.640 -5.021 1.00 0.00 C ATOM 239 C LEU A 17 29.551 14.033 -5.573 1.00 0.00 C ATOM 240 O LEU A 17 30.254 14.815 -4.935 1.00 0.00 O ATOM 241 CB LEU A 17 30.135 11.564 -5.647 1.00 0.00 C ATOM 242 CG LEU A 17 30.369 10.369 -4.700 1.00 0.00 C ATOM 243 CD1 LEU A 17 29.256 9.326 -4.752 1.00 0.00 C ATOM 244 CD2 LEU A 17 31.681 9.693 -5.071 1.00 0.00 C ATOM 0 H LEU A 17 27.651 11.620 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 17 29.439 12.664 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.682 11.208 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.095 12.007 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 17 30.390 10.770 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.486 8.514 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.311 9.788 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.176 8.930 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.855 8.847 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.630 9.341 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.499 10.407 -4.971 1.00 0.00 H new ATOM 256 N GLU A 18 28.959 14.390 -6.710 1.00 0.00 N ATOM 257 CA GLU A 18 29.022 15.759 -7.239 1.00 0.00 C ATOM 258 C GLU A 18 28.308 16.780 -6.335 1.00 0.00 C ATOM 259 O GLU A 18 28.749 17.924 -6.248 1.00 0.00 O ATOM 260 CB GLU A 18 28.539 15.793 -8.693 1.00 0.00 C ATOM 261 CG GLU A 18 27.146 15.202 -8.900 1.00 0.00 C ATOM 262 CD GLU A 18 26.966 14.791 -10.374 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.360 13.674 -10.781 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.399 15.572 -11.163 1.00 0.00 O ATOM 0 H GLU A 18 28.423 13.746 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 18 30.066 16.072 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.539 16.826 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.250 15.247 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.009 14.336 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.386 15.932 -8.621 1.00 0.00 H new ATOM 271 N ALA A 19 27.298 16.376 -5.555 1.00 0.00 N ATOM 272 CA ALA A 19 26.717 17.233 -4.518 1.00 0.00 C ATOM 273 C ALA A 19 27.712 17.523 -3.371 1.00 0.00 C ATOM 274 O ALA A 19 27.789 18.654 -2.892 1.00 0.00 O ATOM 275 CB ALA A 19 25.411 16.592 -4.040 1.00 0.00 C ATOM 0 H ALA A 19 26.865 15.455 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 19 26.492 18.215 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 19 24.962 17.215 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.721 16.502 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.619 15.602 -3.633 1.00 0.00 H new ATOM 281 N VAL A 20 28.548 16.545 -2.991 1.00 0.00 N ATOM 282 CA VAL A 20 29.652 16.717 -2.016 1.00 0.00 C ATOM 283 C VAL A 20 30.791 17.560 -2.605 1.00 0.00 C ATOM 284 O VAL A 20 31.354 18.418 -1.918 1.00 0.00 O ATOM 285 CB VAL A 20 30.154 15.348 -1.504 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.348 15.476 -0.549 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.049 14.603 -0.743 1.00 0.00 C ATOM 0 H VAL A 20 28.480 15.594 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 20 29.262 17.264 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 20 30.456 14.800 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.659 14.484 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.175 15.964 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.059 16.071 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.431 13.643 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.731 15.199 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.200 14.437 -1.405 1.00 0.00 H new ATOM 297 N ARG A 21 31.081 17.414 -3.904 1.00 0.00 N ATOM 298 CA ARG A 21 32.024 18.291 -4.617 1.00 0.00 C ATOM 299 C ARG A 21 31.562 19.746 -4.591 1.00 0.00 C ATOM 300 O ARG A 21 32.350 20.605 -4.223 1.00 0.00 O ATOM 301 CB ARG A 21 32.250 17.749 -6.042 1.00 0.00 C ATOM 302 CG ARG A 21 33.337 18.485 -6.845 1.00 0.00 C ATOM 303 CD ARG A 21 34.701 18.603 -6.146 1.00 0.00 C ATOM 304 NE ARG A 21 35.244 17.286 -5.748 1.00 0.00 N ATOM 305 CZ ARG A 21 36.306 17.066 -4.990 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.030 18.039 -4.512 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.663 15.850 -4.694 1.00 0.00 N ATOM 0 H ARG A 21 30.671 16.687 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 21 32.987 18.284 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.517 16.694 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.310 17.806 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.477 17.968 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 21 32.978 19.488 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.407 19.098 -6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.601 19.234 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 21 34.749 16.463 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.784 19.007 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 21 37.842 17.832 -3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.123 15.060 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.483 15.687 -4.109 1.00 0.00 H new ATOM 321 N LEU A 22 30.285 20.039 -4.844 1.00 0.00 N ATOM 322 CA LEU A 22 29.737 21.396 -4.728 1.00 0.00 C ATOM 323 C LEU A 22 29.642 21.864 -3.283 1.00 0.00 C ATOM 324 O LEU A 22 29.928 23.027 -3.055 1.00 0.00 O ATOM 325 CB LEU A 22 28.428 21.567 -5.506 1.00 0.00 C ATOM 326 CG LEU A 22 28.705 21.918 -6.981 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.137 20.729 -7.833 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.450 22.516 -7.587 1.00 0.00 C ATOM 0 H LEU A 22 29.599 19.343 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 22 30.454 22.063 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.845 20.648 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.828 22.353 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 22 29.537 22.622 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.312 21.060 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.055 20.305 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.353 19.972 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.635 22.768 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.637 21.793 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.175 23.417 -7.039 1.00 0.00 H new ATOM 340 N ALA A 23 29.380 21.013 -2.292 1.00 0.00 N ATOM 341 CA ALA A 23 29.522 21.431 -0.892 1.00 0.00 C ATOM 342 C ALA A 23 30.964 21.908 -0.605 1.00 0.00 C ATOM 343 O ALA A 23 31.168 22.889 0.108 1.00 0.00 O ATOM 344 CB ALA A 23 29.089 20.277 0.010 1.00 0.00 C ATOM 0 H ALA A 23 29.074 20.049 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 23 28.877 22.285 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.189 20.574 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.049 20.024 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 23 29.719 19.409 -0.183 1.00 0.00 H new ATOM 350 N SER A 24 31.956 21.292 -1.262 1.00 0.00 N ATOM 351 CA SER A 24 33.358 21.736 -1.243 1.00 0.00 C ATOM 352 C SER A 24 33.598 23.028 -2.050 1.00 0.00 C ATOM 353 O SER A 24 34.344 23.895 -1.580 1.00 0.00 O ATOM 354 CB SER A 24 34.300 20.611 -1.705 1.00 0.00 C ATOM 355 OG SER A 24 34.011 19.376 -1.058 1.00 0.00 O ATOM 0 H SER A 24 31.806 20.459 -1.830 1.00 0.00 H new ATOM 0 HA SER A 24 33.588 21.978 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.212 20.485 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.332 20.895 -1.500 1.00 0.00 H new ATOM 0 HG SER A 24 33.143 19.041 -1.365 1.00 0.00 H new ATOM 361 N ILE A 25 32.962 23.237 -3.223 1.00 0.00 N ATOM 362 CA ILE A 25 33.175 24.501 -3.957 1.00 0.00 C ATOM 363 C ILE A 25 32.444 25.669 -3.266 1.00 0.00 C ATOM 364 O ILE A 25 32.967 26.779 -3.197 1.00 0.00 O ATOM 365 CB ILE A 25 32.827 24.424 -5.456 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.096 23.084 -6.166 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.634 25.513 -6.181 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.482 22.452 -6.017 1.00 0.00 C ATOM 0 H ILE A 25 32.323 22.577 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 25 34.248 24.689 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 25 31.746 24.554 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.361 22.364 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.908 23.227 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.409 25.484 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.367 26.491 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.699 25.337 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.516 21.515 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.237 23.134 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.681 22.257 -4.963 1.00 0.00 H new ATOM 380 N VAL A 26 31.273 25.417 -2.675 1.00 0.00 N ATOM 381 CA VAL A 26 30.531 26.373 -1.841 1.00 0.00 C ATOM 382 C VAL A 26 31.352 26.737 -0.606 1.00 0.00 C ATOM 383 O VAL A 26 31.547 27.923 -0.389 1.00 0.00 O ATOM 384 CB VAL A 26 29.160 25.808 -1.434 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.412 26.726 -0.463 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.242 25.615 -2.653 1.00 0.00 C ATOM 0 H VAL A 26 30.800 24.518 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 26 30.356 27.275 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 26 29.380 24.854 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.451 26.280 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.003 26.856 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.249 27.696 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.282 25.214 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.086 26.574 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.707 24.919 -3.352 1.00 0.00 H new ATOM 396 N ASP A 27 31.927 25.790 0.142 1.00 0.00 N ATOM 397 CA ASP A 27 32.864 26.112 1.233 1.00 0.00 C ATOM 398 C ASP A 27 34.026 27.003 0.757 1.00 0.00 C ATOM 399 O ASP A 27 34.354 28.005 1.396 1.00 0.00 O ATOM 400 CB ASP A 27 33.423 24.822 1.844 1.00 0.00 C ATOM 401 CG ASP A 27 34.561 25.120 2.834 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.311 25.787 3.866 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.704 24.674 2.574 1.00 0.00 O ATOM 0 H ASP A 27 31.762 24.791 0.015 1.00 0.00 H new ATOM 0 HA ASP A 27 32.305 26.668 1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.625 24.284 2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.790 24.170 1.051 1.00 0.00 H new ATOM 408 N SER A 28 34.586 26.706 -0.421 1.00 0.00 N ATOM 409 CA SER A 28 35.631 27.534 -1.042 1.00 0.00 C ATOM 410 C SER A 28 35.145 28.972 -1.320 1.00 0.00 C ATOM 411 O SER A 28 35.914 29.921 -1.159 1.00 0.00 O ATOM 412 CB SER A 28 36.158 26.878 -2.328 1.00 0.00 C ATOM 413 OG SER A 28 36.575 25.538 -2.100 1.00 0.00 O ATOM 0 H SER A 28 34.329 25.887 -0.972 1.00 0.00 H new ATOM 0 HA SER A 28 36.451 27.604 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.379 26.892 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 28 36.995 27.459 -2.717 1.00 0.00 H new ATOM 0 HG SER A 28 35.789 24.972 -1.951 1.00 0.00 H new ATOM 419 N ARG A 29 33.855 29.162 -1.640 1.00 0.00 N ATOM 420 CA ARG A 29 33.195 30.479 -1.760 1.00 0.00 C ATOM 421 C ARG A 29 32.867 31.117 -0.409 1.00 0.00 C ATOM 422 O ARG A 29 33.040 32.327 -0.268 1.00 0.00 O ATOM 423 CB ARG A 29 31.927 30.322 -2.622 1.00 0.00 C ATOM 424 CG ARG A 29 31.325 31.643 -3.122 1.00 0.00 C ATOM 425 CD ARG A 29 32.244 32.395 -4.089 1.00 0.00 C ATOM 426 NE ARG A 29 31.511 33.455 -4.815 1.00 0.00 N ATOM 427 CZ ARG A 29 31.985 34.197 -5.801 1.00 0.00 C ATOM 428 NH1 ARG A 29 33.219 34.099 -6.210 1.00 0.00 N ATOM 429 NH2 ARG A 29 31.224 35.063 -6.397 1.00 0.00 N ATOM 0 H ARG A 29 33.222 28.385 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 29 33.895 31.162 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.164 29.697 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.173 29.791 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.376 31.438 -3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.107 32.282 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.073 32.837 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.675 31.694 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 29 30.548 33.630 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.852 33.434 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.551 34.688 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 29 30.253 35.175 -6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 29 31.597 35.632 -7.157 1.00 0.00 H new ATOM 443 N LEU A 30 32.462 30.348 0.604 1.00 0.00 N ATOM 444 CA LEU A 30 32.214 30.878 1.954 1.00 0.00 C ATOM 445 C LEU A 30 33.504 31.408 2.617 1.00 0.00 C ATOM 446 O LEU A 30 33.461 32.396 3.350 1.00 0.00 O ATOM 447 CB LEU A 30 31.504 29.839 2.842 1.00 0.00 C ATOM 448 CG LEU A 30 30.125 29.368 2.342 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.501 28.343 3.298 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.127 30.520 2.174 1.00 0.00 C ATOM 0 H LEU A 30 32.296 29.345 0.517 1.00 0.00 H new ATOM 0 HA LEU A 30 31.544 31.731 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.152 28.968 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.384 30.261 3.840 1.00 0.00 H new ATOM 0 HG LEU A 30 30.314 28.916 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.529 28.032 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.154 27.474 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.375 28.793 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.174 30.127 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.981 31.017 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.516 31.236 1.450 1.00 0.00 H new ATOM 462 N ILE A 31 34.653 30.811 2.292 1.00 0.00 N ATOM 463 CA ILE A 31 35.996 31.305 2.646 1.00 0.00 C ATOM 464 C ILE A 31 36.413 32.491 1.744 1.00 0.00 C ATOM 465 O ILE A 31 37.046 33.440 2.212 1.00 0.00 O ATOM 466 CB ILE A 31 36.996 30.121 2.563 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.640 29.044 3.617 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.452 30.586 2.762 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.349 27.700 3.403 1.00 0.00 C ATOM 0 H ILE A 31 34.681 29.942 1.758 1.00 0.00 H new ATOM 0 HA ILE A 31 35.993 31.691 3.666 1.00 0.00 H new ATOM 0 HB ILE A 31 36.915 29.694 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.893 29.422 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.562 28.880 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.120 29.727 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.712 31.308 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.554 31.052 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.046 27.001 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.077 27.296 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.428 27.847 3.447 1.00 0.00 H new ATOM 481 N GLY A 32 36.043 32.460 0.457 1.00 0.00 N ATOM 482 CA GLY A 32 36.479 33.392 -0.591 1.00 0.00 C ATOM 483 C GLY A 32 35.822 34.769 -0.562 1.00 0.00 C ATOM 484 O GLY A 32 36.474 35.785 -0.807 1.00 0.00 O ATOM 0 H GLY A 32 35.401 31.751 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.558 33.522 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.284 32.936 -1.562 1.00 0.00 H new ATOM 488 N THR A 33 34.521 34.793 -0.267 1.00 0.00 N ATOM 489 CA THR A 33 33.708 36.028 -0.188 1.00 0.00 C ATOM 490 C THR A 33 32.518 35.953 0.787 1.00 0.00 C ATOM 491 O THR A 33 32.076 36.978 1.312 1.00 0.00 O ATOM 492 CB THR A 33 33.230 36.408 -1.601 1.00 0.00 C ATOM 493 OG1 THR A 33 32.690 37.710 -1.635 1.00 0.00 O ATOM 494 CG2 THR A 33 32.182 35.438 -2.138 1.00 0.00 C ATOM 0 H THR A 33 33.986 33.947 -0.072 1.00 0.00 H new ATOM 0 HA THR A 33 34.357 36.801 0.223 1.00 0.00 H new ATOM 0 HB THR A 33 34.116 36.360 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.398 37.919 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.877 35.749 -3.137 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.605 34.434 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.315 35.437 -1.478 1.00 0.00 H new ATOM 502 N GLY A 34 32.024 34.742 1.079 1.00 0.00 N ATOM 503 CA GLY A 34 31.044 34.507 2.147 1.00 0.00 C ATOM 504 C GLY A 34 29.590 34.362 1.737 1.00 0.00 C ATOM 505 O GLY A 34 28.714 34.231 2.592 1.00 0.00 O ATOM 0 H GLY A 34 32.294 33.895 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.336 33.602 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.114 35.331 2.857 1.00 0.00 H new ATOM 509 N SER A 35 29.295 34.332 0.442 1.00 0.00 N ATOM 510 CA SER A 35 27.977 33.992 -0.127 1.00 0.00 C ATOM 511 C SER A 35 28.126 33.543 -1.588 1.00 0.00 C ATOM 512 O SER A 35 29.052 33.971 -2.280 1.00 0.00 O ATOM 513 CB SER A 35 27.019 35.191 -0.060 1.00 0.00 C ATOM 514 OG SER A 35 26.611 35.422 1.277 1.00 0.00 O ATOM 0 H SER A 35 29.987 34.551 -0.275 1.00 0.00 H new ATOM 0 HA SER A 35 27.561 33.177 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.510 36.080 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.147 35.003 -0.686 1.00 0.00 H new ATOM 0 HG SER A 35 27.241 34.989 1.891 1.00 0.00 H new ATOM 520 N VAL A 36 27.240 32.660 -2.053 1.00 0.00 N ATOM 521 CA VAL A 36 27.314 32.024 -3.384 1.00 0.00 C ATOM 522 C VAL A 36 26.324 32.624 -4.391 1.00 0.00 C ATOM 523 O VAL A 36 25.214 33.023 -4.040 1.00 0.00 O ATOM 524 CB VAL A 36 27.210 30.494 -3.237 1.00 0.00 C ATOM 525 CG1 VAL A 36 25.781 29.993 -3.021 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.810 29.781 -4.445 1.00 0.00 C ATOM 0 H VAL A 36 26.432 32.356 -1.509 1.00 0.00 H new ATOM 0 HA VAL A 36 28.289 32.243 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 36 27.780 30.255 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.787 28.907 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 36 25.374 30.435 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.162 30.280 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.722 28.703 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.276 30.080 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.862 30.050 -4.541 1.00 0.00 H new ATOM 536 N ASP A 37 26.752 32.683 -5.655 1.00 0.00 N ATOM 537 CA ASP A 37 25.979 33.177 -6.796 1.00 0.00 C ATOM 538 C ASP A 37 25.739 32.060 -7.814 1.00 0.00 C ATOM 539 O ASP A 37 26.567 31.160 -7.960 1.00 0.00 O ATOM 540 CB ASP A 37 26.704 34.362 -7.460 1.00 0.00 C ATOM 541 CG ASP A 37 27.303 35.359 -6.452 1.00 0.00 C ATOM 542 OD1 ASP A 37 26.597 36.320 -6.062 1.00 0.00 O ATOM 543 OD2 ASP A 37 28.489 35.195 -6.073 1.00 0.00 O ATOM 0 H ASP A 37 27.687 32.374 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 37 25.011 33.519 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.501 33.979 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 37 26.004 34.889 -8.108 1.00 0.00 H new ATOM 548 N GLU A 38 24.657 32.130 -8.595 1.00 0.00 N ATOM 549 CA GLU A 38 24.392 31.162 -9.673 1.00 0.00 C ATOM 550 C GLU A 38 25.541 31.110 -10.691 1.00 0.00 C ATOM 551 O GLU A 38 25.921 30.045 -11.174 1.00 0.00 O ATOM 552 CB GLU A 38 23.095 31.589 -10.381 1.00 0.00 C ATOM 553 CG GLU A 38 22.430 30.424 -11.113 1.00 0.00 C ATOM 554 CD GLU A 38 21.376 30.884 -12.142 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.656 31.887 -11.906 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.274 30.243 -13.218 1.00 0.00 O ATOM 0 H GLU A 38 23.943 32.852 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 38 24.298 30.166 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.401 32.000 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.316 32.385 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.195 29.837 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.956 29.767 -10.384 1.00 0.00 H new ATOM 563 N ASP A 39 26.147 32.272 -10.941 1.00 0.00 N ATOM 564 CA ASP A 39 27.281 32.447 -11.848 1.00 0.00 C ATOM 565 C ASP A 39 28.579 31.831 -11.302 1.00 0.00 C ATOM 566 O ASP A 39 29.479 31.536 -12.087 1.00 0.00 O ATOM 567 CB ASP A 39 27.437 33.948 -12.127 1.00 0.00 C ATOM 568 CG ASP A 39 28.490 34.241 -13.208 1.00 0.00 C ATOM 569 OD1 ASP A 39 28.282 33.818 -14.370 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.500 34.924 -12.908 1.00 0.00 O ATOM 0 H ASP A 39 25.852 33.145 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 39 27.081 31.912 -12.776 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.477 34.358 -12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.716 34.458 -11.205 1.00 0.00 H new ATOM 575 N PHE A 40 28.673 31.575 -9.987 1.00 0.00 N ATOM 576 CA PHE A 40 29.773 30.799 -9.419 1.00 0.00 C ATOM 577 C PHE A 40 29.525 29.281 -9.516 1.00 0.00 C ATOM 578 O PHE A 40 30.476 28.523 -9.699 1.00 0.00 O ATOM 579 CB PHE A 40 30.004 31.257 -7.976 1.00 0.00 C ATOM 580 CG PHE A 40 31.170 30.558 -7.316 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.487 30.992 -7.555 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.938 29.439 -6.497 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.568 30.325 -6.953 1.00 0.00 C ATOM 584 CE2 PHE A 40 32.016 28.779 -5.892 1.00 0.00 C ATOM 585 CZ PHE A 40 33.332 29.227 -6.109 1.00 0.00 C ATOM 0 H PHE A 40 27.993 31.899 -9.299 1.00 0.00 H new ATOM 0 HA PHE A 40 30.677 30.982 -10.000 1.00 0.00 H new ATOM 0 HB2 PHE A 40 30.179 32.333 -7.965 1.00 0.00 H new ATOM 0 HB3 PHE A 40 29.101 31.075 -7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.667 31.838 -8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.930 29.088 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.579 30.656 -7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.836 27.924 -5.257 1.00 0.00 H new ATOM 0 HZ PHE A 40 34.160 28.727 -5.627 1.00 0.00 H new ATOM 595 N LEU A 41 28.263 28.832 -9.424 1.00 0.00 N ATOM 596 CA LEU A 41 27.862 27.412 -9.349 1.00 0.00 C ATOM 597 C LEU A 41 27.688 26.740 -10.716 1.00 0.00 C ATOM 598 O LEU A 41 28.054 25.575 -10.873 1.00 0.00 O ATOM 599 CB LEU A 41 26.564 27.324 -8.525 1.00 0.00 C ATOM 600 CG LEU A 41 26.808 27.530 -7.026 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.492 27.897 -6.353 1.00 0.00 C ATOM 602 CD2 LEU A 41 27.352 26.264 -6.360 1.00 0.00 C ATOM 0 H LEU A 41 27.465 29.466 -9.399 1.00 0.00 H new ATOM 0 HA LEU A 41 28.671 26.862 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.859 28.075 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.101 26.350 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 41 27.545 28.325 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.658 28.045 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 41 25.103 28.816 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 41 24.771 27.092 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.512 26.451 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.635 25.452 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.298 25.986 -6.825 1.00 0.00 H new ATOM 614 N ARG A 42 27.211 27.464 -11.736 1.00 0.00 N ATOM 615 CA ARG A 42 27.066 26.937 -13.114 1.00 0.00 C ATOM 616 C ARG A 42 28.394 26.482 -13.743 1.00 0.00 C ATOM 617 O ARG A 42 28.407 25.672 -14.664 1.00 0.00 O ATOM 618 CB ARG A 42 26.382 28.005 -13.990 1.00 0.00 C ATOM 619 CG ARG A 42 27.264 29.237 -14.258 1.00 0.00 C ATOM 620 CD ARG A 42 26.552 30.274 -15.134 1.00 0.00 C ATOM 621 NE ARG A 42 27.478 31.358 -15.518 1.00 0.00 N ATOM 622 CZ ARG A 42 28.344 31.387 -16.512 1.00 0.00 C ATOM 623 NH1 ARG A 42 28.470 30.425 -17.385 1.00 0.00 N ATOM 624 NH2 ARG A 42 29.112 32.428 -16.618 1.00 0.00 N ATOM 0 H ARG A 42 26.912 28.434 -11.637 1.00 0.00 H new ATOM 0 HA ARG A 42 26.449 26.040 -13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.100 27.556 -14.942 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.461 28.326 -13.504 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.545 29.695 -13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.187 28.923 -14.746 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.158 29.792 -16.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.701 30.690 -14.595 1.00 0.00 H new ATOM 0 HE ARG A 42 27.443 32.196 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.880 29.595 -17.318 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.158 30.503 -18.134 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.034 33.190 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.794 32.484 -17.375 1.00 0.00 H new ATOM 638 N GLU A 43 29.514 26.977 -13.209 1.00 0.00 N ATOM 639 CA GLU A 43 30.883 26.599 -13.603 1.00 0.00 C ATOM 640 C GLU A 43 31.403 25.334 -12.891 1.00 0.00 C ATOM 641 O GLU A 43 32.510 24.881 -13.180 1.00 0.00 O ATOM 642 CB GLU A 43 31.848 27.773 -13.356 1.00 0.00 C ATOM 643 CG GLU A 43 31.341 29.097 -13.936 1.00 0.00 C ATOM 644 CD GLU A 43 32.486 30.114 -14.110 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.136 30.498 -13.107 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.756 30.532 -15.265 1.00 0.00 O ATOM 0 H GLU A 43 29.497 27.675 -12.466 1.00 0.00 H new ATOM 0 HA GLU A 43 30.841 26.362 -14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.004 27.889 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.817 27.538 -13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.866 28.915 -14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.579 29.515 -13.279 1.00 0.00 H new ATOM 653 N GLN A 44 30.627 24.756 -11.964 1.00 0.00 N ATOM 654 CA GLN A 44 31.044 23.647 -11.085 1.00 0.00 C ATOM 655 C GLN A 44 30.279 22.348 -11.349 1.00 0.00 C ATOM 656 O GLN A 44 30.802 21.270 -11.073 1.00 0.00 O ATOM 657 CB GLN A 44 30.864 24.029 -9.605 1.00 0.00 C ATOM 658 CG GLN A 44 31.315 25.449 -9.261 1.00 0.00 C ATOM 659 CD GLN A 44 32.748 25.798 -9.668 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.625 24.960 -9.841 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.041 27.072 -9.783 1.00 0.00 N ATOM 0 H GLN A 44 29.665 25.053 -11.798 1.00 0.00 H new ATOM 0 HA GLN A 44 32.096 23.470 -11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.812 23.920 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.423 23.324 -8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.637 26.154 -9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.215 25.593 -8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.317 27.777 -9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.992 27.358 -10.015 1.00 0.00 H new ATOM 670 N ILE A 45 29.045 22.446 -11.870 1.00 0.00 N ATOM 671 CA ILE A 45 28.173 21.292 -12.145 1.00 0.00 C ATOM 672 C ILE A 45 28.859 20.218 -12.993 1.00 0.00 C ATOM 673 O ILE A 45 28.960 19.070 -12.563 1.00 0.00 O ATOM 674 CB ILE A 45 26.844 21.700 -12.829 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.898 22.937 -13.755 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.785 21.932 -11.755 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.716 23.028 -14.730 1.00 0.00 C ATOM 0 H ILE A 45 28.620 23.340 -12.115 1.00 0.00 H new ATOM 0 HA ILE A 45 27.951 20.873 -11.164 1.00 0.00 H new ATOM 0 HB ILE A 45 26.604 20.867 -13.490 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.923 23.838 -13.142 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.827 22.913 -14.325 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.845 22.220 -12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.639 21.015 -11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.114 22.727 -11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.821 23.920 -15.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.702 22.145 -15.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.784 23.084 -14.168 1.00 0.00 H new ATOM 735 N ARG A 49 22.311 18.701 -14.062 1.00 0.00 N ATOM 736 CA ARG A 49 21.442 19.630 -14.806 1.00 0.00 C ATOM 737 C ARG A 49 21.226 20.932 -14.024 1.00 0.00 C ATOM 738 O ARG A 49 21.420 22.019 -14.570 1.00 0.00 O ATOM 739 CB ARG A 49 20.123 18.922 -15.183 1.00 0.00 C ATOM 740 CG ARG A 49 19.468 19.496 -16.450 1.00 0.00 C ATOM 741 CD ARG A 49 20.198 19.071 -17.732 1.00 0.00 C ATOM 742 NE ARG A 49 19.535 19.613 -18.935 1.00 0.00 N ATOM 743 CZ ARG A 49 19.940 19.475 -20.187 1.00 0.00 C ATOM 744 NH1 ARG A 49 21.013 18.802 -20.497 1.00 0.00 N ATOM 745 NH2 ARG A 49 19.267 20.016 -21.162 1.00 0.00 N ATOM 0 HA ARG A 49 21.931 19.920 -15.736 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.318 17.860 -15.332 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.423 19.004 -14.351 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.430 19.166 -16.500 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.454 20.584 -16.387 1.00 0.00 H new ATOM 0 HD2 ARG A 49 21.231 19.418 -17.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.229 17.983 -17.791 1.00 0.00 H new ATOM 0 HE ARG A 49 18.679 20.147 -18.786 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.569 18.362 -19.764 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.297 18.716 -21.473 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.421 20.551 -20.963 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.586 19.905 -22.125 1.00 0.00 H new ATOM 759 N TYR A 50 20.882 20.811 -12.739 1.00 0.00 N ATOM 760 CA TYR A 50 20.534 21.921 -11.849 1.00 0.00 C ATOM 761 C TYR A 50 21.251 21.786 -10.497 1.00 0.00 C ATOM 762 O TYR A 50 21.189 20.714 -9.893 1.00 0.00 O ATOM 763 CB TYR A 50 19.002 21.906 -11.617 1.00 0.00 C ATOM 764 CG TYR A 50 18.118 21.478 -12.782 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.224 22.125 -14.027 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.145 20.474 -12.603 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.355 21.787 -15.082 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.290 20.112 -13.662 1.00 0.00 C ATOM 769 CZ TYR A 50 16.385 20.776 -14.901 1.00 0.00 C ATOM 770 OH TYR A 50 15.539 20.444 -15.913 1.00 0.00 O ATOM 0 H TYR A 50 20.837 19.905 -12.273 1.00 0.00 H new ATOM 0 HA TYR A 50 20.845 22.858 -12.311 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.796 21.243 -10.777 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.698 22.908 -11.314 1.00 0.00 H new ATOM 0 HD1 TYR A 50 18.977 22.886 -14.174 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.055 19.979 -11.647 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.430 22.300 -16.029 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.562 19.326 -13.524 1.00 0.00 H new ATOM 0 HH TYR A 50 14.938 19.729 -15.616 1.00 0.00 H new ATOM 780 N ALA A 51 21.930 22.824 -9.987 1.00 0.00 N ATOM 781 CA ALA A 51 22.422 22.826 -8.597 1.00 0.00 C ATOM 782 C ALA A 51 21.563 23.792 -7.753 1.00 0.00 C ATOM 783 O ALA A 51 21.256 24.894 -8.205 1.00 0.00 O ATOM 784 CB ALA A 51 23.903 23.211 -8.564 1.00 0.00 C ATOM 0 H ALA A 51 22.151 23.670 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 51 22.334 21.827 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.256 23.209 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.479 22.492 -9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.030 24.206 -8.989 1.00 0.00 H new ATOM 790 N VAL A 52 21.171 23.389 -6.544 1.00 0.00 N ATOM 791 CA VAL A 52 20.307 24.165 -5.629 1.00 0.00 C ATOM 792 C VAL A 52 20.965 24.312 -4.256 1.00 0.00 C ATOM 793 O VAL A 52 21.617 23.390 -3.770 1.00 0.00 O ATOM 794 CB VAL A 52 18.894 23.546 -5.551 1.00 0.00 C ATOM 795 CG1 VAL A 52 17.983 24.267 -4.549 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.215 23.593 -6.926 1.00 0.00 C ATOM 0 H VAL A 52 21.450 22.488 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 52 20.186 25.172 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 52 19.033 22.518 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.004 23.788 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.424 24.215 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.873 25.311 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.220 23.153 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.132 24.629 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.810 23.030 -7.645 1.00 0.00 H new ATOM 806 N ILE A 53 20.811 25.461 -3.594 1.00 0.00 N ATOM 807 CA ILE A 53 21.545 25.854 -2.372 1.00 0.00 C ATOM 808 C ILE A 53 20.628 26.129 -1.171 1.00 0.00 C ATOM 809 O ILE A 53 19.688 26.901 -1.307 1.00 0.00 O ATOM 810 CB ILE A 53 22.297 27.159 -2.740 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.480 26.901 -3.686 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.745 28.018 -1.544 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.605 26.086 -3.053 1.00 0.00 C ATOM 0 H ILE A 53 20.149 26.175 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 53 22.202 25.039 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 53 21.544 27.750 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.118 26.378 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.881 27.857 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.261 28.907 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.872 28.317 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 53 23.420 27.439 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.405 25.944 -3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.994 26.617 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.220 25.115 -2.742 1.00 0.00 H new ATOM 825 N ARG A 54 20.959 25.602 0.020 1.00 0.00 N ATOM 826 CA ARG A 54 20.182 25.826 1.268 1.00 0.00 C ATOM 827 C ARG A 54 20.889 26.636 2.378 1.00 0.00 C ATOM 828 O ARG A 54 20.325 26.766 3.462 1.00 0.00 O ATOM 829 CB ARG A 54 19.661 24.466 1.786 1.00 0.00 C ATOM 830 CG ARG A 54 18.802 23.661 0.791 1.00 0.00 C ATOM 831 CD ARG A 54 17.552 24.387 0.265 1.00 0.00 C ATOM 832 NE ARG A 54 16.624 24.765 1.351 1.00 0.00 N ATOM 833 CZ ARG A 54 15.411 25.271 1.216 1.00 0.00 C ATOM 834 NH1 ARG A 54 14.878 25.490 0.047 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.700 25.570 2.265 1.00 0.00 N ATOM 0 H ARG A 54 21.775 25.005 0.153 1.00 0.00 H new ATOM 0 HA ARG A 54 19.354 26.478 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.516 23.856 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.073 24.641 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.425 23.383 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.488 22.735 1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.856 25.282 -0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.033 23.744 -0.446 1.00 0.00 H new ATOM 0 HE ARG A 54 16.955 24.620 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.400 25.269 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.939 25.882 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.079 25.414 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.764 25.960 2.153 1.00 0.00 H new ATOM 849 N ILE A 55 22.110 27.146 2.139 1.00 0.00 N ATOM 850 CA ILE A 55 22.985 27.816 3.142 1.00 0.00 C ATOM 851 C ILE A 55 22.212 28.746 4.117 1.00 0.00 C ATOM 852 O ILE A 55 21.562 29.691 3.659 1.00 0.00 O ATOM 853 CB ILE A 55 24.100 28.653 2.456 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.999 27.853 1.485 1.00 0.00 C ATOM 855 CG2 ILE A 55 25.009 29.304 3.519 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.522 28.713 0.338 1.00 0.00 C ATOM 0 H ILE A 55 22.538 27.106 1.214 1.00 0.00 H new ATOM 0 HA ILE A 55 23.420 27.000 3.719 1.00 0.00 H new ATOM 0 HB ILE A 55 23.567 29.398 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.841 27.434 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.434 27.014 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.786 29.888 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.413 29.958 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.471 28.527 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.148 28.106 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.682 29.111 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.111 29.537 0.740 1.00 0.00 H new ATOM 868 N PRO A 56 22.329 28.555 5.450 1.00 0.00 N ATOM 869 CA PRO A 56 21.742 29.459 6.444 1.00 0.00 C ATOM 870 C PRO A 56 22.275 30.900 6.362 1.00 0.00 C ATOM 871 O PRO A 56 23.466 31.134 6.154 1.00 0.00 O ATOM 872 CB PRO A 56 22.040 28.833 7.813 1.00 0.00 C ATOM 873 CG PRO A 56 22.191 27.348 7.494 1.00 0.00 C ATOM 874 CD PRO A 56 22.857 27.374 6.121 1.00 0.00 C ATOM 0 HA PRO A 56 20.672 29.559 6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.948 29.244 8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.232 29.012 8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.805 26.834 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.228 26.838 7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.942 27.428 6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.629 26.469 5.558 1.00 0.00 H new ATOM 882 N GLY A 57 21.383 31.875 6.549 1.00 0.00 N ATOM 883 CA GLY A 57 21.705 33.309 6.600 1.00 0.00 C ATOM 884 C GLY A 57 21.850 34.002 5.238 1.00 0.00 C ATOM 885 O GLY A 57 22.061 35.217 5.196 1.00 0.00 O ATOM 0 H GLY A 57 20.388 31.687 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.926 33.819 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.636 33.435 7.153 1.00 0.00 H new ATOM 889 N GLN A 58 21.705 33.264 4.132 1.00 0.00 N ATOM 890 CA GLN A 58 21.649 33.798 2.763 1.00 0.00 C ATOM 891 C GLN A 58 20.457 33.209 1.980 1.00 0.00 C ATOM 892 O GLN A 58 19.915 32.175 2.388 1.00 0.00 O ATOM 893 CB GLN A 58 23.026 33.591 2.105 1.00 0.00 C ATOM 894 CG GLN A 58 23.341 32.191 1.570 1.00 0.00 C ATOM 895 CD GLN A 58 24.827 32.112 1.215 1.00 0.00 C ATOM 896 OE1 GLN A 58 25.232 32.022 0.064 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.704 32.183 2.198 1.00 0.00 N ATOM 0 H GLN A 58 21.621 32.248 4.164 1.00 0.00 H new ATOM 0 HA GLN A 58 21.454 34.870 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 58 23.116 34.297 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.792 33.855 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 58 23.093 31.438 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.733 31.979 0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.383 32.258 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.703 32.163 1.993 1.00 0.00 H new ATOM 906 N PRO A 59 20.010 33.842 0.877 1.00 0.00 N ATOM 907 CA PRO A 59 18.940 33.299 0.039 1.00 0.00 C ATOM 908 C PRO A 59 19.323 31.951 -0.587 1.00 0.00 C ATOM 909 O PRO A 59 20.498 31.585 -0.692 1.00 0.00 O ATOM 910 CB PRO A 59 18.653 34.376 -1.014 1.00 0.00 C ATOM 911 CG PRO A 59 19.979 35.126 -1.122 1.00 0.00 C ATOM 912 CD PRO A 59 20.496 35.096 0.313 1.00 0.00 C ATOM 0 HA PRO A 59 18.048 33.080 0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 59 18.360 33.938 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.842 35.035 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.667 34.636 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.840 36.146 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.585 35.142 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.127 35.950 0.881 1.00 0.00 H new ATOM 920 N VAL A 60 18.312 31.211 -1.045 1.00 0.00 N ATOM 921 CA VAL A 60 18.508 30.007 -1.863 1.00 0.00 C ATOM 922 C VAL A 60 18.967 30.466 -3.246 1.00 0.00 C ATOM 923 O VAL A 60 18.491 31.477 -3.770 1.00 0.00 O ATOM 924 CB VAL A 60 17.171 29.232 -1.956 1.00 0.00 C ATOM 925 CG1 VAL A 60 17.117 28.140 -3.035 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.805 28.608 -0.604 1.00 0.00 C ATOM 0 H VAL A 60 17.332 31.427 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 60 19.254 29.343 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 60 16.446 29.991 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.139 27.658 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 60 17.282 28.588 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.891 27.398 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.862 28.069 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.590 27.916 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 60 16.703 29.394 0.144 1.00 0.00 H new ATOM 936 N VAL A 61 19.872 29.702 -3.848 1.00 0.00 N ATOM 937 CA VAL A 61 20.272 29.852 -5.257 1.00 0.00 C ATOM 938 C VAL A 61 19.819 28.601 -6.008 1.00 0.00 C ATOM 939 O VAL A 61 19.955 27.493 -5.493 1.00 0.00 O ATOM 940 CB VAL A 61 21.789 30.091 -5.397 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.232 30.223 -6.859 1.00 0.00 C ATOM 942 CG2 VAL A 61 22.211 31.367 -4.663 1.00 0.00 C ATOM 0 H VAL A 61 20.361 28.946 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 61 19.794 30.732 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 61 22.269 29.216 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.308 30.390 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.986 29.308 -7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.717 31.065 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.285 31.514 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.682 32.221 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.967 31.275 -3.605 1.00 0.00 H new ATOM 952 N GLU A 62 19.291 28.782 -7.215 1.00 0.00 N ATOM 953 CA GLU A 62 18.931 27.706 -8.148 1.00 0.00 C ATOM 954 C GLU A 62 19.652 27.949 -9.482 1.00 0.00 C ATOM 955 O GLU A 62 19.432 28.975 -10.129 1.00 0.00 O ATOM 956 CB GLU A 62 17.404 27.637 -8.347 1.00 0.00 C ATOM 957 CG GLU A 62 16.621 27.381 -7.050 1.00 0.00 C ATOM 958 CD GLU A 62 15.106 27.274 -7.314 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.428 28.321 -7.451 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.559 26.146 -7.357 1.00 0.00 O ATOM 0 H GLU A 62 19.093 29.711 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 62 19.244 26.746 -7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.062 28.573 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.175 26.846 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.976 26.461 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.812 28.189 -6.344 1.00 0.00 H new ATOM 967 N VAL A 63 20.516 27.020 -9.901 1.00 0.00 N ATOM 968 CA VAL A 63 21.235 27.052 -11.186 1.00 0.00 C ATOM 969 C VAL A 63 20.478 26.256 -12.253 1.00 0.00 C ATOM 970 O VAL A 63 19.764 25.307 -11.927 1.00 0.00 O ATOM 971 CB VAL A 63 22.640 26.466 -10.990 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.539 26.614 -12.216 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.394 27.086 -9.816 1.00 0.00 C ATOM 0 H VAL A 63 20.744 26.198 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 63 21.310 28.085 -11.525 1.00 0.00 H new ATOM 0 HB VAL A 63 22.441 25.412 -10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.516 26.178 -12.006 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.086 26.099 -13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.657 27.671 -12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.379 26.627 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.505 28.158 -9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.836 26.916 -8.895 1.00 0.00 H new ATOM 983 N GLY A 64 20.664 26.583 -13.536 1.00 0.00 N ATOM 984 CA GLY A 64 20.010 25.880 -14.642 1.00 0.00 C ATOM 985 C GLY A 64 18.538 26.284 -14.743 1.00 0.00 C ATOM 986 O GLY A 64 18.236 27.418 -15.123 1.00 0.00 O ATOM 0 H GLY A 64 21.273 27.344 -13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.520 26.109 -15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.087 24.803 -14.492 1.00 0.00 H new ATOM 990 N THR A 65 17.619 25.378 -14.395 1.00 0.00 N ATOM 991 CA THR A 65 16.188 25.705 -14.239 1.00 0.00 C ATOM 992 C THR A 65 15.494 24.730 -13.278 1.00 0.00 C ATOM 993 O THR A 65 16.016 23.671 -12.946 1.00 0.00 O ATOM 994 CB THR A 65 15.468 25.801 -15.601 1.00 0.00 C ATOM 995 OG1 THR A 65 14.180 26.351 -15.433 1.00 0.00 O ATOM 996 CG2 THR A 65 15.329 24.479 -16.354 1.00 0.00 C ATOM 0 H THR A 65 17.839 24.399 -14.213 1.00 0.00 H new ATOM 0 HA THR A 65 16.125 26.695 -13.788 1.00 0.00 H new ATOM 0 HB THR A 65 16.109 26.442 -16.207 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.733 26.409 -16.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.811 24.650 -17.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.319 24.068 -16.553 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.758 23.774 -15.749 1.00 0.00 H new ATOM 1004 N LYS A 66 14.327 25.106 -12.765 1.00 0.00 N ATOM 1005 CA LYS A 66 13.560 24.336 -11.774 1.00 0.00 C ATOM 1006 C LYS A 66 13.141 22.951 -12.329 1.00 0.00 C ATOM 1007 O LYS A 66 12.804 22.870 -13.518 1.00 0.00 O ATOM 1008 CB LYS A 66 12.363 25.194 -11.315 1.00 0.00 C ATOM 1009 CG LYS A 66 11.940 24.894 -9.871 1.00 0.00 C ATOM 1010 CD LYS A 66 10.888 25.896 -9.371 1.00 0.00 C ATOM 1011 CE LYS A 66 10.700 25.797 -7.850 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.790 26.485 -7.103 1.00 0.00 N ATOM 0 H LYS A 66 13.870 25.978 -13.030 1.00 0.00 H new ATOM 0 HA LYS A 66 14.181 24.116 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.623 26.249 -11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.518 25.018 -11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.538 23.883 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.814 24.928 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.192 26.908 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.937 25.708 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.741 26.235 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.667 24.748 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.689 26.293 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.712 26.133 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.732 27.510 -7.269 1.00 0.00 H new ATOM 1026 N PRO A 67 13.159 21.874 -11.509 1.00 0.00 N ATOM 1027 CA PRO A 67 12.845 20.501 -11.935 1.00 0.00 C ATOM 1028 C PRO A 67 11.388 20.252 -12.392 1.00 0.00 C ATOM 1029 O PRO A 67 10.611 21.175 -12.648 1.00 0.00 O ATOM 1030 CB PRO A 67 13.335 19.611 -10.780 1.00 0.00 C ATOM 1031 CG PRO A 67 13.301 20.510 -9.560 1.00 0.00 C ATOM 1032 CD PRO A 67 13.722 21.845 -10.163 1.00 0.00 C ATOM 0 HA PRO A 67 13.357 20.259 -12.866 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.691 18.742 -10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.341 19.237 -10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.309 20.556 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.988 20.175 -8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.349 22.677 -9.566 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.808 21.935 -10.192 1.00 0.00 H new ATOM 1040 N THR A 68 11.041 18.965 -12.526 1.00 0.00 N ATOM 1041 CA THR A 68 9.785 18.498 -13.161 1.00 0.00 C ATOM 1042 C THR A 68 8.816 17.673 -12.299 1.00 0.00 C ATOM 1043 O THR A 68 7.617 17.661 -12.584 1.00 0.00 O ATOM 1044 CB THR A 68 10.121 17.794 -14.489 1.00 0.00 C ATOM 1045 OG1 THR A 68 9.030 17.846 -15.381 1.00 0.00 O ATOM 1046 CG2 THR A 68 10.544 16.330 -14.351 1.00 0.00 C ATOM 0 H THR A 68 11.629 18.201 -12.193 1.00 0.00 H new ATOM 0 HA THR A 68 9.204 19.405 -13.330 1.00 0.00 H new ATOM 0 HB THR A 68 10.978 18.348 -14.872 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.192 17.808 -14.875 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.760 15.919 -15.337 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.436 16.266 -13.728 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.738 15.760 -13.889 1.00 0.00 H new ATOM 1054 N GLY A 69 9.288 16.990 -11.245 1.00 0.00 N ATOM 1055 CA GLY A 69 8.478 16.051 -10.430 1.00 0.00 C ATOM 1056 C GLY A 69 8.926 14.583 -10.513 1.00 0.00 C ATOM 1057 O GLY A 69 8.513 13.743 -9.715 1.00 0.00 O ATOM 0 H GLY A 69 10.253 17.070 -10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.514 16.370 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.438 16.118 -10.748 1.00 0.00 H new ATOM 1061 N ASP A 70 9.832 14.308 -11.449 1.00 0.00 N ATOM 1062 CA ASP A 70 10.578 13.057 -11.641 1.00 0.00 C ATOM 1063 C ASP A 70 12.069 13.357 -11.889 1.00 0.00 C ATOM 1064 O ASP A 70 12.526 13.465 -13.029 1.00 0.00 O ATOM 1065 CB ASP A 70 9.950 12.218 -12.769 1.00 0.00 C ATOM 1066 CG ASP A 70 8.489 11.829 -12.494 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.272 10.823 -11.772 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.562 12.482 -13.032 1.00 0.00 O ATOM 0 H ASP A 70 10.086 15.005 -12.149 1.00 0.00 H new ATOM 0 HA ASP A 70 10.516 12.459 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.000 12.780 -13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.540 11.312 -12.911 1.00 0.00 H new ATOM 1073 N VAL A 71 12.839 13.545 -10.810 1.00 0.00 N ATOM 1074 CA VAL A 71 14.265 13.919 -10.846 1.00 0.00 C ATOM 1075 C VAL A 71 15.074 13.162 -9.788 1.00 0.00 C ATOM 1076 O VAL A 71 14.576 12.857 -8.701 1.00 0.00 O ATOM 1077 CB VAL A 71 14.491 15.439 -10.648 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.122 16.228 -11.905 1.00 0.00 C ATOM 1079 CG2 VAL A 71 13.712 16.053 -9.473 1.00 0.00 C ATOM 0 H VAL A 71 12.481 13.439 -9.861 1.00 0.00 H new ATOM 0 HA VAL A 71 14.611 13.643 -11.842 1.00 0.00 H new ATOM 0 HB VAL A 71 15.555 15.517 -10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.293 17.290 -11.731 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.739 15.893 -12.739 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.071 16.064 -12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.930 17.119 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.643 15.910 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.010 15.566 -8.545 1.00 0.00 H new ATOM 1089 N LEU A 72 16.332 12.868 -10.111 1.00 0.00 N ATOM 1090 CA LEU A 72 17.342 12.360 -9.181 1.00 0.00 C ATOM 1091 C LEU A 72 17.743 13.510 -8.265 1.00 0.00 C ATOM 1092 O LEU A 72 17.739 14.665 -8.692 1.00 0.00 O ATOM 1093 CB LEU A 72 18.579 11.864 -9.953 1.00 0.00 C ATOM 1094 CG LEU A 72 18.267 10.671 -10.860 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.440 10.362 -11.788 1.00 0.00 C ATOM 1096 CD2 LEU A 72 17.946 9.423 -10.048 1.00 0.00 C ATOM 0 H LEU A 72 16.690 12.980 -11.060 1.00 0.00 H new ATOM 0 HA LEU A 72 16.939 11.525 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.978 12.680 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.357 11.583 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 72 17.396 10.948 -11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.189 9.510 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.647 11.230 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.322 10.125 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.729 8.595 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.801 9.166 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.078 9.613 -9.417 1.00 0.00 H new ATOM 1108 N GLN A 73 18.114 13.216 -7.023 1.00 0.00 N ATOM 1109 CA GLN A 73 18.483 14.226 -6.026 1.00 0.00 C ATOM 1110 C GLN A 73 19.783 13.800 -5.334 1.00 0.00 C ATOM 1111 O GLN A 73 19.808 12.795 -4.624 1.00 0.00 O ATOM 1112 CB GLN A 73 17.343 14.404 -5.009 1.00 0.00 C ATOM 1113 CG GLN A 73 16.104 15.077 -5.622 1.00 0.00 C ATOM 1114 CD GLN A 73 15.137 15.582 -4.551 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.855 14.921 -3.558 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.599 16.773 -4.693 1.00 0.00 N ATOM 0 H GLN A 73 18.169 12.260 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 73 18.647 15.187 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.062 13.430 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.699 15.002 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.418 15.911 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.589 14.367 -6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.821 17.339 -5.512 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.960 17.132 -3.984 1.00 0.00 H new ATOM 1125 N GLY A 74 20.864 14.553 -5.539 1.00 0.00 N ATOM 1126 CA GLY A 74 22.122 14.423 -4.794 1.00 0.00 C ATOM 1127 C GLY A 74 22.175 15.489 -3.709 1.00 0.00 C ATOM 1128 O GLY A 74 21.644 16.575 -3.913 1.00 0.00 O ATOM 0 H GLY A 74 20.892 15.289 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.194 13.431 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.971 14.532 -5.469 1.00 0.00 H new ATOM 1132 N ARG A 75 22.807 15.207 -2.574 1.00 0.00 N ATOM 1133 CA ARG A 75 22.740 16.057 -1.367 1.00 0.00 C ATOM 1134 C ARG A 75 24.009 15.981 -0.516 1.00 0.00 C ATOM 1135 O ARG A 75 24.644 14.932 -0.423 1.00 0.00 O ATOM 1136 CB ARG A 75 21.491 15.653 -0.556 1.00 0.00 C ATOM 1137 CG ARG A 75 21.131 16.646 0.563 1.00 0.00 C ATOM 1138 CD ARG A 75 19.844 16.207 1.273 1.00 0.00 C ATOM 1139 NE ARG A 75 19.478 17.126 2.372 1.00 0.00 N ATOM 1140 CZ ARG A 75 19.913 17.108 3.621 1.00 0.00 C ATOM 1141 NH1 ARG A 75 20.818 16.264 4.034 1.00 0.00 N ATOM 1142 NH2 ARG A 75 19.441 17.952 4.493 1.00 0.00 N ATOM 0 H ARG A 75 23.388 14.377 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 75 22.663 17.099 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.643 15.561 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.657 14.669 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.948 16.706 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.001 17.644 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.029 16.162 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.974 15.200 1.670 1.00 0.00 H new ATOM 0 HE ARG A 75 18.811 17.861 2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.217 15.586 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.127 16.283 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.733 18.631 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.780 17.934 5.455 1.00 0.00 H new ATOM 1156 N ALA A 76 24.367 17.093 0.126 1.00 0.00 N ATOM 1157 CA ALA A 76 25.569 17.205 0.949 1.00 0.00 C ATOM 1158 C ALA A 76 25.464 18.303 2.015 1.00 0.00 C ATOM 1159 O ALA A 76 24.752 19.291 1.833 1.00 0.00 O ATOM 1160 CB ALA A 76 26.728 17.504 -0.003 1.00 0.00 C ATOM 0 H ALA A 76 23.821 17.954 0.088 1.00 0.00 H new ATOM 0 HA ALA A 76 25.718 16.274 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.652 17.597 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.826 16.692 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.533 18.437 -0.532 1.00 0.00 H new ATOM 1166 N THR A 77 26.244 18.150 3.086 1.00 0.00 N ATOM 1167 CA THR A 77 26.469 19.167 4.126 1.00 0.00 C ATOM 1168 C THR A 77 27.931 19.625 4.085 1.00 0.00 C ATOM 1169 O THR A 77 28.842 18.792 4.059 1.00 0.00 O ATOM 1170 CB THR A 77 26.092 18.633 5.519 1.00 0.00 C ATOM 1171 OG1 THR A 77 24.719 18.294 5.553 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.338 19.637 6.646 1.00 0.00 C ATOM 0 H THR A 77 26.756 17.286 3.264 1.00 0.00 H new ATOM 0 HA THR A 77 25.825 20.023 3.927 1.00 0.00 H new ATOM 0 HB THR A 77 26.733 17.766 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.488 17.953 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.050 19.193 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.395 19.901 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.745 20.534 6.470 1.00 0.00 H new ATOM 1180 N GLY A 78 28.156 20.940 4.054 1.00 0.00 N ATOM 1181 CA GLY A 78 29.491 21.547 3.986 1.00 0.00 C ATOM 1182 C GLY A 78 30.124 21.884 5.348 1.00 0.00 C ATOM 1183 O GLY A 78 29.753 21.334 6.388 1.00 0.00 O ATOM 0 H GLY A 78 27.403 21.627 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.155 20.868 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.428 22.461 3.396 1.00 0.00 H new ATOM 1187 N GLU A 79 31.116 22.778 5.317 1.00 0.00 N ATOM 1188 CA GLU A 79 31.998 23.090 6.449 1.00 0.00 C ATOM 1189 C GLU A 79 31.654 24.365 7.255 1.00 0.00 C ATOM 1190 O GLU A 79 32.131 24.492 8.386 1.00 0.00 O ATOM 1191 CB GLU A 79 33.458 23.054 5.975 1.00 0.00 C ATOM 1192 CG GLU A 79 33.961 21.610 5.842 1.00 0.00 C ATOM 1193 CD GLU A 79 35.447 21.554 5.442 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.320 21.893 6.278 1.00 0.00 O ATOM 1195 OE2 GLU A 79 35.758 21.124 4.303 1.00 0.00 O ATOM 0 H GLU A 79 31.335 23.321 4.482 1.00 0.00 H new ATOM 0 HA GLU A 79 31.828 22.309 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.544 23.562 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.086 23.598 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.820 21.088 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.364 21.085 5.096 1.00 0.00 H new ATOM 1202 N GLU A 80 30.809 25.277 6.752 1.00 0.00 N ATOM 1203 CA GLU A 80 30.260 26.377 7.566 1.00 0.00 C ATOM 1204 C GLU A 80 28.912 25.995 8.223 1.00 0.00 C ATOM 1205 O GLU A 80 28.327 26.784 8.972 1.00 0.00 O ATOM 1206 CB GLU A 80 30.100 27.626 6.708 1.00 0.00 C ATOM 1207 CG GLU A 80 31.433 28.173 6.191 1.00 0.00 C ATOM 1208 CD GLU A 80 32.324 28.715 7.327 1.00 0.00 C ATOM 1209 OE1 GLU A 80 31.994 29.782 7.902 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.366 28.096 7.653 1.00 0.00 O ATOM 0 H GLU A 80 30.489 25.276 5.783 1.00 0.00 H new ATOM 0 HA GLU A 80 30.965 26.579 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.454 27.397 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 80 29.598 28.398 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 80 31.965 27.384 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.242 28.969 5.471 1.00 0.00 H new ATOM 1217 N GLY A 81 28.422 24.782 7.947 1.00 0.00 N ATOM 1218 CA GLY A 81 27.114 24.255 8.366 1.00 0.00 C ATOM 1219 C GLY A 81 26.019 24.407 7.301 1.00 0.00 C ATOM 1220 O GLY A 81 24.827 24.382 7.617 1.00 0.00 O ATOM 0 H GLY A 81 28.952 24.105 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.221 23.200 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 81 26.799 24.769 9.274 1.00 0.00 H new ATOM 1224 N GLU A 82 26.415 24.587 6.041 1.00 0.00 N ATOM 1225 CA GLU A 82 25.541 24.694 4.878 1.00 0.00 C ATOM 1226 C GLU A 82 25.051 23.344 4.340 1.00 0.00 C ATOM 1227 O GLU A 82 25.643 22.299 4.595 1.00 0.00 O ATOM 1228 CB GLU A 82 26.214 25.498 3.755 1.00 0.00 C ATOM 1229 CG GLU A 82 27.343 24.833 2.941 1.00 0.00 C ATOM 1230 CD GLU A 82 28.741 24.887 3.588 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.849 24.732 4.825 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.738 25.001 2.840 1.00 0.00 O ATOM 0 H GLU A 82 27.402 24.666 5.794 1.00 0.00 H new ATOM 0 HA GLU A 82 24.656 25.225 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.436 25.802 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.618 26.409 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.080 23.789 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.394 25.312 1.963 1.00 0.00 H new ATOM 1239 N THR A 83 24.002 23.397 3.517 1.00 0.00 N ATOM 1240 CA THR A 83 23.460 22.232 2.790 1.00 0.00 C ATOM 1241 C THR A 83 23.324 22.546 1.302 1.00 0.00 C ATOM 1242 O THR A 83 22.950 23.657 0.921 1.00 0.00 O ATOM 1243 CB THR A 83 22.158 21.732 3.443 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.458 21.191 4.712 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.447 20.622 2.667 1.00 0.00 C ATOM 0 H THR A 83 23.493 24.261 3.329 1.00 0.00 H new ATOM 0 HA THR A 83 24.163 21.402 2.862 1.00 0.00 H new ATOM 0 HB THR A 83 21.501 22.601 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.633 20.872 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.541 20.330 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.185 20.984 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.108 19.760 2.577 1.00 0.00 H new ATOM 1253 N VAL A 84 23.648 21.570 0.454 1.00 0.00 N ATOM 1254 CA VAL A 84 23.725 21.683 -1.013 1.00 0.00 C ATOM 1255 C VAL A 84 22.970 20.521 -1.650 1.00 0.00 C ATOM 1256 O VAL A 84 23.016 19.400 -1.142 1.00 0.00 O ATOM 1257 CB VAL A 84 25.200 21.695 -1.466 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.371 21.737 -2.991 1.00 0.00 C ATOM 1259 CG2 VAL A 84 25.900 22.928 -0.894 1.00 0.00 C ATOM 0 H VAL A 84 23.876 20.631 0.781 1.00 0.00 H new ATOM 0 HA VAL A 84 23.265 22.618 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 84 25.635 20.765 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.433 21.743 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.901 20.859 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 84 24.901 22.638 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 84 26.942 22.936 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.403 23.829 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.855 22.900 0.195 1.00 0.00 H new ATOM 1269 N LEU A 85 22.297 20.794 -2.767 1.00 0.00 N ATOM 1270 CA LEU A 85 21.497 19.838 -3.530 1.00 0.00 C ATOM 1271 C LEU A 85 21.856 19.868 -5.031 1.00 0.00 C ATOM 1272 O LEU A 85 22.173 20.913 -5.595 1.00 0.00 O ATOM 1273 CB LEU A 85 20.003 20.137 -3.262 1.00 0.00 C ATOM 1274 CG LEU A 85 19.000 19.102 -3.816 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.873 17.873 -2.917 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.603 19.706 -3.935 1.00 0.00 C ATOM 0 H LEU A 85 22.294 21.726 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 85 21.715 18.821 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.856 20.217 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.765 21.111 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 85 19.391 18.809 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.156 17.177 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.844 17.385 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.529 18.179 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.915 18.957 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.263 20.032 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.633 20.561 -4.611 1.00 0.00 H new ATOM 1288 N VAL A 86 21.756 18.719 -5.696 1.00 0.00 N ATOM 1289 CA VAL A 86 21.872 18.527 -7.152 1.00 0.00 C ATOM 1290 C VAL A 86 20.592 17.878 -7.654 1.00 0.00 C ATOM 1291 O VAL A 86 20.118 16.943 -7.015 1.00 0.00 O ATOM 1292 CB VAL A 86 23.064 17.616 -7.493 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.081 17.255 -8.979 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.388 18.280 -7.103 1.00 0.00 C ATOM 0 H VAL A 86 21.581 17.840 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 86 22.031 19.495 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 86 22.947 16.698 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 86 23.935 16.611 -9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.160 16.732 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.160 18.165 -9.574 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.216 17.616 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.498 19.219 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.394 18.478 -6.031 1.00 0.00 H new ATOM 1304 N GLU A 87 20.058 18.312 -8.799 1.00 0.00 N ATOM 1305 CA GLU A 87 18.851 17.730 -9.398 1.00 0.00 C ATOM 1306 C GLU A 87 18.976 17.543 -10.922 1.00 0.00 C ATOM 1307 O GLU A 87 19.443 18.432 -11.635 1.00 0.00 O ATOM 1308 CB GLU A 87 17.604 18.554 -9.019 1.00 0.00 C ATOM 1309 CG GLU A 87 17.435 18.683 -7.497 1.00 0.00 C ATOM 1310 CD GLU A 87 16.063 19.256 -7.117 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.924 20.500 -7.042 1.00 0.00 O ATOM 1312 OE2 GLU A 87 15.133 18.453 -6.855 1.00 0.00 O ATOM 0 H GLU A 87 20.452 19.081 -9.340 1.00 0.00 H new ATOM 0 HA GLU A 87 18.734 16.729 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.679 19.548 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.717 18.083 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.560 17.704 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.219 19.326 -7.098 1.00 0.00 H new ATOM 1319 N GLU A 88 18.566 16.370 -11.419 1.00 0.00 N ATOM 1320 CA GLU A 88 18.542 16.052 -12.856 1.00 0.00 C ATOM 1321 C GLU A 88 17.435 15.054 -13.251 1.00 0.00 C ATOM 1322 O GLU A 88 17.033 14.247 -12.414 1.00 0.00 O ATOM 1323 CB GLU A 88 19.934 15.569 -13.285 1.00 0.00 C ATOM 1324 CG GLU A 88 20.441 14.305 -12.594 1.00 0.00 C ATOM 1325 CD GLU A 88 21.794 13.903 -13.206 1.00 0.00 C ATOM 1326 OE1 GLU A 88 22.769 14.672 -13.068 1.00 0.00 O ATOM 1327 OE2 GLU A 88 21.907 12.821 -13.829 1.00 0.00 O ATOM 0 H GLU A 88 18.237 15.605 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 88 18.290 16.965 -13.395 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.921 15.392 -14.360 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.649 16.372 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.550 14.480 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.720 13.497 -12.713 1.00 0.00 H new ATOM 1334 N PRO A 89 16.914 15.079 -14.496 1.00 0.00 N ATOM 1335 CA PRO A 89 15.796 14.227 -14.926 1.00 0.00 C ATOM 1336 C PRO A 89 16.078 12.723 -14.770 1.00 0.00 C ATOM 1337 O PRO A 89 17.092 12.206 -15.255 1.00 0.00 O ATOM 1338 CB PRO A 89 15.507 14.614 -16.381 1.00 0.00 C ATOM 1339 CG PRO A 89 16.822 15.227 -16.856 1.00 0.00 C ATOM 1340 CD PRO A 89 17.323 15.935 -15.602 1.00 0.00 C ATOM 0 HA PRO A 89 14.928 14.394 -14.288 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.230 13.746 -16.979 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.684 15.326 -16.451 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.523 14.467 -17.202 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.672 15.922 -17.682 1.00 0.00 H new ATOM 0 HD2 PRO A 89 18.406 16.060 -15.625 1.00 0.00 H new ATOM 0 HD3 PRO A 89 16.889 16.931 -15.511 1.00 0.00 H new ATOM 1348 N ARG A 90 15.148 12.026 -14.098 1.00 0.00 N ATOM 1349 CA ARG A 90 15.198 10.576 -13.837 1.00 0.00 C ATOM 1350 C ARG A 90 14.876 9.750 -15.093 1.00 0.00 C ATOM 1351 O ARG A 90 15.675 8.844 -15.427 1.00 0.00 O ATOM 1352 CB ARG A 90 14.284 10.226 -12.649 1.00 0.00 C ATOM 1353 CG ARG A 90 14.510 8.787 -12.152 1.00 0.00 C ATOM 1354 CD ARG A 90 13.501 8.405 -11.063 1.00 0.00 C ATOM 1355 NE ARG A 90 12.154 8.195 -11.634 1.00 0.00 N ATOM 1356 CZ ARG A 90 11.033 8.815 -11.322 1.00 0.00 C ATOM 1357 NH1 ARG A 90 10.932 9.643 -10.323 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.962 8.631 -12.030 1.00 0.00 N ATOM 1359 OXT ARG A 90 13.832 9.999 -15.740 1.00 0.00 O ATOM 0 H ARG A 90 14.315 12.468 -13.709 1.00 0.00 H new ATOM 0 HA ARG A 90 16.219 10.309 -13.566 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.467 10.925 -11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.242 10.348 -12.945 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.424 8.094 -12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.523 8.691 -11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.831 7.496 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.461 9.191 -10.309 1.00 0.00 H new ATOM 0 HE ARG A 90 12.083 7.482 -12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.745 9.838 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.040 10.097 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.984 8.003 -12.834 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.098 9.114 -11.783 1.00 0.00 H new