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 Single : A 24 SER OG : rot 68:sc= 0.665 USER MOD Single : A 28 SER OG : rot 71:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.108 X(o=0.11,f=-0.19) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.03) USER MOD Single : A 68 THR OG1 : rot -29:sc= 0.0148 USER MOD Single : A 73 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0052) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.429 7.028 -6.742 1.00 0.00 N ATOM 171 CA GLU A 13 24.718 7.110 -6.029 1.00 0.00 C ATOM 172 C GLU A 13 25.622 8.222 -6.607 1.00 0.00 C ATOM 173 O GLU A 13 26.132 9.062 -5.873 1.00 0.00 O ATOM 174 CB GLU A 13 25.373 5.716 -6.042 1.00 0.00 C ATOM 175 CG GLU A 13 26.678 5.614 -5.240 1.00 0.00 C ATOM 176 CD GLU A 13 26.411 5.557 -3.722 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.298 6.626 -3.078 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.309 4.436 -3.164 1.00 0.00 O ATOM 0 HA GLU A 13 24.554 7.399 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.661 4.991 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.574 5.434 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.225 4.723 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.312 6.471 -5.466 1.00 0.00 H new ATOM 185 N ARG A 14 25.781 8.279 -7.936 1.00 0.00 N ATOM 186 CA ARG A 14 26.711 9.203 -8.625 1.00 0.00 C ATOM 187 C ARG A 14 26.396 10.683 -8.393 1.00 0.00 C ATOM 188 O ARG A 14 27.316 11.495 -8.307 1.00 0.00 O ATOM 189 CB ARG A 14 26.839 8.849 -10.113 1.00 0.00 C ATOM 190 CG ARG A 14 25.568 9.059 -10.955 1.00 0.00 C ATOM 191 CD ARG A 14 25.495 10.385 -11.724 1.00 0.00 C ATOM 192 NE ARG A 14 26.563 10.471 -12.734 1.00 0.00 N ATOM 193 CZ ARG A 14 26.765 11.472 -13.568 1.00 0.00 C ATOM 194 NH1 ARG A 14 25.962 12.476 -13.707 1.00 0.00 N ATOM 195 NH2 ARG A 14 27.812 11.505 -14.334 1.00 0.00 N ATOM 0 H ARG A 14 25.263 7.679 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 14 27.689 9.057 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.642 9.447 -10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.140 7.805 -10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.488 8.240 -11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.702 8.993 -10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.523 10.475 -12.209 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.581 11.219 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 14 27.207 9.682 -12.794 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.109 12.527 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.182 13.217 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 14 28.495 10.748 -14.297 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.952 12.288 -14.973 1.00 0.00 H new ATOM 209 N VAL A 15 25.112 11.013 -8.216 1.00 0.00 N ATOM 210 CA VAL A 15 24.672 12.368 -7.834 1.00 0.00 C ATOM 211 C VAL A 15 25.133 12.773 -6.430 1.00 0.00 C ATOM 212 O VAL A 15 25.240 13.965 -6.149 1.00 0.00 O ATOM 213 CB VAL A 15 23.156 12.598 -7.993 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.726 12.517 -9.456 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.299 11.617 -7.191 1.00 0.00 C ATOM 0 H VAL A 15 24.345 10.351 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 15 25.169 13.021 -8.551 1.00 0.00 H new ATOM 0 HB VAL A 15 22.988 13.601 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.651 12.684 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.252 13.278 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.968 11.531 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.244 11.840 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.509 10.599 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.532 11.713 -6.131 1.00 0.00 H new ATOM 225 N ASP A 16 25.464 11.827 -5.546 1.00 0.00 N ATOM 226 CA ASP A 16 25.948 12.172 -4.197 1.00 0.00 C ATOM 227 C ASP A 16 27.360 12.801 -4.218 1.00 0.00 C ATOM 228 O ASP A 16 27.601 13.812 -3.557 1.00 0.00 O ATOM 229 CB ASP A 16 25.911 10.924 -3.303 1.00 0.00 C ATOM 230 CG ASP A 16 26.265 11.246 -1.843 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.342 11.603 -1.074 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.450 11.104 -1.454 1.00 0.00 O ATOM 0 H ASP A 16 25.408 10.826 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 16 25.283 12.931 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.917 10.479 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.609 10.181 -3.689 1.00 0.00 H new ATOM 237 N LEU A 17 28.286 12.252 -5.017 1.00 0.00 N ATOM 238 CA LEU A 17 29.705 12.634 -4.994 1.00 0.00 C ATOM 239 C LEU A 17 29.915 14.054 -5.539 1.00 0.00 C ATOM 240 O LEU A 17 30.657 14.855 -4.971 1.00 0.00 O ATOM 241 CB LEU A 17 30.527 11.612 -5.811 1.00 0.00 C ATOM 242 CG LEU A 17 30.750 10.204 -5.219 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.357 10.249 -3.816 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.487 9.342 -5.179 1.00 0.00 C ATOM 0 H LEU A 17 28.070 11.527 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 17 30.047 12.630 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.039 11.491 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.507 12.051 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 17 31.455 9.739 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.493 9.233 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.322 10.754 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.689 10.792 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.724 8.368 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.731 9.833 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.105 9.209 -6.191 1.00 0.00 H new ATOM 256 N GLU A 18 29.197 14.385 -6.607 1.00 0.00 N ATOM 257 CA GLU A 18 29.149 15.729 -7.193 1.00 0.00 C ATOM 258 C GLU A 18 28.483 16.758 -6.261 1.00 0.00 C ATOM 259 O GLU A 18 28.900 17.915 -6.234 1.00 0.00 O ATOM 260 CB GLU A 18 28.487 15.657 -8.575 1.00 0.00 C ATOM 261 CG GLU A 18 27.092 15.018 -8.544 1.00 0.00 C ATOM 262 CD GLU A 18 26.576 14.687 -9.962 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.340 14.131 -10.790 1.00 0.00 O ATOM 264 OE2 GLU A 18 25.387 14.966 -10.240 1.00 0.00 O ATOM 0 H GLU A 18 28.615 13.711 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 18 30.169 16.091 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.410 16.663 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.127 15.086 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.124 14.106 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.394 15.696 -8.053 1.00 0.00 H new ATOM 271 N ALA A 19 27.531 16.351 -5.413 1.00 0.00 N ATOM 272 CA ALA A 19 26.982 17.221 -4.372 1.00 0.00 C ATOM 273 C ALA A 19 28.017 17.528 -3.275 1.00 0.00 C ATOM 274 O ALA A 19 28.106 18.670 -2.828 1.00 0.00 O ATOM 275 CB ALA A 19 25.696 16.586 -3.830 1.00 0.00 C ATOM 0 H ALA A 19 27.124 15.416 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 19 26.731 18.192 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.275 17.224 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.975 16.477 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.923 15.605 -3.412 1.00 0.00 H new ATOM 281 N VAL A 20 28.862 16.560 -2.893 1.00 0.00 N ATOM 282 CA VAL A 20 29.996 16.779 -1.962 1.00 0.00 C ATOM 283 C VAL A 20 31.087 17.648 -2.606 1.00 0.00 C ATOM 284 O VAL A 20 31.641 18.540 -1.957 1.00 0.00 O ATOM 285 CB VAL A 20 30.559 15.434 -1.450 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.787 15.616 -0.547 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.503 14.678 -0.633 1.00 0.00 C ATOM 0 H VAL A 20 28.784 15.596 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 20 29.621 17.326 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 20 30.844 14.874 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.142 14.640 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.577 16.120 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.515 16.217 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.921 13.734 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.204 15.283 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.633 14.479 -1.258 1.00 0.00 H new ATOM 297 N ARG A 21 31.341 17.479 -3.912 1.00 0.00 N ATOM 298 CA ARG A 21 32.223 18.370 -4.681 1.00 0.00 C ATOM 299 C ARG A 21 31.723 19.813 -4.658 1.00 0.00 C ATOM 300 O ARG A 21 32.496 20.695 -4.319 1.00 0.00 O ATOM 301 CB ARG A 21 32.401 17.809 -6.105 1.00 0.00 C ATOM 302 CG ARG A 21 33.388 18.596 -6.983 1.00 0.00 C ATOM 303 CD ARG A 21 34.785 18.807 -6.377 1.00 0.00 C ATOM 304 NE ARG A 21 35.437 17.530 -6.021 1.00 0.00 N ATOM 305 CZ ARG A 21 36.559 17.376 -5.338 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.249 18.394 -4.907 1.00 0.00 N ATOM 307 NH2 ARG A 21 37.013 16.185 -5.074 1.00 0.00 N ATOM 0 H ARG A 21 30.941 16.721 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 21 33.207 18.400 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.741 16.776 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.429 17.792 -6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.498 18.075 -7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 21 32.955 19.572 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.410 19.346 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.703 19.432 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 21 34.973 16.678 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.927 19.344 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.111 18.241 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.503 15.362 -5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.879 16.075 -4.547 1.00 0.00 H new ATOM 321 N LEU A 22 30.434 20.068 -4.886 1.00 0.00 N ATOM 322 CA LEU A 22 29.844 21.406 -4.765 1.00 0.00 C ATOM 323 C LEU A 22 29.782 21.897 -3.324 1.00 0.00 C ATOM 324 O LEU A 22 30.039 23.070 -3.120 1.00 0.00 O ATOM 325 CB LEU A 22 28.500 21.521 -5.488 1.00 0.00 C ATOM 326 CG LEU A 22 28.688 21.911 -6.966 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.146 20.758 -7.856 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.370 22.451 -7.492 1.00 0.00 C ATOM 0 H LEU A 22 29.764 19.350 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 22 30.525 22.084 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.969 20.571 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.880 22.266 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 22 29.480 22.660 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.256 21.111 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.104 20.380 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.406 19.958 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.484 22.733 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.601 21.683 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.077 23.325 -6.911 1.00 0.00 H new ATOM 340 N ALA A 23 29.569 21.050 -2.317 1.00 0.00 N ATOM 341 CA ALA A 23 29.736 21.478 -0.923 1.00 0.00 C ATOM 342 C ALA A 23 31.165 22.018 -0.688 1.00 0.00 C ATOM 343 O ALA A 23 31.350 23.015 0.006 1.00 0.00 O ATOM 344 CB ALA A 23 29.364 20.307 -0.012 1.00 0.00 C ATOM 0 H ALA A 23 29.285 20.077 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 23 29.070 22.308 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.482 20.605 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.328 20.020 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.017 19.460 -0.223 1.00 0.00 H new ATOM 350 N SER A 24 32.155 21.438 -1.377 1.00 0.00 N ATOM 351 CA SER A 24 33.542 21.929 -1.419 1.00 0.00 C ATOM 352 C SER A 24 33.720 23.210 -2.262 1.00 0.00 C ATOM 353 O SER A 24 34.459 24.102 -1.836 1.00 0.00 O ATOM 354 CB SER A 24 34.512 20.823 -1.875 1.00 0.00 C ATOM 355 OG SER A 24 34.273 19.589 -1.205 1.00 0.00 O ATOM 0 H SER A 24 32.013 20.595 -1.934 1.00 0.00 H new ATOM 0 HA SER A 24 33.790 22.208 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.413 20.676 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.538 21.142 -1.690 1.00 0.00 H new ATOM 0 HG SER A 24 33.405 19.228 -1.483 1.00 0.00 H new ATOM 361 N ILE A 25 33.036 23.378 -3.412 1.00 0.00 N ATOM 362 CA ILE A 25 33.154 24.630 -4.189 1.00 0.00 C ATOM 363 C ILE A 25 32.458 25.794 -3.460 1.00 0.00 C ATOM 364 O ILE A 25 32.962 26.916 -3.436 1.00 0.00 O ATOM 365 CB ILE A 25 32.609 24.500 -5.624 1.00 0.00 C ATOM 366 CG1 ILE A 25 32.956 23.193 -6.365 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.111 25.689 -6.461 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.409 22.719 -6.357 1.00 0.00 C ATOM 0 H ILE A 25 32.410 22.681 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 25 34.220 24.841 -4.270 1.00 0.00 H new ATOM 0 HB ILE A 25 31.525 24.488 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.344 22.397 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.650 23.309 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 25 32.730 25.604 -7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 25 32.759 26.620 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.201 25.686 -6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.491 21.789 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.042 23.478 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.732 22.552 -5.329 1.00 0.00 H new ATOM 380 N VAL A 26 31.328 25.516 -2.807 1.00 0.00 N ATOM 381 CA VAL A 26 30.582 26.471 -1.982 1.00 0.00 C ATOM 382 C VAL A 26 31.411 26.846 -0.756 1.00 0.00 C ATOM 383 O VAL A 26 31.618 28.033 -0.552 1.00 0.00 O ATOM 384 CB VAL A 26 29.213 25.899 -1.577 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.449 26.853 -0.652 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.319 25.639 -2.805 1.00 0.00 C ATOM 0 H VAL A 26 30.893 24.594 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 26 30.395 27.372 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 26 29.426 24.964 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.487 26.412 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.030 27.024 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.286 27.802 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.361 25.235 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.155 26.574 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.808 24.923 -3.466 1.00 0.00 H new ATOM 396 N ASP A 27 31.991 25.899 -0.011 1.00 0.00 N ATOM 397 CA ASP A 27 32.947 26.214 1.063 1.00 0.00 C ATOM 398 C ASP A 27 34.103 27.101 0.569 1.00 0.00 C ATOM 399 O ASP A 27 34.441 28.100 1.207 1.00 0.00 O ATOM 400 CB ASP A 27 33.507 24.919 1.659 1.00 0.00 C ATOM 401 CG ASP A 27 34.658 25.210 2.636 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.420 25.866 3.678 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.799 24.767 2.355 1.00 0.00 O ATOM 0 H ASP A 27 31.815 24.901 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 27 32.407 26.772 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.713 24.381 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.861 24.270 0.858 1.00 0.00 H new ATOM 408 N SER A 28 34.654 26.799 -0.614 1.00 0.00 N ATOM 409 CA SER A 28 35.713 27.613 -1.234 1.00 0.00 C ATOM 410 C SER A 28 35.257 29.062 -1.487 1.00 0.00 C ATOM 411 O SER A 28 36.048 29.994 -1.343 1.00 0.00 O ATOM 412 CB SER A 28 36.214 26.976 -2.539 1.00 0.00 C ATOM 413 OG SER A 28 36.668 25.648 -2.327 1.00 0.00 O ATOM 0 H SER A 28 34.381 25.987 -1.168 1.00 0.00 H new ATOM 0 HA SER A 28 36.539 27.645 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.411 26.974 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.024 27.577 -2.951 1.00 0.00 H new ATOM 0 HG SER A 28 35.901 25.065 -2.146 1.00 0.00 H new ATOM 419 N ARG A 29 33.964 29.274 -1.780 1.00 0.00 N ATOM 420 CA ARG A 29 33.314 30.594 -1.897 1.00 0.00 C ATOM 421 C ARG A 29 32.951 31.221 -0.544 1.00 0.00 C ATOM 422 O ARG A 29 33.112 32.431 -0.389 1.00 0.00 O ATOM 423 CB ARG A 29 32.088 30.431 -2.812 1.00 0.00 C ATOM 424 CG ARG A 29 31.367 31.739 -3.152 1.00 0.00 C ATOM 425 CD ARG A 29 32.163 32.715 -4.018 1.00 0.00 C ATOM 426 NE ARG A 29 31.289 33.820 -4.472 1.00 0.00 N ATOM 427 CZ ARG A 29 31.526 34.665 -5.461 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.667 34.684 -6.088 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.622 35.519 -5.839 1.00 0.00 N ATOM 0 H ARG A 29 33.317 28.504 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 29 34.021 31.299 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.404 29.954 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.380 29.756 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.436 31.499 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.098 32.240 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.003 33.115 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.580 32.193 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 29 30.411 33.943 -3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.407 34.035 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.821 35.347 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.716 35.543 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.819 36.165 -6.603 1.00 0.00 H new ATOM 443 N LEU A 30 32.530 30.448 0.460 1.00 0.00 N ATOM 444 CA LEU A 30 32.288 30.974 1.813 1.00 0.00 C ATOM 445 C LEU A 30 33.595 31.462 2.479 1.00 0.00 C ATOM 446 O LEU A 30 33.591 32.469 3.184 1.00 0.00 O ATOM 447 CB LEU A 30 31.555 29.944 2.693 1.00 0.00 C ATOM 448 CG LEU A 30 30.186 29.454 2.182 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.556 28.479 3.183 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.182 30.588 1.931 1.00 0.00 C ATOM 0 H LEU A 30 32.348 29.449 0.364 1.00 0.00 H new ATOM 0 HA LEU A 30 31.636 31.842 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.204 29.077 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.414 30.379 3.682 1.00 0.00 H new ATOM 0 HG LEU A 30 30.391 28.966 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.590 28.144 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.212 27.619 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.417 28.980 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.242 30.169 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 30 29.007 31.131 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.584 31.270 1.182 1.00 0.00 H new ATOM 462 N ILE A 31 34.728 30.814 2.188 1.00 0.00 N ATOM 463 CA ILE A 31 36.074 31.283 2.565 1.00 0.00 C ATOM 464 C ILE A 31 36.522 32.454 1.663 1.00 0.00 C ATOM 465 O ILE A 31 37.149 33.405 2.135 1.00 0.00 O ATOM 466 CB ILE A 31 37.061 30.090 2.521 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.693 29.049 3.606 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.522 30.544 2.708 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.422 27.707 3.462 1.00 0.00 C ATOM 0 H ILE A 31 34.740 29.933 1.675 1.00 0.00 H new ATOM 0 HA ILE A 31 36.057 31.670 3.584 1.00 0.00 H new ATOM 0 HB ILE A 31 36.976 29.635 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.917 29.468 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.618 28.871 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.180 29.676 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.792 31.239 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.629 31.039 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.108 27.035 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.179 27.263 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.498 27.869 3.526 1.00 0.00 H new ATOM 481 N GLY A 32 36.180 32.404 0.369 1.00 0.00 N ATOM 482 CA GLY A 32 36.637 33.329 -0.671 1.00 0.00 C ATOM 483 C GLY A 32 36.040 34.727 -0.572 1.00 0.00 C ATOM 484 O GLY A 32 36.720 35.724 -0.822 1.00 0.00 O ATOM 0 H GLY A 32 35.551 31.688 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.723 33.406 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.392 32.910 -1.647 1.00 0.00 H new ATOM 488 N THR A 33 34.762 34.791 -0.193 1.00 0.00 N ATOM 489 CA THR A 33 34.026 36.051 0.022 1.00 0.00 C ATOM 490 C THR A 33 32.887 35.965 1.058 1.00 0.00 C ATOM 491 O THR A 33 32.595 36.965 1.719 1.00 0.00 O ATOM 492 CB THR A 33 33.513 36.576 -1.331 1.00 0.00 C ATOM 493 OG1 THR A 33 32.994 37.882 -1.220 1.00 0.00 O ATOM 494 CG2 THR A 33 32.429 35.683 -1.932 1.00 0.00 C ATOM 0 H THR A 33 34.196 33.960 -0.023 1.00 0.00 H new ATOM 0 HA THR A 33 34.735 36.755 0.459 1.00 0.00 H new ATOM 0 HB THR A 33 34.382 36.575 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.679 38.184 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 33 32.102 36.099 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.829 34.682 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.581 35.631 -1.249 1.00 0.00 H new ATOM 502 N GLY A 34 32.272 34.787 1.263 1.00 0.00 N ATOM 503 CA GLY A 34 31.241 34.578 2.300 1.00 0.00 C ATOM 504 C GLY A 34 29.796 34.455 1.817 1.00 0.00 C ATOM 505 O GLY A 34 28.878 34.410 2.636 1.00 0.00 O ATOM 0 H GLY A 34 32.475 33.951 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.493 33.673 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.295 35.408 3.005 1.00 0.00 H new ATOM 509 N SER A 35 29.583 34.366 0.504 1.00 0.00 N ATOM 510 CA SER A 35 28.272 34.176 -0.139 1.00 0.00 C ATOM 511 C SER A 35 28.458 33.606 -1.549 1.00 0.00 C ATOM 512 O SER A 35 29.330 34.075 -2.284 1.00 0.00 O ATOM 513 CB SER A 35 27.510 35.511 -0.224 1.00 0.00 C ATOM 514 OG SER A 35 28.278 36.534 -0.851 1.00 0.00 O ATOM 0 H SER A 35 30.345 34.426 -0.171 1.00 0.00 H new ATOM 0 HA SER A 35 27.693 33.477 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.584 35.363 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.232 35.832 0.780 1.00 0.00 H new ATOM 0 HG SER A 35 27.755 37.362 -0.885 1.00 0.00 H new ATOM 520 N VAL A 36 27.653 32.624 -1.959 1.00 0.00 N ATOM 521 CA VAL A 36 27.671 32.046 -3.320 1.00 0.00 C ATOM 522 C VAL A 36 26.463 32.535 -4.121 1.00 0.00 C ATOM 523 O VAL A 36 25.381 32.739 -3.566 1.00 0.00 O ATOM 524 CB VAL A 36 27.775 30.507 -3.251 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.501 29.843 -2.722 1.00 0.00 C ATOM 526 CG2 VAL A 36 28.096 29.887 -4.611 1.00 0.00 C ATOM 0 H VAL A 36 26.956 32.195 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 36 28.557 32.391 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 36 28.592 30.321 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.637 28.762 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.293 30.205 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.664 30.088 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.159 28.803 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.309 30.141 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 36 29.049 30.274 -4.971 1.00 0.00 H new ATOM 536 N ASP A 37 26.641 32.721 -5.428 1.00 0.00 N ATOM 537 CA ASP A 37 25.633 33.226 -6.362 1.00 0.00 C ATOM 538 C ASP A 37 25.505 32.265 -7.554 1.00 0.00 C ATOM 539 O ASP A 37 26.432 31.505 -7.837 1.00 0.00 O ATOM 540 CB ASP A 37 26.038 34.632 -6.846 1.00 0.00 C ATOM 541 CG ASP A 37 26.619 35.534 -5.737 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.857 35.507 -5.514 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.842 36.290 -5.106 1.00 0.00 O ATOM 0 H ASP A 37 27.529 32.515 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 37 24.668 33.291 -5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.775 34.532 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.165 35.122 -7.278 1.00 0.00 H new ATOM 548 N GLU A 38 24.386 32.307 -8.285 1.00 0.00 N ATOM 549 CA GLU A 38 24.115 31.371 -9.391 1.00 0.00 C ATOM 550 C GLU A 38 25.243 31.317 -10.439 1.00 0.00 C ATOM 551 O GLU A 38 25.626 30.240 -10.900 1.00 0.00 O ATOM 552 CB GLU A 38 22.793 31.771 -10.070 1.00 0.00 C ATOM 553 CG GLU A 38 22.113 30.577 -10.746 1.00 0.00 C ATOM 554 CD GLU A 38 21.095 31.015 -11.819 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.266 31.923 -11.560 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.133 30.458 -12.944 1.00 0.00 O ATOM 0 H GLU A 38 23.642 32.987 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 38 24.049 30.372 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.119 32.200 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.986 32.546 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.871 29.942 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.606 29.975 -9.992 1.00 0.00 H new ATOM 563 N ASP A 39 25.844 32.466 -10.761 1.00 0.00 N ATOM 564 CA ASP A 39 26.947 32.571 -11.723 1.00 0.00 C ATOM 565 C ASP A 39 28.275 31.967 -11.233 1.00 0.00 C ATOM 566 O ASP A 39 29.149 31.693 -12.055 1.00 0.00 O ATOM 567 CB ASP A 39 27.151 34.033 -12.142 1.00 0.00 C ATOM 568 CG ASP A 39 25.863 34.691 -12.652 1.00 0.00 C ATOM 569 OD1 ASP A 39 25.514 34.447 -13.833 1.00 0.00 O ATOM 570 OD2 ASP A 39 25.217 35.451 -11.892 1.00 0.00 O ATOM 0 H ASP A 39 25.575 33.362 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 39 26.648 31.972 -12.583 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.531 34.600 -11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.911 34.080 -12.922 1.00 0.00 H new ATOM 575 N PHE A 40 28.424 31.710 -9.926 1.00 0.00 N ATOM 576 CA PHE A 40 29.555 30.960 -9.365 1.00 0.00 C ATOM 577 C PHE A 40 29.288 29.441 -9.312 1.00 0.00 C ATOM 578 O PHE A 40 30.174 28.678 -8.942 1.00 0.00 O ATOM 579 CB PHE A 40 29.933 31.539 -7.990 1.00 0.00 C ATOM 580 CG PHE A 40 31.349 31.200 -7.551 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.426 31.971 -8.031 1.00 0.00 C ATOM 582 CD2 PHE A 40 31.607 30.101 -6.708 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.747 31.649 -7.670 1.00 0.00 C ATOM 584 CE2 PHE A 40 32.930 29.770 -6.361 1.00 0.00 C ATOM 585 CZ PHE A 40 34.000 30.544 -6.838 1.00 0.00 C ATOM 0 H PHE A 40 27.755 32.021 -9.221 1.00 0.00 H new ATOM 0 HA PHE A 40 30.408 31.079 -10.033 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.821 32.623 -8.019 1.00 0.00 H new ATOM 0 HB3 PHE A 40 29.232 31.166 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.237 32.814 -8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 40 30.787 29.511 -6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.567 32.251 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 40 33.123 28.918 -5.726 1.00 0.00 H new ATOM 0 HZ PHE A 40 35.014 30.291 -6.567 1.00 0.00 H new ATOM 595 N LEU A 41 28.085 28.979 -9.688 1.00 0.00 N ATOM 596 CA LEU A 41 27.678 27.563 -9.665 1.00 0.00 C ATOM 597 C LEU A 41 27.372 26.988 -11.055 1.00 0.00 C ATOM 598 O LEU A 41 27.698 25.828 -11.310 1.00 0.00 O ATOM 599 CB LEU A 41 26.487 27.419 -8.696 1.00 0.00 C ATOM 600 CG LEU A 41 26.887 27.563 -7.215 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.648 27.439 -6.330 1.00 0.00 C ATOM 602 CD2 LEU A 41 27.898 26.502 -6.765 1.00 0.00 C ATOM 0 H LEU A 41 27.347 29.597 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 41 28.519 26.967 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.737 28.172 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.021 26.445 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 41 27.352 28.544 -7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.936 27.542 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.936 28.223 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.186 26.464 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.142 26.654 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.467 25.510 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.805 26.587 -7.364 1.00 0.00 H new ATOM 614 N ARG A 42 26.826 27.775 -11.993 1.00 0.00 N ATOM 615 CA ARG A 42 26.537 27.291 -13.366 1.00 0.00 C ATOM 616 C ARG A 42 27.799 26.904 -14.158 1.00 0.00 C ATOM 617 O ARG A 42 27.733 26.078 -15.061 1.00 0.00 O ATOM 618 CB ARG A 42 25.654 28.308 -14.115 1.00 0.00 C ATOM 619 CG ARG A 42 26.307 29.668 -14.384 1.00 0.00 C ATOM 620 CD ARG A 42 25.275 30.604 -15.029 1.00 0.00 C ATOM 621 NE ARG A 42 25.789 31.972 -15.215 1.00 0.00 N ATOM 622 CZ ARG A 42 26.554 32.441 -16.183 1.00 0.00 C ATOM 623 NH1 ARG A 42 27.035 31.698 -17.141 1.00 0.00 N ATOM 624 NH2 ARG A 42 26.837 33.707 -16.177 1.00 0.00 N ATOM 0 H ARG A 42 26.573 28.750 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 42 25.978 26.360 -13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.355 27.872 -15.068 1.00 0.00 H new ATOM 0 HB3 ARG A 42 24.743 28.468 -13.538 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.675 30.099 -13.453 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.168 29.548 -15.042 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.976 30.198 -15.995 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.381 30.637 -14.406 1.00 0.00 H new ATOM 0 HE ARG A 42 25.517 32.647 -14.500 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.825 30.700 -17.167 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.622 32.115 -17.864 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.471 34.308 -15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.426 34.101 -16.911 1.00 0.00 H new ATOM 638 N GLU A 43 28.958 27.431 -13.759 1.00 0.00 N ATOM 639 CA GLU A 43 30.290 27.042 -14.266 1.00 0.00 C ATOM 640 C GLU A 43 30.944 25.880 -13.486 1.00 0.00 C ATOM 641 O GLU A 43 32.083 25.510 -13.772 1.00 0.00 O ATOM 642 CB GLU A 43 31.205 28.282 -14.314 1.00 0.00 C ATOM 643 CG GLU A 43 31.323 28.985 -12.954 1.00 0.00 C ATOM 644 CD GLU A 43 32.494 29.981 -12.898 1.00 0.00 C ATOM 645 OE1 GLU A 43 32.620 30.855 -13.790 1.00 0.00 O ATOM 646 OE2 GLU A 43 33.302 29.877 -11.944 1.00 0.00 O ATOM 0 H GLU A 43 29.005 28.164 -13.052 1.00 0.00 H new ATOM 0 HA GLU A 43 30.148 26.653 -15.274 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.198 27.983 -14.651 1.00 0.00 H new ATOM 0 HB3 GLU A 43 30.817 28.986 -15.050 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.393 29.512 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 43 31.451 28.236 -12.173 1.00 0.00 H new ATOM 653 N GLN A 44 30.259 25.299 -12.490 1.00 0.00 N ATOM 654 CA GLN A 44 30.788 24.268 -11.579 1.00 0.00 C ATOM 655 C GLN A 44 29.978 22.962 -11.625 1.00 0.00 C ATOM 656 O GLN A 44 30.468 21.940 -11.148 1.00 0.00 O ATOM 657 CB GLN A 44 30.802 24.795 -10.132 1.00 0.00 C ATOM 658 CG GLN A 44 31.544 26.124 -9.969 1.00 0.00 C ATOM 659 CD GLN A 44 33.027 26.061 -10.331 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.697 25.047 -10.190 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.609 27.143 -10.798 1.00 0.00 N ATOM 0 H GLN A 44 29.289 25.541 -12.288 1.00 0.00 H new ATOM 0 HA GLN A 44 31.801 24.046 -11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.775 24.918 -9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.266 24.049 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.061 26.876 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.447 26.457 -8.936 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.069 27.999 -10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.601 27.127 -11.035 1.00 0.00 H new ATOM 670 N ILE A 45 28.775 22.968 -12.229 1.00 0.00 N ATOM 671 CA ILE A 45 28.006 21.741 -12.491 1.00 0.00 C ATOM 672 C ILE A 45 28.824 20.750 -13.317 1.00 0.00 C ATOM 673 O ILE A 45 29.122 19.658 -12.835 1.00 0.00 O ATOM 674 CB ILE A 45 26.654 21.992 -13.202 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.601 23.222 -14.131 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.555 22.059 -12.152 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.415 23.186 -15.099 1.00 0.00 C ATOM 0 H ILE A 45 28.312 23.820 -12.547 1.00 0.00 H new ATOM 0 HA ILE A 45 27.785 21.326 -11.508 1.00 0.00 H new ATOM 0 HB ILE A 45 26.510 21.151 -13.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.542 24.126 -13.525 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.528 23.280 -14.702 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.596 22.236 -12.640 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.516 21.117 -11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.764 22.873 -11.458 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.431 24.077 -15.727 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.485 22.298 -15.727 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.484 23.157 -14.533 1.00 0.00 H new ATOM 735 N ARG A 49 22.678 18.524 -14.356 1.00 0.00 N ATOM 736 CA ARG A 49 21.755 19.446 -15.037 1.00 0.00 C ATOM 737 C ARG A 49 21.559 20.741 -14.238 1.00 0.00 C ATOM 738 O ARG A 49 21.719 21.829 -14.792 1.00 0.00 O ATOM 739 CB ARG A 49 20.429 18.723 -15.345 1.00 0.00 C ATOM 740 CG ARG A 49 19.699 19.306 -16.567 1.00 0.00 C ATOM 741 CD ARG A 49 20.332 18.862 -17.894 1.00 0.00 C ATOM 742 NE ARG A 49 19.576 19.390 -19.047 1.00 0.00 N ATOM 743 CZ ARG A 49 19.839 19.180 -20.324 1.00 0.00 C ATOM 744 NH1 ARG A 49 20.845 18.447 -20.714 1.00 0.00 N ATOM 745 NH2 ARG A 49 19.086 19.707 -21.248 1.00 0.00 N ATOM 0 HA ARG A 49 22.193 19.751 -15.988 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.629 17.666 -15.518 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.776 18.785 -14.474 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.654 18.996 -16.544 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.710 20.394 -16.508 1.00 0.00 H new ATOM 0 HD2 ARG A 49 21.364 19.209 -17.942 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.359 17.773 -17.941 1.00 0.00 H new ATOM 0 HE ARG A 49 18.769 19.976 -18.836 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.459 18.014 -20.024 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.018 18.306 -21.709 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.288 20.286 -20.987 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.295 19.541 -22.232 1.00 0.00 H new ATOM 759 N TYR A 50 21.263 20.622 -12.938 1.00 0.00 N ATOM 760 CA TYR A 50 20.918 21.734 -12.044 1.00 0.00 C ATOM 761 C TYR A 50 21.623 21.624 -10.676 1.00 0.00 C ATOM 762 O TYR A 50 21.771 20.522 -10.149 1.00 0.00 O ATOM 763 CB TYR A 50 19.390 21.734 -11.817 1.00 0.00 C ATOM 764 CG TYR A 50 18.500 21.383 -13.004 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.623 22.067 -14.229 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.512 20.387 -12.868 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.749 21.789 -15.296 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.648 20.089 -13.939 1.00 0.00 C ATOM 769 CZ TYR A 50 16.751 20.802 -15.149 1.00 0.00 C ATOM 770 OH TYR A 50 15.894 20.526 -16.169 1.00 0.00 O ATOM 0 H TYR A 50 21.257 19.719 -12.464 1.00 0.00 H new ATOM 0 HA TYR A 50 21.249 22.658 -12.517 1.00 0.00 H new ATOM 0 HB2 TYR A 50 19.170 21.032 -11.013 1.00 0.00 H new ATOM 0 HB3 TYR A 50 19.103 22.724 -11.463 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.395 22.812 -14.350 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.417 19.849 -11.936 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.842 22.330 -16.226 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.905 19.312 -13.832 1.00 0.00 H new ATOM 0 HH TYR A 50 15.274 19.819 -15.893 1.00 0.00 H new ATOM 780 N ALA A 51 22.013 22.750 -10.067 1.00 0.00 N ATOM 781 CA ALA A 51 22.487 22.809 -8.671 1.00 0.00 C ATOM 782 C ALA A 51 21.599 23.749 -7.828 1.00 0.00 C ATOM 783 O ALA A 51 21.030 24.698 -8.357 1.00 0.00 O ATOM 784 CB ALA A 51 23.973 23.192 -8.644 1.00 0.00 C ATOM 0 H ALA A 51 22.010 23.658 -10.531 1.00 0.00 H new ATOM 0 HA ALA A 51 22.401 21.825 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.319 23.234 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.551 22.446 -9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.106 24.168 -9.112 1.00 0.00 H new ATOM 790 N VAL A 52 21.441 23.495 -6.526 1.00 0.00 N ATOM 791 CA VAL A 52 20.518 24.239 -5.643 1.00 0.00 C ATOM 792 C VAL A 52 21.149 24.457 -4.267 1.00 0.00 C ATOM 793 O VAL A 52 21.824 23.574 -3.736 1.00 0.00 O ATOM 794 CB VAL A 52 19.153 23.518 -5.540 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.201 24.217 -4.561 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.451 23.423 -6.901 1.00 0.00 C ATOM 0 H VAL A 52 21.954 22.758 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 52 20.334 25.220 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 52 19.381 22.517 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.256 23.675 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.650 24.235 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.020 25.238 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.497 22.910 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.278 24.426 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.079 22.866 -7.596 1.00 0.00 H new ATOM 806 N ILE A 53 20.933 25.643 -3.688 1.00 0.00 N ATOM 807 CA ILE A 53 21.610 26.106 -2.467 1.00 0.00 C ATOM 808 C ILE A 53 20.677 26.273 -1.267 1.00 0.00 C ATOM 809 O ILE A 53 19.617 26.879 -1.361 1.00 0.00 O ATOM 810 CB ILE A 53 22.429 27.388 -2.789 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.903 27.038 -3.064 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.345 28.526 -1.739 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.625 26.398 -1.870 1.00 0.00 C ATOM 0 H ILE A 53 20.270 26.323 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 53 22.298 25.323 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 53 21.952 27.791 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.952 26.356 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.434 27.945 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 53 22.954 29.369 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.309 28.847 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.713 28.164 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.658 26.181 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.610 27.086 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.121 25.472 -1.594 1.00 0.00 H new ATOM 825 N ARG A 54 21.143 25.801 -0.110 1.00 0.00 N ATOM 826 CA ARG A 54 20.491 25.922 1.205 1.00 0.00 C ATOM 827 C ARG A 54 21.542 26.244 2.267 1.00 0.00 C ATOM 828 O ARG A 54 21.977 25.412 3.054 1.00 0.00 O ATOM 829 CB ARG A 54 19.763 24.601 1.443 1.00 0.00 C ATOM 830 CG ARG A 54 18.873 24.502 2.694 1.00 0.00 C ATOM 831 CD ARG A 54 17.633 25.403 2.649 1.00 0.00 C ATOM 832 NE ARG A 54 16.721 25.050 1.538 1.00 0.00 N ATOM 833 CZ ARG A 54 15.601 25.667 1.206 1.00 0.00 C ATOM 834 NH1 ARG A 54 15.170 26.714 1.852 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.883 25.237 0.209 1.00 0.00 N ATOM 0 H ARG A 54 22.029 25.298 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 54 19.768 26.737 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 54 19.143 24.396 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.510 23.809 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.554 23.467 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.466 24.761 3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.096 25.326 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.945 26.442 2.543 1.00 0.00 H new ATOM 0 HE ARG A 54 16.985 24.246 0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.702 27.081 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.301 27.166 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.184 24.419 -0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.019 25.718 -0.042 1.00 0.00 H new ATOM 849 N ILE A 55 21.984 27.487 2.237 1.00 0.00 N ATOM 850 CA ILE A 55 22.863 28.091 3.261 1.00 0.00 C ATOM 851 C ILE A 55 21.995 28.772 4.343 1.00 0.00 C ATOM 852 O ILE A 55 21.175 29.622 3.991 1.00 0.00 O ATOM 853 CB ILE A 55 23.849 29.082 2.595 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.883 28.335 1.726 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.607 29.938 3.627 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.432 29.182 0.581 1.00 0.00 C ATOM 0 H ILE A 55 21.744 28.134 1.486 1.00 0.00 H new ATOM 0 HA ILE A 55 23.460 27.319 3.746 1.00 0.00 H new ATOM 0 HB ILE A 55 23.241 29.739 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.710 28.009 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.422 27.437 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.285 30.616 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.894 30.516 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.179 29.288 4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.153 28.598 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.613 29.486 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.922 30.068 0.986 1.00 0.00 H new ATOM 868 N PRO A 56 22.169 28.462 5.644 1.00 0.00 N ATOM 869 CA PRO A 56 21.478 29.161 6.731 1.00 0.00 C ATOM 870 C PRO A 56 21.751 30.676 6.739 1.00 0.00 C ATOM 871 O PRO A 56 22.888 31.119 6.559 1.00 0.00 O ATOM 872 CB PRO A 56 21.953 28.492 8.026 1.00 0.00 C ATOM 873 CG PRO A 56 22.336 27.085 7.573 1.00 0.00 C ATOM 874 CD PRO A 56 22.910 27.329 6.180 1.00 0.00 C ATOM 0 HA PRO A 56 20.398 29.081 6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.801 29.019 8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.167 28.472 8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.069 26.630 8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.473 26.419 7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.977 27.546 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.792 26.449 5.548 1.00 0.00 H new ATOM 882 N GLY A 57 20.706 31.478 6.961 1.00 0.00 N ATOM 883 CA GLY A 57 20.779 32.944 7.030 1.00 0.00 C ATOM 884 C GLY A 57 20.685 33.673 5.681 1.00 0.00 C ATOM 885 O GLY A 57 20.693 34.907 5.666 1.00 0.00 O ATOM 0 H GLY A 57 19.762 31.119 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 57 19.975 33.301 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.718 33.222 7.509 1.00 0.00 H new ATOM 889 N GLN A 58 20.569 32.950 4.558 1.00 0.00 N ATOM 890 CA GLN A 58 20.365 33.519 3.215 1.00 0.00 C ATOM 891 C GLN A 58 19.291 32.745 2.409 1.00 0.00 C ATOM 892 O GLN A 58 19.024 31.578 2.718 1.00 0.00 O ATOM 893 CB GLN A 58 21.729 33.623 2.505 1.00 0.00 C ATOM 894 CG GLN A 58 22.248 32.318 1.904 1.00 0.00 C ATOM 895 CD GLN A 58 23.531 32.539 1.098 1.00 0.00 C ATOM 896 OE1 GLN A 58 24.523 33.083 1.561 1.00 0.00 O ATOM 897 NE2 GLN A 58 23.544 32.139 -0.155 1.00 0.00 N ATOM 0 H GLN A 58 20.615 31.931 4.556 1.00 0.00 H new ATOM 0 HA GLN A 58 19.958 34.527 3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 58 21.652 34.365 1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 58 22.465 33.994 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.438 31.600 2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.483 31.884 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.723 31.684 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 58 24.375 32.284 -0.728 1.00 0.00 H new ATOM 906 N PRO A 59 18.666 33.348 1.380 1.00 0.00 N ATOM 907 CA PRO A 59 17.651 32.675 0.566 1.00 0.00 C ATOM 908 C PRO A 59 18.246 31.593 -0.354 1.00 0.00 C ATOM 909 O PRO A 59 19.395 31.675 -0.798 1.00 0.00 O ATOM 910 CB PRO A 59 16.958 33.790 -0.227 1.00 0.00 C ATOM 911 CG PRO A 59 18.051 34.846 -0.369 1.00 0.00 C ATOM 912 CD PRO A 59 18.808 34.736 0.952 1.00 0.00 C ATOM 0 HA PRO A 59 16.946 32.131 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.610 33.437 -1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.088 34.179 0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.698 34.645 -1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.633 35.842 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.858 35.000 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.397 35.418 1.696 1.00 0.00 H new ATOM 920 N VAL A 60 17.430 30.584 -0.679 1.00 0.00 N ATOM 921 CA VAL A 60 17.733 29.550 -1.688 1.00 0.00 C ATOM 922 C VAL A 60 17.902 30.152 -3.088 1.00 0.00 C ATOM 923 O VAL A 60 17.096 30.974 -3.531 1.00 0.00 O ATOM 924 CB VAL A 60 16.675 28.416 -1.676 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.223 28.918 -1.639 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.775 27.457 -2.874 1.00 0.00 C ATOM 0 H VAL A 60 16.518 30.456 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 60 18.690 29.105 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 60 16.914 27.890 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.543 28.066 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.067 29.514 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.028 29.531 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.002 26.693 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 60 16.638 28.016 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.756 26.982 -2.879 1.00 0.00 H new ATOM 936 N VAL A 61 18.938 29.695 -3.799 1.00 0.00 N ATOM 937 CA VAL A 61 19.165 29.972 -5.226 1.00 0.00 C ATOM 938 C VAL A 61 19.251 28.668 -6.025 1.00 0.00 C ATOM 939 O VAL A 61 19.694 27.642 -5.503 1.00 0.00 O ATOM 940 CB VAL A 61 20.367 30.918 -5.406 1.00 0.00 C ATOM 941 CG1 VAL A 61 21.713 30.310 -5.009 1.00 0.00 C ATOM 942 CG2 VAL A 61 20.472 31.464 -6.834 1.00 0.00 C ATOM 0 H VAL A 61 19.663 29.106 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 61 18.310 30.505 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 61 20.158 31.734 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.504 31.043 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.687 30.025 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.908 29.428 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.335 32.125 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.589 30.636 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.567 32.020 -7.078 1.00 0.00 H new ATOM 952 N GLU A 62 18.792 28.696 -7.275 1.00 0.00 N ATOM 953 CA GLU A 62 18.657 27.529 -8.156 1.00 0.00 C ATOM 954 C GLU A 62 19.372 27.801 -9.492 1.00 0.00 C ATOM 955 O GLU A 62 19.099 28.795 -10.169 1.00 0.00 O ATOM 956 CB GLU A 62 17.167 27.207 -8.379 1.00 0.00 C ATOM 957 CG GLU A 62 16.400 26.913 -7.079 1.00 0.00 C ATOM 958 CD GLU A 62 14.904 26.654 -7.337 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.162 27.606 -7.683 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.432 25.507 -7.152 1.00 0.00 O ATOM 0 H GLU A 62 18.492 29.562 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 62 19.124 26.663 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.694 28.047 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.085 26.346 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.839 26.044 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.509 27.755 -6.395 1.00 0.00 H new ATOM 967 N VAL A 63 20.304 26.924 -9.864 1.00 0.00 N ATOM 968 CA VAL A 63 21.263 27.045 -10.966 1.00 0.00 C ATOM 969 C VAL A 63 20.814 26.170 -12.144 1.00 0.00 C ATOM 970 O VAL A 63 20.219 25.112 -11.932 1.00 0.00 O ATOM 971 CB VAL A 63 22.629 26.582 -10.426 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.782 26.797 -11.399 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.022 27.241 -9.092 1.00 0.00 C ATOM 0 H VAL A 63 20.418 26.042 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 63 21.327 28.072 -11.326 1.00 0.00 H new ATOM 0 HB VAL A 63 22.475 25.513 -10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.710 26.446 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.592 26.240 -12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.870 27.859 -11.630 1.00 0.00 H new ATOM 0 HG21 VAL A 63 23.995 26.866 -8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.074 28.322 -9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.276 27.002 -8.334 1.00 0.00 H new ATOM 983 N GLY A 64 21.110 26.549 -13.391 1.00 0.00 N ATOM 984 CA GLY A 64 20.625 25.825 -14.573 1.00 0.00 C ATOM 985 C GLY A 64 19.147 26.118 -14.849 1.00 0.00 C ATOM 986 O GLY A 64 18.820 27.092 -15.531 1.00 0.00 O ATOM 0 H GLY A 64 21.688 27.360 -13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.220 26.106 -15.442 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.762 24.754 -14.426 1.00 0.00 H new ATOM 990 N THR A 65 18.234 25.275 -14.355 1.00 0.00 N ATOM 991 CA THR A 65 16.767 25.477 -14.444 1.00 0.00 C ATOM 992 C THR A 65 16.064 24.715 -13.307 1.00 0.00 C ATOM 993 O THR A 65 16.618 23.768 -12.758 1.00 0.00 O ATOM 994 CB THR A 65 16.206 25.015 -15.811 1.00 0.00 C ATOM 995 OG1 THR A 65 16.992 25.497 -16.882 1.00 0.00 O ATOM 996 CG2 THR A 65 14.786 25.511 -16.099 1.00 0.00 C ATOM 0 H THR A 65 18.489 24.414 -13.871 1.00 0.00 H new ATOM 0 HA THR A 65 16.572 26.545 -14.347 1.00 0.00 H new ATOM 0 HB THR A 65 16.216 23.927 -15.740 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.613 25.187 -17.731 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.464 25.146 -17.074 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.108 25.140 -15.330 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.774 26.601 -16.098 1.00 0.00 H new ATOM 1004 N LYS A 66 14.843 25.103 -12.925 1.00 0.00 N ATOM 1005 CA LYS A 66 14.077 24.401 -11.882 1.00 0.00 C ATOM 1006 C LYS A 66 13.562 23.021 -12.363 1.00 0.00 C ATOM 1007 O LYS A 66 12.918 22.957 -13.416 1.00 0.00 O ATOM 1008 CB LYS A 66 12.945 25.317 -11.387 1.00 0.00 C ATOM 1009 CG LYS A 66 12.326 24.805 -10.080 1.00 0.00 C ATOM 1010 CD LYS A 66 11.202 25.732 -9.597 1.00 0.00 C ATOM 1011 CE LYS A 66 10.726 25.348 -8.190 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.655 25.837 -7.136 1.00 0.00 N ATOM 0 H LYS A 66 14.358 25.906 -13.325 1.00 0.00 H new ATOM 0 HA LYS A 66 14.737 24.182 -11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.333 26.324 -11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.172 25.385 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.932 23.800 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.097 24.734 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.555 26.763 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.364 25.683 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.732 25.761 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.637 24.264 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.373 25.444 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.624 25.534 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.618 26.876 -7.095 1.00 0.00 H new ATOM 1026 N PRO A 67 13.806 21.928 -11.611 1.00 0.00 N ATOM 1027 CA PRO A 67 13.399 20.569 -11.971 1.00 0.00 C ATOM 1028 C PRO A 67 11.916 20.256 -11.725 1.00 0.00 C ATOM 1029 O PRO A 67 11.259 20.834 -10.856 1.00 0.00 O ATOM 1030 CB PRO A 67 14.254 19.642 -11.115 1.00 0.00 C ATOM 1031 CG PRO A 67 14.577 20.468 -9.882 1.00 0.00 C ATOM 1032 CD PRO A 67 14.619 21.897 -10.407 1.00 0.00 C ATOM 0 HA PRO A 67 13.540 20.440 -13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.716 18.731 -10.854 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.160 19.338 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.818 20.347 -9.109 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.530 20.175 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.233 22.593 -9.663 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.644 22.198 -10.625 1.00 0.00 H new ATOM 1040 N THR A 68 11.415 19.272 -12.480 1.00 0.00 N ATOM 1041 CA THR A 68 9.967 18.953 -12.532 1.00 0.00 C ATOM 1042 C THR A 68 9.475 18.022 -11.408 1.00 0.00 C ATOM 1043 O THR A 68 8.277 17.971 -11.127 1.00 0.00 O ATOM 1044 CB THR A 68 9.619 18.409 -13.932 1.00 0.00 C ATOM 1045 OG1 THR A 68 8.224 18.342 -14.147 1.00 0.00 O ATOM 1046 CG2 THR A 68 10.223 17.029 -14.203 1.00 0.00 C ATOM 0 H THR A 68 11.990 18.673 -13.072 1.00 0.00 H new ATOM 0 HA THR A 68 9.427 19.883 -12.353 1.00 0.00 H new ATOM 0 HB THR A 68 10.059 19.124 -14.627 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.767 18.204 -13.291 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.943 16.699 -15.204 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.309 17.087 -14.130 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.848 16.317 -13.468 1.00 0.00 H new ATOM 1054 N GLY A 69 10.389 17.275 -10.777 1.00 0.00 N ATOM 1055 CA GLY A 69 10.111 16.276 -9.724 1.00 0.00 C ATOM 1056 C GLY A 69 10.503 14.849 -10.120 1.00 0.00 C ATOM 1057 O GLY A 69 10.967 14.065 -9.293 1.00 0.00 O ATOM 0 H GLY A 69 11.384 17.349 -10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.649 16.555 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.048 16.299 -9.483 1.00 0.00 H new ATOM 1061 N ASP A 70 10.402 14.551 -11.415 1.00 0.00 N ATOM 1062 CA ASP A 70 10.916 13.339 -12.065 1.00 0.00 C ATOM 1063 C ASP A 70 12.437 13.457 -12.295 1.00 0.00 C ATOM 1064 O ASP A 70 12.933 13.476 -13.425 1.00 0.00 O ATOM 1065 CB ASP A 70 10.119 13.055 -13.345 1.00 0.00 C ATOM 1066 CG ASP A 70 8.601 13.006 -13.106 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.099 11.955 -12.638 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.902 14.008 -13.397 1.00 0.00 O ATOM 0 H ASP A 70 9.938 15.176 -12.074 1.00 0.00 H new ATOM 0 HA ASP A 70 10.776 12.476 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.341 13.825 -14.084 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.446 12.105 -13.767 1.00 0.00 H new ATOM 1073 N VAL A 71 13.175 13.619 -11.193 1.00 0.00 N ATOM 1074 CA VAL A 71 14.604 13.950 -11.148 1.00 0.00 C ATOM 1075 C VAL A 71 15.333 13.156 -10.048 1.00 0.00 C ATOM 1076 O VAL A 71 14.736 12.742 -9.050 1.00 0.00 O ATOM 1077 CB VAL A 71 14.832 15.474 -10.996 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.267 16.276 -12.189 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.270 16.043 -9.689 1.00 0.00 C ATOM 0 H VAL A 71 12.773 13.518 -10.261 1.00 0.00 H new ATOM 0 HA VAL A 71 15.036 13.653 -12.104 1.00 0.00 H new ATOM 0 HB VAL A 71 15.916 15.589 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.453 17.339 -12.034 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.755 15.953 -13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.194 16.103 -12.268 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.463 17.115 -9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.195 15.866 -9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.751 15.553 -8.842 1.00 0.00 H new ATOM 1089 N LEU A 72 16.636 12.946 -10.231 1.00 0.00 N ATOM 1090 CA LEU A 72 17.575 12.345 -9.277 1.00 0.00 C ATOM 1091 C LEU A 72 18.120 13.436 -8.365 1.00 0.00 C ATOM 1092 O LEU A 72 18.463 14.505 -8.868 1.00 0.00 O ATOM 1093 CB LEU A 72 18.758 11.736 -10.051 1.00 0.00 C ATOM 1094 CG LEU A 72 18.343 10.553 -10.927 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.353 10.315 -12.048 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.230 9.284 -10.088 1.00 0.00 C ATOM 0 H LEU A 72 17.096 13.207 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 72 17.064 11.578 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.212 12.505 -10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.520 11.409 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 72 17.375 10.795 -11.366 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.031 9.468 -12.654 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.418 11.205 -12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.331 10.102 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.934 8.451 -10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.194 9.064 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.481 9.428 -9.309 1.00 0.00 H new ATOM 1108 N GLN A 73 18.250 13.188 -7.062 1.00 0.00 N ATOM 1109 CA GLN A 73 18.656 14.215 -6.092 1.00 0.00 C ATOM 1110 C GLN A 73 19.933 13.810 -5.340 1.00 0.00 C ATOM 1111 O GLN A 73 19.921 12.891 -4.524 1.00 0.00 O ATOM 1112 CB GLN A 73 17.494 14.461 -5.116 1.00 0.00 C ATOM 1113 CG GLN A 73 16.266 15.096 -5.795 1.00 0.00 C ATOM 1114 CD GLN A 73 15.272 15.672 -4.785 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.937 15.069 -3.771 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.768 16.863 -5.020 1.00 0.00 N ATOM 0 H GLN A 73 18.078 12.273 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 73 18.887 15.137 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.202 13.515 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.834 15.111 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.596 15.888 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.764 14.346 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.039 17.375 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.106 17.276 -4.363 1.00 0.00 H new ATOM 1125 N GLY A 74 21.036 14.509 -5.601 1.00 0.00 N ATOM 1126 CA GLY A 74 22.285 14.425 -4.841 1.00 0.00 C ATOM 1127 C GLY A 74 22.293 15.484 -3.746 1.00 0.00 C ATOM 1128 O GLY A 74 21.773 16.573 -3.971 1.00 0.00 O ATOM 0 H GLY A 74 21.088 15.173 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.388 13.433 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.137 14.569 -5.506 1.00 0.00 H new ATOM 1132 N ARG A 75 22.861 15.203 -2.571 1.00 0.00 N ATOM 1133 CA ARG A 75 22.736 16.061 -1.374 1.00 0.00 C ATOM 1134 C ARG A 75 23.948 15.949 -0.441 1.00 0.00 C ATOM 1135 O ARG A 75 24.418 14.848 -0.158 1.00 0.00 O ATOM 1136 CB ARG A 75 21.434 15.698 -0.633 1.00 0.00 C ATOM 1137 CG ARG A 75 21.099 16.679 0.503 1.00 0.00 C ATOM 1138 CD ARG A 75 19.755 16.323 1.149 1.00 0.00 C ATOM 1139 NE ARG A 75 19.474 17.183 2.316 1.00 0.00 N ATOM 1140 CZ ARG A 75 18.404 17.132 3.093 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.431 16.294 2.870 1.00 0.00 N ATOM 1142 NH2 ARG A 75 18.291 17.928 4.118 1.00 0.00 N ATOM 0 H ARG A 75 23.427 14.369 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 75 22.701 17.100 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.609 15.680 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.523 14.692 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.887 16.655 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.062 17.696 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.957 16.431 0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.764 15.278 1.459 1.00 0.00 H new ATOM 0 HE ARG A 75 20.175 17.887 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.481 15.653 2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.619 16.279 3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.031 18.598 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.462 17.881 4.711 1.00 0.00 H new ATOM 1156 N ALA A 76 24.427 17.096 0.044 1.00 0.00 N ATOM 1157 CA ALA A 76 25.621 17.204 0.885 1.00 0.00 C ATOM 1158 C ALA A 76 25.529 18.306 1.954 1.00 0.00 C ATOM 1159 O ALA A 76 24.707 19.220 1.863 1.00 0.00 O ATOM 1160 CB ALA A 76 26.814 17.427 -0.050 1.00 0.00 C ATOM 0 H ALA A 76 23.985 17.997 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 76 25.734 16.283 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.727 17.513 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.902 16.584 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.663 18.343 -0.621 1.00 0.00 H new ATOM 1166 N THR A 77 26.438 18.244 2.931 1.00 0.00 N ATOM 1167 CA THR A 77 26.630 19.257 3.984 1.00 0.00 C ATOM 1168 C THR A 77 28.037 19.846 3.845 1.00 0.00 C ATOM 1169 O THR A 77 29.015 19.106 3.720 1.00 0.00 O ATOM 1170 CB THR A 77 26.421 18.656 5.385 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.145 18.055 5.470 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.490 19.700 6.504 1.00 0.00 C ATOM 0 H THR A 77 27.086 17.461 3.018 1.00 0.00 H new ATOM 0 HA THR A 77 25.888 20.046 3.864 1.00 0.00 H new ATOM 0 HB THR A 77 27.227 17.934 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.022 17.674 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.335 19.213 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.469 20.180 6.494 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.716 20.451 6.349 1.00 0.00 H new ATOM 1180 N GLY A 78 28.137 21.176 3.826 1.00 0.00 N ATOM 1181 CA GLY A 78 29.398 21.905 3.665 1.00 0.00 C ATOM 1182 C GLY A 78 30.095 22.274 4.981 1.00 0.00 C ATOM 1183 O GLY A 78 29.577 22.049 6.079 1.00 0.00 O ATOM 0 H GLY A 78 27.328 21.790 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.078 21.300 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.205 22.819 3.103 1.00 0.00 H new ATOM 1187 N GLU A 79 31.306 22.817 4.863 1.00 0.00 N ATOM 1188 CA GLU A 79 32.214 23.034 5.994 1.00 0.00 C ATOM 1189 C GLU A 79 31.954 24.308 6.830 1.00 0.00 C ATOM 1190 O GLU A 79 32.527 24.416 7.918 1.00 0.00 O ATOM 1191 CB GLU A 79 33.675 22.903 5.532 1.00 0.00 C ATOM 1192 CG GLU A 79 34.038 21.443 5.225 1.00 0.00 C ATOM 1193 CD GLU A 79 35.527 21.287 4.862 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.395 21.412 5.762 1.00 0.00 O ATOM 1195 OE2 GLU A 79 35.842 20.994 3.683 1.00 0.00 O ATOM 0 H GLU A 79 31.691 23.123 3.969 1.00 0.00 H new ATOM 0 HA GLU A 79 31.995 22.240 6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.833 23.513 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.339 23.289 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.808 20.822 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.423 21.081 4.401 1.00 0.00 H new ATOM 1202 N GLU A 80 31.077 25.236 6.413 1.00 0.00 N ATOM 1203 CA GLU A 80 30.623 26.341 7.283 1.00 0.00 C ATOM 1204 C GLU A 80 29.249 26.037 7.912 1.00 0.00 C ATOM 1205 O GLU A 80 28.659 26.875 8.604 1.00 0.00 O ATOM 1206 CB GLU A 80 30.552 27.642 6.497 1.00 0.00 C ATOM 1207 CG GLU A 80 31.895 28.076 5.915 1.00 0.00 C ATOM 1208 CD GLU A 80 32.833 28.659 6.990 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.737 29.877 7.285 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.673 27.918 7.558 1.00 0.00 O ATOM 0 H GLU A 80 30.666 25.246 5.479 1.00 0.00 H new ATOM 0 HA GLU A 80 31.351 26.445 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.833 27.528 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.175 28.431 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.376 27.221 5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.728 28.821 5.137 1.00 0.00 H new ATOM 1217 N GLY A 81 28.736 24.827 7.678 1.00 0.00 N ATOM 1218 CA GLY A 81 27.468 24.301 8.194 1.00 0.00 C ATOM 1219 C GLY A 81 26.292 24.438 7.224 1.00 0.00 C ATOM 1220 O GLY A 81 25.137 24.345 7.642 1.00 0.00 O ATOM 0 H GLY A 81 29.221 24.149 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.599 23.248 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.223 24.819 9.121 1.00 0.00 H new ATOM 1224 N GLU A 82 26.553 24.678 5.938 1.00 0.00 N ATOM 1225 CA GLU A 82 25.559 24.819 4.881 1.00 0.00 C ATOM 1226 C GLU A 82 25.084 23.479 4.291 1.00 0.00 C ATOM 1227 O GLU A 82 25.643 22.420 4.576 1.00 0.00 O ATOM 1228 CB GLU A 82 26.117 25.756 3.799 1.00 0.00 C ATOM 1229 CG GLU A 82 27.152 25.190 2.806 1.00 0.00 C ATOM 1230 CD GLU A 82 28.620 25.202 3.287 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.882 25.101 4.508 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.517 25.230 2.413 1.00 0.00 O ATOM 0 H GLU A 82 27.507 24.784 5.593 1.00 0.00 H new ATOM 0 HA GLU A 82 24.662 25.254 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.274 26.136 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.570 26.611 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 82 26.876 24.163 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.088 25.760 1.879 1.00 0.00 H new ATOM 1239 N THR A 83 24.075 23.522 3.416 1.00 0.00 N ATOM 1240 CA THR A 83 23.507 22.361 2.709 1.00 0.00 C ATOM 1241 C THR A 83 23.494 22.618 1.197 1.00 0.00 C ATOM 1242 O THR A 83 23.154 23.707 0.733 1.00 0.00 O ATOM 1243 CB THR A 83 22.103 22.039 3.259 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.214 21.544 4.576 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.325 20.988 2.463 1.00 0.00 C ATOM 0 H THR A 83 23.612 24.396 3.169 1.00 0.00 H new ATOM 0 HA THR A 83 24.132 21.486 2.884 1.00 0.00 H new ATOM 0 HB THR A 83 21.557 22.980 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.321 21.341 4.926 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.351 20.829 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.188 21.335 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.881 20.051 2.457 1.00 0.00 H new ATOM 1253 N VAL A 84 23.868 21.598 0.425 1.00 0.00 N ATOM 1254 CA VAL A 84 23.961 21.624 -1.047 1.00 0.00 C ATOM 1255 C VAL A 84 23.110 20.514 -1.650 1.00 0.00 C ATOM 1256 O VAL A 84 23.091 19.398 -1.132 1.00 0.00 O ATOM 1257 CB VAL A 84 25.428 21.515 -1.508 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.586 21.463 -3.033 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.216 22.726 -1.001 1.00 0.00 C ATOM 0 H VAL A 84 24.126 20.692 0.817 1.00 0.00 H new ATOM 0 HA VAL A 84 23.575 22.580 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 84 25.806 20.579 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.643 21.387 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 84 25.055 20.595 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.172 22.370 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.253 22.648 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.777 23.640 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.180 22.754 0.088 1.00 0.00 H new ATOM 1269 N LEU A 85 22.448 20.806 -2.770 1.00 0.00 N ATOM 1270 CA LEU A 85 21.652 19.853 -3.541 1.00 0.00 C ATOM 1271 C LEU A 85 22.039 19.920 -5.035 1.00 0.00 C ATOM 1272 O LEU A 85 22.363 20.983 -5.563 1.00 0.00 O ATOM 1273 CB LEU A 85 20.161 20.149 -3.271 1.00 0.00 C ATOM 1274 CG LEU A 85 19.164 19.146 -3.888 1.00 0.00 C ATOM 1275 CD1 LEU A 85 19.006 17.894 -3.027 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.778 19.767 -4.014 1.00 0.00 C ATOM 0 H LEU A 85 22.452 21.741 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 85 21.850 18.826 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.003 20.176 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.931 21.144 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 85 19.571 18.882 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.295 17.215 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.971 17.397 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.639 18.175 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.092 19.041 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.418 20.057 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.831 20.648 -4.654 1.00 0.00 H new ATOM 1288 N VAL A 86 21.988 18.778 -5.716 1.00 0.00 N ATOM 1289 CA VAL A 86 22.233 18.618 -7.162 1.00 0.00 C ATOM 1290 C VAL A 86 21.097 17.811 -7.764 1.00 0.00 C ATOM 1291 O VAL A 86 20.659 16.839 -7.150 1.00 0.00 O ATOM 1292 CB VAL A 86 23.568 17.913 -7.462 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.840 17.898 -8.968 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.740 18.601 -6.754 1.00 0.00 C ATOM 0 H VAL A 86 21.765 17.893 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 86 22.286 19.614 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 86 23.482 16.892 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.788 17.396 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 86 23.037 17.366 -9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.889 18.922 -9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.666 18.076 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.813 19.635 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.576 18.583 -5.677 1.00 0.00 H new ATOM 1304 N GLU A 87 20.614 18.186 -8.949 1.00 0.00 N ATOM 1305 CA GLU A 87 19.463 17.530 -9.570 1.00 0.00 C ATOM 1306 C GLU A 87 19.690 17.226 -11.063 1.00 0.00 C ATOM 1307 O GLU A 87 20.133 18.082 -11.833 1.00 0.00 O ATOM 1308 CB GLU A 87 18.164 18.309 -9.266 1.00 0.00 C ATOM 1309 CG GLU A 87 17.944 18.445 -7.746 1.00 0.00 C ATOM 1310 CD GLU A 87 16.576 19.036 -7.370 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.589 18.265 -7.284 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.495 20.260 -7.110 1.00 0.00 O ATOM 0 H GLU A 87 21.006 18.948 -9.502 1.00 0.00 H new ATOM 0 HA GLU A 87 19.342 16.546 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.215 19.299 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.314 17.795 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.045 17.463 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.729 19.076 -7.329 1.00 0.00 H new ATOM 1319 N GLU A 88 19.390 15.983 -11.460 1.00 0.00 N ATOM 1320 CA GLU A 88 19.442 15.503 -12.856 1.00 0.00 C ATOM 1321 C GLU A 88 18.095 14.926 -13.330 1.00 0.00 C ATOM 1322 O GLU A 88 17.399 14.321 -12.518 1.00 0.00 O ATOM 1323 CB GLU A 88 20.514 14.416 -13.051 1.00 0.00 C ATOM 1324 CG GLU A 88 21.917 14.779 -12.564 1.00 0.00 C ATOM 1325 CD GLU A 88 22.967 13.909 -13.286 1.00 0.00 C ATOM 1326 OE1 GLU A 88 23.405 14.304 -14.393 1.00 0.00 O ATOM 1327 OE2 GLU A 88 23.348 12.824 -12.782 1.00 0.00 O ATOM 0 H GLU A 88 19.096 15.259 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 88 19.690 16.383 -13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.190 13.514 -12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.569 14.171 -14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.115 15.834 -12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 88 21.987 14.629 -11.487 1.00 0.00 H new ATOM 1334 N PRO A 89 17.723 15.019 -14.621 1.00 0.00 N ATOM 1335 CA PRO A 89 16.553 14.315 -15.158 1.00 0.00 C ATOM 1336 C PRO A 89 16.644 12.790 -14.943 1.00 0.00 C ATOM 1337 O PRO A 89 17.686 12.174 -15.196 1.00 0.00 O ATOM 1338 CB PRO A 89 16.500 14.682 -16.645 1.00 0.00 C ATOM 1339 CG PRO A 89 17.948 15.043 -16.979 1.00 0.00 C ATOM 1340 CD PRO A 89 18.432 15.701 -15.693 1.00 0.00 C ATOM 0 HA PRO A 89 15.641 14.614 -14.642 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.145 13.849 -17.251 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.826 15.519 -16.827 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.538 14.161 -17.230 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.011 15.721 -17.830 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.511 15.596 -15.580 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.214 16.769 -15.692 1.00 0.00 H new ATOM 1348 N ARG A 90 15.538 12.186 -14.480 1.00 0.00 N ATOM 1349 CA ARG A 90 15.423 10.746 -14.183 1.00 0.00 C ATOM 1350 C ARG A 90 15.150 9.903 -15.439 1.00 0.00 C ATOM 1351 O ARG A 90 14.222 10.238 -16.213 1.00 0.00 O ATOM 1352 CB ARG A 90 14.371 10.530 -13.081 1.00 0.00 C ATOM 1353 CG ARG A 90 14.370 9.095 -12.537 1.00 0.00 C ATOM 1354 CD ARG A 90 13.401 8.962 -11.355 1.00 0.00 C ATOM 1355 NE ARG A 90 13.412 7.597 -10.795 1.00 0.00 N ATOM 1356 CZ ARG A 90 12.728 6.548 -11.217 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.922 6.602 -12.239 1.00 0.00 N ATOM 1358 NH2 ARG A 90 12.847 5.406 -10.607 1.00 0.00 N ATOM 1359 OXT ARG A 90 15.869 8.899 -15.645 1.00 0.00 O ATOM 0 H ARG A 90 14.675 12.698 -14.296 1.00 0.00 H new ATOM 0 HA ARG A 90 16.385 10.393 -13.812 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.560 11.224 -12.262 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.383 10.765 -13.476 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.084 8.402 -13.328 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.376 8.820 -12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.673 9.677 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.392 9.214 -11.681 1.00 0.00 H new ATOM 0 HE ARG A 90 14.018 7.445 -9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.800 7.478 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.413 5.768 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.468 5.320 -9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.319 4.596 -10.933 1.00 0.00 H new