USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 763 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 12 SER OG : rot -26:sc= 0.133 USER MOD Single : A 14 TYR OH : rot 21:sc= 0.145 USER MOD Single : A 15 HIS : no HD1:sc= 0.532 K(o=0.53,f=-1.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -40:sc= 0.0348 USER MOD Single : A 41 SER OG : rot 180:sc= 0.284 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.78) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 60 THR OG1 : rot -130:sc= 0.0981 USER MOD Single : A 61 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 74 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.2) USER MOD Single : A 75 THR OG1 : rot -151:sc= 0.147 USER MOD Single : A 76 SER OG : rot 180:sc= -0.264 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 85 GLN : amide:sc= -0.795 X(o=-0.8,f=-0.77) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 94 TYR OH : rot -90:sc= -1.37 USER MOD Single : A 96 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.048) USER MOD Single : A 98 ASN : amide:sc= 0.266 K(o=0.27,f=-3.9!) USER MOD Single : A 99 GLN : amide:sc= -0.906 K(o=-0.91,f=-0.019) USER MOD Single : A 103 CYS SG : rot -165:sc= -1.79! USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -0.313 -3.751 -13.531 1.00 0.00 N ATOM 182 CA SER A 12 0.044 -4.375 -12.241 1.00 0.00 C ATOM 183 C SER A 12 -0.566 -3.536 -11.099 1.00 0.00 C ATOM 184 O SER A 12 -1.434 -2.681 -11.336 1.00 0.00 O ATOM 185 CB SER A 12 1.589 -4.460 -12.111 1.00 0.00 C ATOM 186 OG SER A 12 2.204 -3.182 -12.257 1.00 0.00 O ATOM 0 HA SER A 12 -0.354 -5.388 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.849 -4.880 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.980 -5.140 -12.867 1.00 0.00 H new ATOM 0 HG SER A 12 1.628 -2.601 -12.796 1.00 0.00 H new ATOM 192 N TRP A 13 -0.134 -3.752 -9.855 1.00 0.00 N ATOM 193 CA TRP A 13 -0.518 -2.888 -8.724 1.00 0.00 C ATOM 194 C TRP A 13 0.410 -1.664 -8.644 1.00 0.00 C ATOM 195 O TRP A 13 0.227 -0.822 -7.786 1.00 0.00 O ATOM 196 CB TRP A 13 -0.497 -3.697 -7.379 1.00 0.00 C ATOM 197 CG TRP A 13 0.538 -4.817 -7.328 1.00 0.00 C ATOM 198 CD1 TRP A 13 0.293 -6.157 -7.451 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.966 -4.694 -7.198 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.459 -6.862 -7.400 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.498 -5.997 -7.250 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.844 -3.618 -7.051 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.864 -6.250 -7.165 1.00 0.00 C ATOM 204 CZ3 TRP A 13 4.197 -3.868 -6.953 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.695 -5.176 -7.023 1.00 0.00 C ATOM 0 H TRP A 13 0.486 -4.521 -9.599 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.536 -2.533 -8.888 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.306 -3.006 -6.558 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.485 -4.125 -7.212 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.687 -6.595 -7.572 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.539 -7.877 -7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.469 -2.606 -7.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.252 -7.257 -7.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.882 -3.044 -6.820 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.761 -5.338 -6.963 1.00 0.00 H new ATOM 216 N TYR A 14 1.382 -1.534 -9.569 1.00 0.00 N ATOM 217 CA TYR A 14 2.359 -0.431 -9.527 1.00 0.00 C ATOM 218 C TYR A 14 2.078 0.506 -10.703 1.00 0.00 C ATOM 219 O TYR A 14 2.261 0.128 -11.867 1.00 0.00 O ATOM 220 CB TYR A 14 3.834 -0.925 -9.547 1.00 0.00 C ATOM 221 CG TYR A 14 4.849 0.238 -9.416 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.147 0.793 -8.169 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.456 0.811 -10.536 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.011 1.865 -8.045 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.326 1.873 -10.414 1.00 0.00 C ATOM 226 CZ TYR A 14 6.595 2.401 -9.170 1.00 0.00 C ATOM 227 OH TYR A 14 7.448 3.477 -9.063 1.00 0.00 O ATOM 0 H TYR A 14 1.510 -2.177 -10.350 1.00 0.00 H new ATOM 0 HA TYR A 14 2.240 0.098 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.988 -1.632 -8.732 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.021 -1.464 -10.476 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.693 0.375 -7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.239 0.414 -11.517 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.226 2.279 -7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.796 2.291 -11.292 1.00 0.00 H new ATOM 0 HH TYR A 14 7.800 3.526 -8.150 1.00 0.00 H new ATOM 237 N HIS A 15 1.608 1.715 -10.391 1.00 0.00 N ATOM 238 CA HIS A 15 1.342 2.767 -11.374 1.00 0.00 C ATOM 239 C HIS A 15 2.251 3.953 -11.009 1.00 0.00 C ATOM 240 O HIS A 15 2.072 4.529 -9.933 1.00 0.00 O ATOM 241 CB HIS A 15 -0.163 3.166 -11.333 1.00 0.00 C ATOM 242 CG HIS A 15 -1.122 1.988 -11.348 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.490 1.320 -12.495 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.773 1.360 -10.335 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.321 0.340 -12.191 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.508 0.345 -10.890 1.00 0.00 N ATOM 0 H HIS A 15 1.398 1.995 -9.433 1.00 0.00 H new ATOM 0 HA HIS A 15 1.552 2.432 -12.390 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.346 3.757 -10.436 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.380 3.807 -12.187 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.721 1.613 -9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.770 -0.348 -12.892 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.105 -0.303 -10.376 1.00 0.00 H new ATOM 255 N ARG A 16 3.213 4.284 -11.907 1.00 0.00 N ATOM 256 CA ARG A 16 4.298 5.293 -11.689 1.00 0.00 C ATOM 257 C ARG A 16 3.830 6.554 -10.936 1.00 0.00 C ATOM 258 O ARG A 16 4.423 6.958 -9.933 1.00 0.00 O ATOM 259 CB ARG A 16 4.884 5.706 -13.063 1.00 0.00 C ATOM 260 CG ARG A 16 5.963 6.818 -13.011 1.00 0.00 C ATOM 261 CD ARG A 16 6.540 7.141 -14.399 1.00 0.00 C ATOM 262 NE ARG A 16 7.086 5.939 -15.056 1.00 0.00 N ATOM 263 CZ ARG A 16 8.312 5.434 -14.860 1.00 0.00 C ATOM 264 NH1 ARG A 16 9.196 6.057 -14.086 1.00 0.00 N ATOM 265 NH2 ARG A 16 8.651 4.306 -15.463 1.00 0.00 N ATOM 0 H ARG A 16 3.263 3.849 -12.828 1.00 0.00 H new ATOM 0 HA ARG A 16 5.050 4.818 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.316 4.824 -13.536 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.068 6.043 -13.702 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.529 7.721 -12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.770 6.506 -12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.761 7.576 -15.025 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.325 7.891 -14.301 1.00 0.00 H new ATOM 0 HE ARG A 16 6.480 5.451 -15.715 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.946 6.934 -13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.124 5.658 -13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.982 3.831 -16.069 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.581 3.912 -15.322 1.00 0.00 H new ATOM 279 N ASP A 17 2.721 7.122 -11.409 1.00 0.00 N ATOM 280 CA ASP A 17 2.128 8.317 -10.814 1.00 0.00 C ATOM 281 C ASP A 17 0.655 8.362 -11.184 1.00 0.00 C ATOM 282 O ASP A 17 0.220 9.099 -12.076 1.00 0.00 O ATOM 283 CB ASP A 17 2.875 9.621 -11.212 1.00 0.00 C ATOM 284 CG ASP A 17 2.295 10.871 -10.522 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.240 10.894 -9.270 1.00 0.00 O ATOM 286 OD2 ASP A 17 1.887 11.830 -11.216 1.00 0.00 O ATOM 0 H ASP A 17 2.209 6.766 -12.216 1.00 0.00 H new ATOM 0 HA ASP A 17 2.227 8.257 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.930 9.524 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.822 9.750 -12.293 1.00 0.00 H new ATOM 291 N LEU A 18 -0.078 7.432 -10.574 1.00 0.00 N ATOM 292 CA LEU A 18 -1.538 7.491 -10.531 1.00 0.00 C ATOM 293 C LEU A 18 -1.981 8.733 -9.716 1.00 0.00 C ATOM 294 O LEU A 18 -3.032 9.306 -9.999 1.00 0.00 O ATOM 295 CB LEU A 18 -2.120 6.173 -9.952 1.00 0.00 C ATOM 296 CG LEU A 18 -3.679 6.069 -9.861 1.00 0.00 C ATOM 297 CD1 LEU A 18 -4.388 6.447 -11.183 1.00 0.00 C ATOM 298 CD2 LEU A 18 -4.100 4.667 -9.405 1.00 0.00 C ATOM 0 H LEU A 18 0.320 6.622 -10.099 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.931 7.593 -11.542 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.760 5.345 -10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.711 6.032 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.997 6.799 -9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.467 6.355 -11.056 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.140 7.475 -11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.058 5.778 -11.977 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.187 4.614 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.738 3.928 -10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.675 4.461 -8.423 1.00 0.00 H new ATOM 310 N SER A 19 -1.147 9.093 -8.698 1.00 0.00 N ATOM 311 CA SER A 19 -1.313 10.278 -7.804 1.00 0.00 C ATOM 312 C SER A 19 -2.179 9.857 -6.622 1.00 0.00 C ATOM 313 O SER A 19 -3.104 9.101 -6.822 1.00 0.00 O ATOM 314 CB SER A 19 -1.886 11.550 -8.496 1.00 0.00 C ATOM 315 OG SER A 19 -2.034 12.628 -7.579 1.00 0.00 O ATOM 0 H SER A 19 -0.315 8.549 -8.470 1.00 0.00 H new ATOM 0 HA SER A 19 -0.318 10.583 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.224 11.852 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.853 11.317 -8.942 1.00 0.00 H new ATOM 0 HG SER A 19 -2.394 13.409 -8.048 1.00 0.00 H new ATOM 321 N ARG A 20 -1.882 10.343 -5.402 1.00 0.00 N ATOM 322 CA ARG A 20 -2.493 9.826 -4.148 1.00 0.00 C ATOM 323 C ARG A 20 -4.034 9.999 -4.136 1.00 0.00 C ATOM 324 O ARG A 20 -4.771 9.084 -3.735 1.00 0.00 O ATOM 325 CB ARG A 20 -1.876 10.529 -2.904 1.00 0.00 C ATOM 326 CG ARG A 20 -2.368 9.972 -1.547 1.00 0.00 C ATOM 327 CD ARG A 20 -1.921 10.813 -0.340 1.00 0.00 C ATOM 328 NE ARG A 20 -2.407 10.234 0.923 1.00 0.00 N ATOM 329 CZ ARG A 20 -3.498 10.628 1.615 1.00 0.00 C ATOM 330 NH1 ARG A 20 -4.263 11.635 1.203 1.00 0.00 N ATOM 331 NH2 ARG A 20 -3.843 9.976 2.709 1.00 0.00 N ATOM 0 H ARG A 20 -1.216 11.101 -5.251 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.274 8.759 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.791 10.436 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.107 11.593 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.457 9.918 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.999 8.953 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.833 10.875 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.296 11.831 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.868 9.461 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.032 12.132 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.081 11.910 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.287 9.181 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.665 10.267 3.238 1.00 0.00 H new ATOM 345 N ALA A 21 -4.494 11.177 -4.584 1.00 0.00 N ATOM 346 CA ALA A 21 -5.931 11.519 -4.654 1.00 0.00 C ATOM 347 C ALA A 21 -6.675 10.643 -5.674 1.00 0.00 C ATOM 348 O ALA A 21 -7.738 10.083 -5.376 1.00 0.00 O ATOM 349 CB ALA A 21 -6.090 13.007 -4.990 1.00 0.00 C ATOM 0 H ALA A 21 -3.881 11.925 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.379 11.322 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.150 13.257 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.612 13.608 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.621 13.215 -5.952 1.00 0.00 H new ATOM 355 N ALA A 22 -6.096 10.526 -6.876 1.00 0.00 N ATOM 356 CA ALA A 22 -6.656 9.690 -7.953 1.00 0.00 C ATOM 357 C ALA A 22 -6.473 8.192 -7.651 1.00 0.00 C ATOM 358 O ALA A 22 -7.212 7.372 -8.166 1.00 0.00 O ATOM 359 CB ALA A 22 -6.025 10.054 -9.297 1.00 0.00 C ATOM 0 H ALA A 22 -5.232 11.004 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.727 9.887 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.450 9.427 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.226 11.101 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.948 9.894 -9.249 1.00 0.00 H new ATOM 365 N ALA A 23 -5.491 7.857 -6.794 1.00 0.00 N ATOM 366 CA ALA A 23 -5.233 6.473 -6.358 1.00 0.00 C ATOM 367 C ALA A 23 -6.403 6.014 -5.502 1.00 0.00 C ATOM 368 O ALA A 23 -7.001 4.982 -5.767 1.00 0.00 O ATOM 369 CB ALA A 23 -3.909 6.365 -5.575 1.00 0.00 C ATOM 0 H ALA A 23 -4.853 8.540 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.136 5.832 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.751 5.331 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.083 6.686 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.956 7.002 -4.692 1.00 0.00 H new ATOM 375 N GLU A 24 -6.743 6.868 -4.527 1.00 0.00 N ATOM 376 CA GLU A 24 -7.900 6.710 -3.628 1.00 0.00 C ATOM 377 C GLU A 24 -9.212 6.533 -4.427 1.00 0.00 C ATOM 378 O GLU A 24 -10.064 5.710 -4.074 1.00 0.00 O ATOM 379 CB GLU A 24 -7.994 7.972 -2.729 1.00 0.00 C ATOM 380 CG GLU A 24 -9.175 7.993 -1.749 1.00 0.00 C ATOM 381 CD GLU A 24 -9.257 9.285 -0.918 1.00 0.00 C ATOM 382 OE1 GLU A 24 -8.510 9.413 0.075 1.00 0.00 O ATOM 383 OE2 GLU A 24 -10.064 10.180 -1.254 1.00 0.00 O ATOM 0 H GLU A 24 -6.206 7.714 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.762 5.816 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.069 8.062 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.060 8.851 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.103 7.870 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.093 7.141 -1.075 1.00 0.00 H new ATOM 390 N GLU A 25 -9.336 7.324 -5.501 1.00 0.00 N ATOM 391 CA GLU A 25 -10.535 7.349 -6.362 1.00 0.00 C ATOM 392 C GLU A 25 -10.659 6.022 -7.157 1.00 0.00 C ATOM 393 O GLU A 25 -11.720 5.393 -7.155 1.00 0.00 O ATOM 394 CB GLU A 25 -10.487 8.598 -7.308 1.00 0.00 C ATOM 395 CG GLU A 25 -11.856 9.264 -7.601 1.00 0.00 C ATOM 396 CD GLU A 25 -12.884 8.366 -8.317 1.00 0.00 C ATOM 397 OE1 GLU A 25 -12.689 8.064 -9.516 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.891 7.959 -7.694 1.00 0.00 O ATOM 0 H GLU A 25 -8.606 7.969 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.426 7.437 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.827 9.343 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.038 8.298 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.287 9.601 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.687 10.152 -8.210 1.00 0.00 H new ATOM 405 N LEU A 26 -9.563 5.615 -7.828 1.00 0.00 N ATOM 406 CA LEU A 26 -9.473 4.332 -8.581 1.00 0.00 C ATOM 407 C LEU A 26 -9.679 3.104 -7.657 1.00 0.00 C ATOM 408 O LEU A 26 -10.240 2.089 -8.092 1.00 0.00 O ATOM 409 CB LEU A 26 -8.106 4.224 -9.346 1.00 0.00 C ATOM 410 CG LEU A 26 -8.044 4.807 -10.805 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.986 4.051 -11.755 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.322 6.320 -10.847 1.00 0.00 C ATOM 0 H LEU A 26 -8.705 6.166 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.281 4.332 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.346 4.728 -8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.828 3.171 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.021 4.659 -11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.917 4.481 -12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.699 3.000 -11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.011 4.135 -11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.267 6.672 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.317 6.518 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.579 6.843 -10.245 1.00 0.00 H new ATOM 424 N LEU A 27 -9.216 3.208 -6.394 1.00 0.00 N ATOM 425 CA LEU A 27 -9.431 2.169 -5.369 1.00 0.00 C ATOM 426 C LEU A 27 -10.926 2.050 -5.061 1.00 0.00 C ATOM 427 O LEU A 27 -11.487 0.976 -5.156 1.00 0.00 O ATOM 428 CB LEU A 27 -8.644 2.479 -4.060 1.00 0.00 C ATOM 429 CG LEU A 27 -7.086 2.375 -4.136 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.429 2.727 -2.785 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.633 0.996 -4.646 1.00 0.00 C ATOM 0 H LEU A 27 -8.685 4.012 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.058 1.224 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.902 3.488 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.993 1.798 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.747 3.113 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.346 2.644 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.693 3.747 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.783 2.039 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.544 0.962 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.996 0.221 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.037 0.826 -5.644 1.00 0.00 H new ATOM 443 N ALA A 28 -11.548 3.194 -4.738 1.00 0.00 N ATOM 444 CA ALA A 28 -12.967 3.281 -4.325 1.00 0.00 C ATOM 445 C ALA A 28 -13.913 2.792 -5.423 1.00 0.00 C ATOM 446 O ALA A 28 -14.858 2.045 -5.161 1.00 0.00 O ATOM 447 CB ALA A 28 -13.301 4.722 -3.912 1.00 0.00 C ATOM 0 H ALA A 28 -11.078 4.099 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.111 2.622 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.346 4.781 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.664 5.018 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.130 5.391 -4.755 1.00 0.00 H new ATOM 453 N ARG A 29 -13.611 3.193 -6.657 1.00 0.00 N ATOM 454 CA ARG A 29 -14.452 2.913 -7.816 1.00 0.00 C ATOM 455 C ARG A 29 -14.427 1.408 -8.164 1.00 0.00 C ATOM 456 O ARG A 29 -15.472 0.820 -8.461 1.00 0.00 O ATOM 457 CB ARG A 29 -13.982 3.793 -9.004 1.00 0.00 C ATOM 458 CG ARG A 29 -14.847 3.677 -10.272 1.00 0.00 C ATOM 459 CD ARG A 29 -14.487 4.706 -11.354 1.00 0.00 C ATOM 460 NE ARG A 29 -15.293 4.497 -12.574 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.801 5.457 -13.354 1.00 0.00 C ATOM 462 NH1 ARG A 29 -15.643 6.749 -13.056 1.00 0.00 N ATOM 463 NH2 ARG A 29 -16.484 5.115 -14.435 1.00 0.00 N ATOM 0 H ARG A 29 -12.770 3.725 -6.880 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.488 3.162 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.969 4.835 -8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.956 3.523 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.740 2.674 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.895 3.799 -10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.653 5.713 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.427 4.628 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.479 3.532 -12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.126 7.020 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.039 7.465 -13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.617 4.130 -14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.877 5.837 -15.039 1.00 0.00 H new ATOM 477 N ALA A 30 -13.230 0.792 -8.089 1.00 0.00 N ATOM 478 CA ALA A 30 -13.036 -0.622 -8.469 1.00 0.00 C ATOM 479 C ALA A 30 -13.260 -1.609 -7.294 1.00 0.00 C ATOM 480 O ALA A 30 -14.199 -2.412 -7.323 1.00 0.00 O ATOM 481 CB ALA A 30 -11.630 -0.805 -9.062 1.00 0.00 C ATOM 0 H ALA A 30 -12.380 1.254 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.794 -0.861 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.486 -1.848 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.522 -0.174 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.883 -0.523 -8.320 1.00 0.00 H new ATOM 487 N GLY A 31 -12.427 -1.505 -6.239 1.00 0.00 N ATOM 488 CA GLY A 31 -12.327 -2.538 -5.194 1.00 0.00 C ATOM 489 C GLY A 31 -13.049 -2.174 -3.889 1.00 0.00 C ATOM 490 O GLY A 31 -13.614 -3.037 -3.225 1.00 0.00 O ATOM 0 H GLY A 31 -11.809 -0.707 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.740 -3.471 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.275 -2.721 -4.977 1.00 0.00 H new ATOM 494 N ARG A 32 -12.952 -0.882 -3.527 1.00 0.00 N ATOM 495 CA ARG A 32 -13.553 -0.211 -2.327 1.00 0.00 C ATOM 496 C ARG A 32 -13.295 -0.899 -0.948 1.00 0.00 C ATOM 497 O ARG A 32 -13.852 -0.444 0.061 1.00 0.00 O ATOM 498 CB ARG A 32 -15.088 0.125 -2.499 1.00 0.00 C ATOM 499 CG ARG A 32 -16.085 -1.077 -2.514 1.00 0.00 C ATOM 500 CD ARG A 32 -16.504 -1.529 -3.931 1.00 0.00 C ATOM 501 NE ARG A 32 -17.326 -0.523 -4.615 1.00 0.00 N ATOM 502 CZ ARG A 32 -17.638 -0.530 -5.923 1.00 0.00 C ATOM 503 NH1 ARG A 32 -17.124 -1.434 -6.759 1.00 0.00 N ATOM 504 NH2 ARG A 32 -18.454 0.397 -6.381 1.00 0.00 N ATOM 0 H ARG A 32 -12.419 -0.222 -4.093 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.992 0.723 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.380 0.796 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.211 0.677 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.629 -1.920 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.978 -0.802 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.612 -1.731 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.060 -2.464 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.691 0.245 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.478 -2.142 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.377 -1.417 -7.747 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.835 1.100 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.705 0.412 -7.369 1.00 0.00 H new ATOM 518 N ASP A 33 -12.362 -1.871 -0.863 1.00 0.00 N ATOM 519 CA ASP A 33 -12.227 -2.793 0.304 1.00 0.00 C ATOM 520 C ASP A 33 -10.973 -3.651 0.085 1.00 0.00 C ATOM 521 O ASP A 33 -10.884 -4.367 -0.920 1.00 0.00 O ATOM 522 CB ASP A 33 -13.471 -3.728 0.505 1.00 0.00 C ATOM 523 CG ASP A 33 -14.591 -3.104 1.363 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.341 -2.828 2.559 1.00 0.00 O ATOM 525 OD2 ASP A 33 -15.722 -2.912 0.866 1.00 0.00 O ATOM 0 H ASP A 33 -11.677 -2.045 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.152 -2.185 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.878 -3.989 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.143 -4.657 0.973 1.00 0.00 H new ATOM 530 N GLY A 34 -9.984 -3.540 1.000 1.00 0.00 N ATOM 531 CA GLY A 34 -8.704 -4.256 0.879 1.00 0.00 C ATOM 532 C GLY A 34 -7.882 -3.854 -0.348 1.00 0.00 C ATOM 533 O GLY A 34 -6.881 -4.498 -0.673 1.00 0.00 O ATOM 0 H GLY A 34 -10.054 -2.956 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.112 -4.075 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.901 -5.327 0.837 1.00 0.00 H new ATOM 537 N SER A 35 -8.307 -2.769 -1.008 1.00 0.00 N ATOM 538 CA SER A 35 -7.815 -2.364 -2.318 1.00 0.00 C ATOM 539 C SER A 35 -6.528 -1.568 -2.168 1.00 0.00 C ATOM 540 O SER A 35 -6.522 -0.554 -1.484 1.00 0.00 O ATOM 541 CB SER A 35 -8.906 -1.520 -2.998 1.00 0.00 C ATOM 542 OG SER A 35 -10.152 -2.184 -2.947 1.00 0.00 O ATOM 0 H SER A 35 -9.017 -2.140 -0.633 1.00 0.00 H new ATOM 0 HA SER A 35 -7.594 -3.239 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.984 -0.551 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.632 -1.329 -4.035 1.00 0.00 H new ATOM 0 HG SER A 35 -10.020 -3.141 -3.112 1.00 0.00 H new ATOM 548 N PHE A 36 -5.448 -2.009 -2.821 1.00 0.00 N ATOM 549 CA PHE A 36 -4.132 -1.375 -2.685 1.00 0.00 C ATOM 550 C PHE A 36 -3.449 -1.208 -4.043 1.00 0.00 C ATOM 551 O PHE A 36 -3.747 -1.941 -4.997 1.00 0.00 O ATOM 552 CB PHE A 36 -3.233 -2.208 -1.743 1.00 0.00 C ATOM 553 CG PHE A 36 -2.863 -3.604 -2.266 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.750 -4.671 -2.151 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.621 -3.845 -2.866 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.414 -5.927 -2.617 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.293 -5.103 -3.332 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.185 -6.144 -3.199 1.00 0.00 C ATOM 0 H PHE A 36 -5.460 -2.809 -3.454 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.283 -0.384 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.315 -1.651 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.740 -2.318 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.714 -4.514 -1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.911 -3.037 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.117 -6.741 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.335 -5.271 -3.802 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.921 -7.130 -3.551 1.00 0.00 H new ATOM 568 N LEU A 37 -2.527 -0.237 -4.086 1.00 0.00 N ATOM 569 CA LEU A 37 -1.586 -0.042 -5.196 1.00 0.00 C ATOM 570 C LEU A 37 -0.383 0.798 -4.716 1.00 0.00 C ATOM 571 O LEU A 37 -0.478 1.532 -3.732 1.00 0.00 O ATOM 572 CB LEU A 37 -2.313 0.589 -6.426 1.00 0.00 C ATOM 573 CG LEU A 37 -3.045 1.959 -6.201 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.104 3.176 -6.373 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.283 2.079 -7.112 1.00 0.00 C ATOM 0 H LEU A 37 -2.413 0.446 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.199 -1.006 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.578 0.725 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.047 -0.130 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.378 1.970 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.664 4.096 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.290 3.111 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.694 3.179 -7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.772 3.037 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.975 2.015 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.979 1.270 -6.889 1.00 0.00 H new ATOM 587 N VAL A 38 0.729 0.692 -5.442 1.00 0.00 N ATOM 588 CA VAL A 38 1.993 1.366 -5.133 1.00 0.00 C ATOM 589 C VAL A 38 2.270 2.390 -6.257 1.00 0.00 C ATOM 590 O VAL A 38 1.844 2.205 -7.404 1.00 0.00 O ATOM 591 CB VAL A 38 3.186 0.335 -5.013 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.484 1.017 -4.498 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.805 -0.878 -4.120 1.00 0.00 C ATOM 0 H VAL A 38 0.779 0.120 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 38 1.914 1.868 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 38 3.385 -0.040 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.281 0.277 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.780 1.805 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.303 1.448 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.649 -1.565 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.551 -0.528 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.947 -1.393 -4.553 1.00 0.00 H new ATOM 603 N ARG A 39 2.968 3.471 -5.909 1.00 0.00 N ATOM 604 CA ARG A 39 3.349 4.543 -6.837 1.00 0.00 C ATOM 605 C ARG A 39 4.693 5.135 -6.399 1.00 0.00 C ATOM 606 O ARG A 39 5.259 4.728 -5.375 1.00 0.00 O ATOM 607 CB ARG A 39 2.249 5.649 -6.895 1.00 0.00 C ATOM 608 CG ARG A 39 1.860 6.256 -5.526 1.00 0.00 C ATOM 609 CD ARG A 39 0.849 7.415 -5.650 1.00 0.00 C ATOM 610 NE ARG A 39 1.449 8.613 -6.285 1.00 0.00 N ATOM 611 CZ ARG A 39 1.602 9.822 -5.698 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.261 10.011 -4.427 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.100 10.833 -6.391 1.00 0.00 N ATOM 0 H ARG A 39 3.292 3.632 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 39 3.448 4.128 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.596 6.451 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.356 5.228 -7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.435 5.475 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.759 6.616 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.009 7.086 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.477 7.678 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 39 1.774 8.517 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.878 9.239 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.382 10.928 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.368 10.700 -7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.216 11.745 -5.950 1.00 0.00 H new ATOM 627 N ASP A 40 5.196 6.086 -7.189 1.00 0.00 N ATOM 628 CA ASP A 40 6.414 6.845 -6.859 1.00 0.00 C ATOM 629 C ASP A 40 6.013 8.016 -5.943 1.00 0.00 C ATOM 630 O ASP A 40 5.052 8.740 -6.256 1.00 0.00 O ATOM 631 CB ASP A 40 7.091 7.348 -8.163 1.00 0.00 C ATOM 632 CG ASP A 40 8.471 7.994 -7.938 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.450 7.252 -7.721 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.588 9.243 -7.996 1.00 0.00 O ATOM 0 H ASP A 40 4.773 6.355 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 40 7.136 6.215 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.201 6.510 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.435 8.073 -8.645 1.00 0.00 H new ATOM 639 N SER A 41 6.718 8.162 -4.800 1.00 0.00 N ATOM 640 CA SER A 41 6.385 9.161 -3.755 1.00 0.00 C ATOM 641 C SER A 41 6.462 10.601 -4.286 1.00 0.00 C ATOM 642 O SER A 41 7.352 10.946 -5.070 1.00 0.00 O ATOM 643 CB SER A 41 7.304 9.007 -2.518 1.00 0.00 C ATOM 644 OG SER A 41 6.929 9.885 -1.456 1.00 0.00 O ATOM 0 H SER A 41 7.533 7.592 -4.574 1.00 0.00 H new ATOM 0 HA SER A 41 5.355 8.966 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.267 7.976 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.336 9.208 -2.806 1.00 0.00 H new ATOM 0 HG SER A 41 7.533 9.755 -0.695 1.00 0.00 H new ATOM 650 N GLU A 42 5.528 11.427 -3.813 1.00 0.00 N ATOM 651 CA GLU A 42 5.441 12.851 -4.169 1.00 0.00 C ATOM 652 C GLU A 42 5.898 13.702 -2.958 1.00 0.00 C ATOM 653 O GLU A 42 5.943 14.937 -3.016 1.00 0.00 O ATOM 654 CB GLU A 42 3.984 13.175 -4.588 1.00 0.00 C ATOM 655 CG GLU A 42 3.776 14.551 -5.250 1.00 0.00 C ATOM 656 CD GLU A 42 2.310 14.824 -5.605 1.00 0.00 C ATOM 657 OE1 GLU A 42 1.791 14.164 -6.531 1.00 0.00 O ATOM 658 OE2 GLU A 42 1.655 15.660 -4.945 1.00 0.00 O ATOM 0 H GLU A 42 4.801 11.126 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 42 6.094 13.085 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.643 12.404 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.348 13.116 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.133 15.331 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.381 14.609 -6.155 1.00 0.00 H new ATOM 665 N SER A 43 6.272 13.008 -1.872 1.00 0.00 N ATOM 666 CA SER A 43 6.681 13.617 -0.609 1.00 0.00 C ATOM 667 C SER A 43 8.210 13.522 -0.447 1.00 0.00 C ATOM 668 O SER A 43 8.861 14.476 -0.005 1.00 0.00 O ATOM 669 CB SER A 43 5.952 12.899 0.549 1.00 0.00 C ATOM 670 OG SER A 43 6.206 13.526 1.787 1.00 0.00 O ATOM 0 H SER A 43 6.297 11.988 -1.853 1.00 0.00 H new ATOM 0 HA SER A 43 6.411 14.673 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.879 12.892 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.274 11.859 0.594 1.00 0.00 H new ATOM 0 HG SER A 43 5.730 13.049 2.499 1.00 0.00 H new ATOM 676 N VAL A 44 8.778 12.346 -0.814 1.00 0.00 N ATOM 677 CA VAL A 44 10.224 12.056 -0.697 1.00 0.00 C ATOM 678 C VAL A 44 10.760 11.545 -2.054 1.00 0.00 C ATOM 679 O VAL A 44 10.343 10.482 -2.524 1.00 0.00 O ATOM 680 CB VAL A 44 10.513 10.989 0.430 1.00 0.00 C ATOM 681 CG1 VAL A 44 12.032 10.756 0.617 1.00 0.00 C ATOM 682 CG2 VAL A 44 9.848 11.380 1.775 1.00 0.00 C ATOM 0 H VAL A 44 8.241 11.570 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 44 10.734 12.979 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 44 10.068 10.051 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.193 10.016 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.462 10.395 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.512 11.693 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.070 10.621 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.237 12.343 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.769 11.452 1.640 1.00 0.00 H new ATOM 692 N ALA A 45 11.668 12.327 -2.674 1.00 0.00 N ATOM 693 CA ALA A 45 12.267 12.013 -3.990 1.00 0.00 C ATOM 694 C ALA A 45 13.229 10.811 -3.882 1.00 0.00 C ATOM 695 O ALA A 45 14.163 10.839 -3.079 1.00 0.00 O ATOM 696 CB ALA A 45 12.999 13.245 -4.550 1.00 0.00 C ATOM 0 H ALA A 45 12.009 13.201 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 45 11.465 11.743 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.435 13.000 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.292 14.066 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.789 13.543 -3.861 1.00 0.00 H new ATOM 702 N GLY A 46 12.990 9.773 -4.701 1.00 0.00 N ATOM 703 CA GLY A 46 13.741 8.512 -4.622 1.00 0.00 C ATOM 704 C GLY A 46 13.123 7.519 -3.648 1.00 0.00 C ATOM 705 O GLY A 46 13.753 6.524 -3.274 1.00 0.00 O ATOM 0 H GLY A 46 12.277 9.785 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.789 8.060 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.766 8.723 -4.317 1.00 0.00 H new ATOM 709 N ALA A 47 11.888 7.811 -3.207 1.00 0.00 N ATOM 710 CA ALA A 47 11.067 6.891 -2.399 1.00 0.00 C ATOM 711 C ALA A 47 9.750 6.537 -3.123 1.00 0.00 C ATOM 712 O ALA A 47 9.467 7.030 -4.221 1.00 0.00 O ATOM 713 CB ALA A 47 10.799 7.513 -1.026 1.00 0.00 C ATOM 0 H ALA A 47 11.427 8.699 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 47 11.615 5.959 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.192 6.832 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.746 7.694 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.268 8.457 -1.151 1.00 0.00 H new ATOM 719 N PHE A 48 8.965 5.653 -2.489 1.00 0.00 N ATOM 720 CA PHE A 48 7.666 5.167 -2.992 1.00 0.00 C ATOM 721 C PHE A 48 6.560 5.422 -1.948 1.00 0.00 C ATOM 722 O PHE A 48 6.836 5.769 -0.784 1.00 0.00 O ATOM 723 CB PHE A 48 7.747 3.650 -3.333 1.00 0.00 C ATOM 724 CG PHE A 48 8.873 3.302 -4.298 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.723 3.505 -5.669 1.00 0.00 C ATOM 726 CD2 PHE A 48 10.086 2.787 -3.834 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.752 3.222 -6.540 1.00 0.00 C ATOM 728 CE2 PHE A 48 11.113 2.498 -4.709 1.00 0.00 C ATOM 729 CZ PHE A 48 10.945 2.711 -6.062 1.00 0.00 C ATOM 0 H PHE A 48 9.220 5.245 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 48 7.421 5.714 -3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.883 3.085 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.798 3.332 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.789 3.889 -6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.222 2.613 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.627 3.399 -7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.047 2.106 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.746 2.478 -6.748 1.00 0.00 H new ATOM 739 N ALA A 49 5.308 5.277 -2.399 1.00 0.00 N ATOM 740 CA ALA A 49 4.104 5.402 -1.562 1.00 0.00 C ATOM 741 C ALA A 49 3.126 4.261 -1.894 1.00 0.00 C ATOM 742 O ALA A 49 3.050 3.814 -3.037 1.00 0.00 O ATOM 743 CB ALA A 49 3.446 6.782 -1.774 1.00 0.00 C ATOM 0 H ALA A 49 5.097 5.065 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 49 4.382 5.325 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.557 6.861 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.152 7.567 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.165 6.894 -2.821 1.00 0.00 H new ATOM 749 N LEU A 50 2.377 3.821 -0.885 1.00 0.00 N ATOM 750 CA LEU A 50 1.396 2.724 -0.974 1.00 0.00 C ATOM 751 C LEU A 50 0.051 3.272 -0.507 1.00 0.00 C ATOM 752 O LEU A 50 -0.032 3.803 0.585 1.00 0.00 O ATOM 753 CB LEU A 50 1.846 1.525 -0.075 1.00 0.00 C ATOM 754 CG LEU A 50 0.834 0.344 0.122 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.480 -0.358 -1.204 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.361 -0.673 1.166 1.00 0.00 C ATOM 0 H LEU A 50 2.432 4.226 0.049 1.00 0.00 H new ATOM 0 HA LEU A 50 1.318 2.357 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.763 1.114 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.097 1.919 0.910 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.089 0.781 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.224 -1.168 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.027 0.361 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.386 -0.764 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.639 -1.481 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.313 -1.082 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.502 -0.171 2.123 1.00 0.00 H new ATOM 768 N CYS A 51 -0.988 3.174 -1.335 1.00 0.00 N ATOM 769 CA CYS A 51 -2.339 3.658 -0.993 1.00 0.00 C ATOM 770 C CYS A 51 -3.264 2.444 -0.855 1.00 0.00 C ATOM 771 O CYS A 51 -3.361 1.637 -1.785 1.00 0.00 O ATOM 772 CB CYS A 51 -2.852 4.640 -2.079 1.00 0.00 C ATOM 773 SG CYS A 51 -4.401 5.476 -1.650 1.00 0.00 S ATOM 0 H CYS A 51 -0.924 2.758 -2.264 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.318 4.204 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.085 5.392 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.993 4.092 -3.011 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.745 6.275 -2.616 1.00 0.00 H new ATOM 779 N VAL A 52 -3.923 2.302 0.313 1.00 0.00 N ATOM 780 CA VAL A 52 -4.809 1.152 0.625 1.00 0.00 C ATOM 781 C VAL A 52 -6.160 1.689 1.118 1.00 0.00 C ATOM 782 O VAL A 52 -6.203 2.698 1.812 1.00 0.00 O ATOM 783 CB VAL A 52 -4.188 0.181 1.709 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.060 -1.096 1.907 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.732 -0.199 1.353 1.00 0.00 C ATOM 0 H VAL A 52 -3.858 2.981 1.071 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.934 0.567 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.176 0.722 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.600 -1.737 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.058 -0.808 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.132 -1.637 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.333 -0.867 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.713 -0.701 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.122 0.703 1.305 1.00 0.00 H new ATOM 795 N LEU A 53 -7.247 1.009 0.759 1.00 0.00 N ATOM 796 CA LEU A 53 -8.613 1.397 1.115 1.00 0.00 C ATOM 797 C LEU A 53 -9.337 0.184 1.700 1.00 0.00 C ATOM 798 O LEU A 53 -9.131 -0.939 1.242 1.00 0.00 O ATOM 799 CB LEU A 53 -9.356 1.918 -0.139 1.00 0.00 C ATOM 800 CG LEU A 53 -10.882 2.236 0.023 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.157 3.294 1.109 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.483 2.671 -1.314 1.00 0.00 C ATOM 0 H LEU A 53 -7.204 0.156 0.202 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.590 2.195 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.855 2.824 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.246 1.177 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.364 1.315 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.230 3.475 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.787 2.934 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.649 4.223 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.543 2.888 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.971 3.565 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.364 1.870 -2.044 1.00 0.00 H new ATOM 814 N TYR A 54 -10.204 0.450 2.682 1.00 0.00 N ATOM 815 CA TYR A 54 -11.022 -0.561 3.346 1.00 0.00 C ATOM 816 C TYR A 54 -12.153 0.138 4.118 1.00 0.00 C ATOM 817 O TYR A 54 -11.869 0.965 4.990 1.00 0.00 O ATOM 818 CB TYR A 54 -10.169 -1.432 4.286 1.00 0.00 C ATOM 819 CG TYR A 54 -10.969 -2.507 5.024 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.460 -3.631 4.353 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.224 -2.401 6.392 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.169 -4.610 5.025 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.934 -3.370 7.062 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.403 -4.474 6.381 1.00 0.00 C ATOM 825 OH TYR A 54 -13.091 -5.455 7.062 1.00 0.00 O ATOM 0 H TYR A 54 -10.357 1.392 3.042 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.454 -1.224 2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.381 -1.912 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.680 -0.789 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.283 -3.736 3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.857 -1.542 6.935 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.538 -5.475 4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.124 -3.267 8.120 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.168 -5.205 8.006 1.00 0.00 H new ATOM 835 N GLN A 55 -13.411 -0.237 3.790 1.00 0.00 N ATOM 836 CA GLN A 55 -14.660 0.338 4.363 1.00 0.00 C ATOM 837 C GLN A 55 -14.567 1.879 4.500 1.00 0.00 C ATOM 838 O GLN A 55 -14.382 2.402 5.602 1.00 0.00 O ATOM 839 CB GLN A 55 -15.029 -0.382 5.716 1.00 0.00 C ATOM 840 CG GLN A 55 -16.532 -0.328 6.131 1.00 0.00 C ATOM 841 CD GLN A 55 -17.004 0.998 6.762 1.00 0.00 C ATOM 842 OE1 GLN A 55 -16.260 1.660 7.484 1.00 0.00 O ATOM 843 NE2 GLN A 55 -18.237 1.393 6.483 1.00 0.00 N ATOM 0 H GLN A 55 -13.595 -0.967 3.102 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.480 0.151 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.730 -1.428 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.436 0.063 6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -17.141 -0.526 5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.724 -1.134 6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.831 0.823 5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.592 2.267 6.870 1.00 0.00 H new ATOM 852 N LYS A 56 -14.577 2.571 3.332 1.00 0.00 N ATOM 853 CA LYS A 56 -14.524 4.061 3.202 1.00 0.00 C ATOM 854 C LYS A 56 -13.400 4.741 4.050 1.00 0.00 C ATOM 855 O LYS A 56 -13.481 5.938 4.359 1.00 0.00 O ATOM 856 CB LYS A 56 -15.927 4.715 3.467 1.00 0.00 C ATOM 857 CG LYS A 56 -16.458 4.653 4.927 1.00 0.00 C ATOM 858 CD LYS A 56 -17.859 5.282 5.101 1.00 0.00 C ATOM 859 CE LYS A 56 -18.953 4.554 4.298 1.00 0.00 C ATOM 860 NZ LYS A 56 -20.298 5.100 4.578 1.00 0.00 N ATOM 0 H LYS A 56 -14.623 2.101 2.428 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.251 4.249 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.878 5.762 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.657 4.231 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.493 3.612 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.754 5.165 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.126 5.273 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.823 6.326 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.740 4.642 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.935 3.491 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -21.006 4.583 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.512 4.994 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.324 6.108 4.323 1.00 0.00 H new ATOM 874 N HIS A 57 -12.325 3.979 4.355 1.00 0.00 N ATOM 875 CA HIS A 57 -11.190 4.463 5.172 1.00 0.00 C ATOM 876 C HIS A 57 -9.872 4.124 4.461 1.00 0.00 C ATOM 877 O HIS A 57 -9.549 2.949 4.245 1.00 0.00 O ATOM 878 CB HIS A 57 -11.214 3.852 6.597 1.00 0.00 C ATOM 879 CG HIS A 57 -10.180 4.442 7.527 1.00 0.00 C ATOM 880 ND1 HIS A 57 -9.123 3.731 8.052 1.00 0.00 N ATOM 881 CD2 HIS A 57 -10.054 5.701 8.025 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.398 4.523 8.821 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.942 5.720 8.824 1.00 0.00 N ATOM 0 H HIS A 57 -12.220 3.014 4.042 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.277 5.544 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.204 3.998 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.053 2.776 6.525 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.711 6.535 7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.506 4.235 9.358 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.593 6.530 9.337 1.00 0.00 H new ATOM 892 N VAL A 58 -9.130 5.173 4.099 1.00 0.00 N ATOM 893 CA VAL A 58 -7.860 5.081 3.361 1.00 0.00 C ATOM 894 C VAL A 58 -6.683 5.210 4.341 1.00 0.00 C ATOM 895 O VAL A 58 -6.765 5.941 5.332 1.00 0.00 O ATOM 896 CB VAL A 58 -7.774 6.209 2.260 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.512 6.067 1.352 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.062 6.224 1.411 1.00 0.00 C ATOM 0 H VAL A 58 -9.398 6.133 4.314 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.812 4.112 2.864 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.677 7.162 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.503 6.868 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.613 6.130 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.537 5.104 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.991 7.006 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.187 5.258 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.920 6.419 2.055 1.00 0.00 H new ATOM 908 N HIS A 59 -5.608 4.477 4.046 1.00 0.00 N ATOM 909 CA HIS A 59 -4.345 4.530 4.783 1.00 0.00 C ATOM 910 C HIS A 59 -3.218 4.520 3.740 1.00 0.00 C ATOM 911 O HIS A 59 -3.113 3.567 2.955 1.00 0.00 O ATOM 912 CB HIS A 59 -4.213 3.344 5.788 1.00 0.00 C ATOM 913 CG HIS A 59 -3.153 3.535 6.861 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.411 3.386 8.208 1.00 0.00 N ATOM 915 CD2 HIS A 59 -1.827 3.814 6.777 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.300 3.566 8.897 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.327 3.824 8.054 1.00 0.00 N ATOM 0 H HIS A 59 -5.591 3.815 3.270 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.295 5.434 5.390 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.177 3.187 6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.986 2.436 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.268 3.995 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.207 3.511 9.972 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.356 4.003 8.308 1.00 0.00 H new ATOM 926 N THR A 60 -2.397 5.574 3.714 1.00 0.00 N ATOM 927 CA THR A 60 -1.272 5.690 2.779 1.00 0.00 C ATOM 928 C THR A 60 0.036 5.456 3.546 1.00 0.00 C ATOM 929 O THR A 60 0.406 6.253 4.413 1.00 0.00 O ATOM 930 CB THR A 60 -1.254 7.090 2.079 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.534 7.349 1.470 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.156 7.198 1.000 1.00 0.00 C ATOM 0 H THR A 60 -2.493 6.373 4.341 1.00 0.00 H new ATOM 0 HA THR A 60 -1.382 4.939 1.997 1.00 0.00 H new ATOM 0 HB THR A 60 -1.038 7.828 2.851 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.403 7.633 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.188 8.189 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.821 7.040 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.324 6.442 0.233 1.00 0.00 H new ATOM 940 N TYR A 61 0.723 4.358 3.210 1.00 0.00 N ATOM 941 CA TYR A 61 1.961 3.935 3.849 1.00 0.00 C ATOM 942 C TYR A 61 3.121 4.459 2.999 1.00 0.00 C ATOM 943 O TYR A 61 3.223 4.107 1.825 1.00 0.00 O ATOM 944 CB TYR A 61 2.033 2.375 3.920 1.00 0.00 C ATOM 945 CG TYR A 61 0.811 1.682 4.554 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.391 1.570 3.850 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.858 1.143 5.844 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.490 0.956 4.405 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.246 0.522 6.398 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.418 0.437 5.673 1.00 0.00 C ATOM 951 OH TYR A 61 -2.531 -0.165 6.219 1.00 0.00 O ATOM 0 H TYR A 61 0.421 3.728 2.467 1.00 0.00 H new ATOM 0 HA TYR A 61 2.011 4.326 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.164 1.988 2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.922 2.095 4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.459 1.973 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.771 1.213 6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.409 0.883 3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.192 0.105 7.393 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.072 -0.562 5.505 1.00 0.00 H new ATOM 961 N ARG A 62 3.956 5.327 3.572 1.00 0.00 N ATOM 962 CA ARG A 62 5.223 5.754 2.943 1.00 0.00 C ATOM 963 C ARG A 62 6.148 4.536 2.769 1.00 0.00 C ATOM 964 O ARG A 62 5.997 3.543 3.483 1.00 0.00 O ATOM 965 CB ARG A 62 5.910 6.840 3.791 1.00 0.00 C ATOM 966 CG ARG A 62 5.148 8.174 3.878 1.00 0.00 C ATOM 967 CD ARG A 62 5.870 9.196 4.775 1.00 0.00 C ATOM 968 NE ARG A 62 5.954 8.748 6.178 1.00 0.00 N ATOM 969 CZ ARG A 62 5.233 9.251 7.198 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.366 10.243 6.995 1.00 0.00 N ATOM 971 NH2 ARG A 62 5.387 8.761 8.414 1.00 0.00 N ATOM 0 H ARG A 62 3.781 5.756 4.481 1.00 0.00 H new ATOM 0 HA ARG A 62 5.008 6.180 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.055 6.455 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.900 7.031 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.031 8.590 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.146 7.994 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.875 9.368 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.344 10.150 4.731 1.00 0.00 H new ATOM 0 HE ARG A 62 6.611 7.997 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.243 10.629 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.826 10.616 7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.050 8.004 8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.843 9.140 9.189 1.00 0.00 H new ATOM 985 N ILE A 63 7.118 4.623 1.847 1.00 0.00 N ATOM 986 CA ILE A 63 7.985 3.476 1.530 1.00 0.00 C ATOM 987 C ILE A 63 9.329 4.140 1.229 1.00 0.00 C ATOM 988 O ILE A 63 9.524 4.664 0.142 1.00 0.00 O ATOM 989 CB ILE A 63 7.514 2.588 0.297 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.079 1.999 0.505 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.536 1.453 0.004 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.520 1.245 -0.696 1.00 0.00 C ATOM 0 H ILE A 63 7.322 5.467 1.312 1.00 0.00 H new ATOM 0 HA ILE A 63 7.991 2.763 2.354 1.00 0.00 H new ATOM 0 HB ILE A 63 7.470 3.248 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.098 1.326 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.399 2.814 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.190 0.861 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.507 1.889 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.629 0.812 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.523 0.873 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.464 1.916 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.173 0.406 -0.935 1.00 0.00 H new ATOM 1004 N LEU A 64 10.240 4.158 2.192 1.00 0.00 N ATOM 1005 CA LEU A 64 11.511 4.905 2.095 1.00 0.00 C ATOM 1006 C LEU A 64 12.641 3.899 2.277 1.00 0.00 C ATOM 1007 O LEU A 64 12.432 2.923 2.988 1.00 0.00 O ATOM 1008 CB LEU A 64 11.612 6.032 3.188 1.00 0.00 C ATOM 1009 CG LEU A 64 10.996 7.430 2.840 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.460 7.394 2.709 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.447 8.501 3.866 1.00 0.00 C ATOM 0 H LEU A 64 10.128 3.655 3.073 1.00 0.00 H new ATOM 0 HA LEU A 64 11.571 5.400 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.129 5.667 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.666 6.178 3.425 1.00 0.00 H new ATOM 0 HG LEU A 64 11.380 7.706 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.092 8.391 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.179 6.701 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.022 7.064 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.007 9.463 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.118 8.211 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.534 8.583 3.852 1.00 0.00 H new ATOM 1023 N PRO A 65 13.847 4.098 1.635 1.00 0.00 N ATOM 1024 CA PRO A 65 15.035 3.246 1.887 1.00 0.00 C ATOM 1025 C PRO A 65 15.245 2.982 3.400 1.00 0.00 C ATOM 1026 O PRO A 65 15.116 1.831 3.847 1.00 0.00 O ATOM 1027 CB PRO A 65 16.188 4.056 1.246 1.00 0.00 C ATOM 1028 CG PRO A 65 15.523 4.775 0.106 1.00 0.00 C ATOM 1029 CD PRO A 65 14.130 5.132 0.600 1.00 0.00 C ATOM 0 HA PRO A 65 14.949 2.245 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.631 4.754 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 65 16.989 3.405 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 65 16.081 5.669 -0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 65 15.474 4.142 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.099 6.138 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.399 5.101 -0.208 1.00 0.00 H new ATOM 1037 N ASP A 66 15.429 4.082 4.165 1.00 0.00 N ATOM 1038 CA ASP A 66 15.524 4.079 5.652 1.00 0.00 C ATOM 1039 C ASP A 66 16.487 2.985 6.165 1.00 0.00 C ATOM 1040 O ASP A 66 16.063 1.941 6.670 1.00 0.00 O ATOM 1041 CB ASP A 66 14.094 3.952 6.275 1.00 0.00 C ATOM 1042 CG ASP A 66 14.054 4.037 7.818 1.00 0.00 C ATOM 1043 OD1 ASP A 66 14.572 5.030 8.375 1.00 0.00 O ATOM 1044 OD2 ASP A 66 13.504 3.123 8.482 1.00 0.00 O ATOM 0 H ASP A 66 15.518 5.016 3.764 1.00 0.00 H new ATOM 0 HA ASP A 66 15.951 5.028 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.462 4.739 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.660 3.001 5.965 1.00 0.00 H new ATOM 1049 N GLY A 67 17.788 3.203 5.945 1.00 0.00 N ATOM 1050 CA GLY A 67 18.813 2.226 6.306 1.00 0.00 C ATOM 1051 C GLY A 67 20.027 2.332 5.406 1.00 0.00 C ATOM 1052 O GLY A 67 21.035 2.911 5.814 1.00 0.00 O ATOM 0 H GLY A 67 18.154 4.053 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.113 2.379 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.397 1.221 6.240 1.00 0.00 H new ATOM 1056 N GLU A 68 19.894 1.811 4.153 1.00 0.00 N ATOM 1057 CA GLU A 68 20.982 1.726 3.144 1.00 0.00 C ATOM 1058 C GLU A 68 20.565 0.843 1.932 1.00 0.00 C ATOM 1059 O GLU A 68 20.861 1.189 0.785 1.00 0.00 O ATOM 1060 CB GLU A 68 22.330 1.177 3.715 1.00 0.00 C ATOM 1061 CG GLU A 68 22.261 -0.239 4.329 1.00 0.00 C ATOM 1062 CD GLU A 68 23.626 -0.792 4.745 1.00 0.00 C ATOM 1063 OE1 GLU A 68 24.217 -0.285 5.729 1.00 0.00 O ATOM 1064 OE2 GLU A 68 24.124 -1.731 4.086 1.00 0.00 O ATOM 0 H GLU A 68 19.010 1.432 3.813 1.00 0.00 H new ATOM 0 HA GLU A 68 21.147 2.756 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 68 23.069 1.172 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 68 22.691 1.868 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 68 21.606 -0.217 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.808 -0.918 3.607 1.00 0.00 H new ATOM 1071 N ASP A 69 19.866 -0.291 2.193 1.00 0.00 N ATOM 1072 CA ASP A 69 19.754 -1.412 1.203 1.00 0.00 C ATOM 1073 C ASP A 69 18.303 -1.926 0.980 1.00 0.00 C ATOM 1074 O ASP A 69 18.027 -2.619 -0.003 1.00 0.00 O ATOM 1075 CB ASP A 69 20.676 -2.576 1.689 1.00 0.00 C ATOM 1076 CG ASP A 69 20.741 -3.771 0.720 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.257 -3.593 -0.404 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.264 -4.875 1.064 1.00 0.00 O ATOM 0 H ASP A 69 19.373 -0.460 3.070 1.00 0.00 H new ATOM 0 HA ASP A 69 20.068 -1.028 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.684 -2.189 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.321 -2.926 2.658 1.00 0.00 H new ATOM 1083 N PHE A 70 17.381 -1.540 1.850 1.00 0.00 N ATOM 1084 CA PHE A 70 16.019 -2.126 1.946 1.00 0.00 C ATOM 1085 C PHE A 70 14.953 -1.058 1.652 1.00 0.00 C ATOM 1086 O PHE A 70 15.252 0.129 1.620 1.00 0.00 O ATOM 1087 CB PHE A 70 15.789 -2.734 3.358 1.00 0.00 C ATOM 1088 CG PHE A 70 16.737 -3.882 3.711 1.00 0.00 C ATOM 1089 CD1 PHE A 70 16.433 -5.193 3.347 1.00 0.00 C ATOM 1090 CD2 PHE A 70 17.938 -3.650 4.382 1.00 0.00 C ATOM 1091 CE1 PHE A 70 17.289 -6.231 3.653 1.00 0.00 C ATOM 1092 CE2 PHE A 70 18.792 -4.691 4.690 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.471 -5.980 4.316 1.00 0.00 C ATOM 0 H PHE A 70 17.545 -0.797 2.530 1.00 0.00 H new ATOM 0 HA PHE A 70 15.933 -2.920 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.899 -1.946 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 70 14.762 -3.093 3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.514 -5.399 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.204 -2.642 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.032 -7.242 3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.711 -4.496 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 70 19.146 -6.792 4.543 1.00 0.00 H new ATOM 1103 N LEU A 71 13.721 -1.516 1.375 1.00 0.00 N ATOM 1104 CA LEU A 71 12.534 -0.652 1.250 1.00 0.00 C ATOM 1105 C LEU A 71 11.693 -0.820 2.521 1.00 0.00 C ATOM 1106 O LEU A 71 11.053 -1.854 2.712 1.00 0.00 O ATOM 1107 CB LEU A 71 11.671 -1.013 0.001 1.00 0.00 C ATOM 1108 CG LEU A 71 12.354 -0.871 -1.403 1.00 0.00 C ATOM 1109 CD1 LEU A 71 13.305 -2.046 -1.716 1.00 0.00 C ATOM 1110 CD2 LEU A 71 11.303 -0.690 -2.522 1.00 0.00 C ATOM 0 H LEU A 71 13.519 -2.505 1.230 1.00 0.00 H new ATOM 0 HA LEU A 71 12.863 0.379 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.332 -2.043 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.782 -0.383 0.010 1.00 0.00 H new ATOM 0 HG LEU A 71 12.966 0.030 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.752 -1.900 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.091 -2.088 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.744 -2.980 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.808 -0.594 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.642 -1.556 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.717 0.209 -2.329 1.00 0.00 H new ATOM 1122 N ALA A 72 11.674 0.221 3.348 1.00 0.00 N ATOM 1123 CA ALA A 72 11.004 0.225 4.653 1.00 0.00 C ATOM 1124 C ALA A 72 9.629 0.869 4.519 1.00 0.00 C ATOM 1125 O ALA A 72 9.510 1.994 4.034 1.00 0.00 O ATOM 1126 CB ALA A 72 11.861 0.980 5.684 1.00 0.00 C ATOM 0 H ALA A 72 12.132 1.106 3.129 1.00 0.00 H new ATOM 0 HA ALA A 72 10.878 -0.801 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.355 0.977 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.830 0.490 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.006 2.008 5.353 1.00 0.00 H new ATOM 1132 N VAL A 73 8.599 0.147 4.959 1.00 0.00 N ATOM 1133 CA VAL A 73 7.206 0.607 4.871 1.00 0.00 C ATOM 1134 C VAL A 73 6.812 1.247 6.202 1.00 0.00 C ATOM 1135 O VAL A 73 7.038 0.665 7.272 1.00 0.00 O ATOM 1136 CB VAL A 73 6.215 -0.554 4.524 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.785 -0.014 4.237 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.758 -1.405 3.355 1.00 0.00 C ATOM 0 H VAL A 73 8.702 -0.773 5.387 1.00 0.00 H new ATOM 0 HA VAL A 73 7.141 1.334 4.061 1.00 0.00 H new ATOM 0 HB VAL A 73 6.136 -1.205 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.123 -0.846 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.410 0.509 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.819 0.675 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.054 -2.206 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.884 -0.775 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.720 -1.835 3.634 1.00 0.00 H new ATOM 1148 N GLN A 74 6.187 2.418 6.124 1.00 0.00 N ATOM 1149 CA GLN A 74 5.831 3.211 7.289 1.00 0.00 C ATOM 1150 C GLN A 74 4.387 2.855 7.653 1.00 0.00 C ATOM 1151 O GLN A 74 3.440 3.421 7.104 1.00 0.00 O ATOM 1152 CB GLN A 74 5.997 4.734 6.991 1.00 0.00 C ATOM 1153 CG GLN A 74 7.447 5.279 7.033 1.00 0.00 C ATOM 1154 CD GLN A 74 8.438 4.609 6.070 1.00 0.00 C ATOM 1155 OE1 GLN A 74 8.569 5.012 4.919 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.160 3.601 6.545 1.00 0.00 N ATOM 0 H GLN A 74 5.912 2.845 5.239 1.00 0.00 H new ATOM 0 HA GLN A 74 6.490 2.991 8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.581 4.939 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.399 5.292 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.421 6.346 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.827 5.171 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.028 3.288 7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.846 3.139 5.948 1.00 0.00 H new ATOM 1165 N THR A 75 4.248 1.829 8.502 1.00 0.00 N ATOM 1166 CA THR A 75 2.955 1.399 9.038 1.00 0.00 C ATOM 1167 C THR A 75 2.445 2.449 10.042 1.00 0.00 C ATOM 1168 O THR A 75 1.466 3.166 9.750 1.00 0.00 O ATOM 1169 CB THR A 75 3.086 -0.036 9.677 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.229 -0.072 10.559 1.00 0.00 O ATOM 1171 CG2 THR A 75 3.234 -1.134 8.593 1.00 0.00 C ATOM 0 H THR A 75 5.035 1.273 8.837 1.00 0.00 H new ATOM 0 HA THR A 75 2.220 1.323 8.237 1.00 0.00 H new ATOM 0 HB THR A 75 2.173 -0.237 10.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.590 -0.983 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.322 -2.109 9.072 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.358 -1.126 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.127 -0.940 7.999 1.00 0.00 H new ATOM 1179 N SER A 76 3.176 2.572 11.176 1.00 0.00 N ATOM 1180 CA SER A 76 2.929 3.567 12.244 1.00 0.00 C ATOM 1181 C SER A 76 3.909 3.339 13.412 1.00 0.00 C ATOM 1182 O SER A 76 4.682 2.372 13.407 1.00 0.00 O ATOM 1183 CB SER A 76 1.467 3.483 12.767 1.00 0.00 C ATOM 1184 OG SER A 76 1.180 4.482 13.734 1.00 0.00 O ATOM 0 H SER A 76 3.972 1.967 11.377 1.00 0.00 H new ATOM 0 HA SER A 76 3.085 4.559 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.778 3.584 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.296 2.499 13.203 1.00 0.00 H new ATOM 0 HG SER A 76 0.251 4.391 14.032 1.00 0.00 H new ATOM 1190 N GLN A 77 3.864 4.249 14.403 1.00 0.00 N ATOM 1191 CA GLN A 77 4.525 4.071 15.713 1.00 0.00 C ATOM 1192 C GLN A 77 3.812 2.928 16.495 1.00 0.00 C ATOM 1193 O GLN A 77 2.650 2.612 16.191 1.00 0.00 O ATOM 1194 CB GLN A 77 4.473 5.415 16.506 1.00 0.00 C ATOM 1195 CG GLN A 77 5.303 5.436 17.807 1.00 0.00 C ATOM 1196 CD GLN A 77 5.179 6.728 18.614 1.00 0.00 C ATOM 1197 OE1 GLN A 77 4.962 7.809 18.070 1.00 0.00 O ATOM 1198 NE2 GLN A 77 5.336 6.630 19.925 1.00 0.00 N ATOM 0 H GLN A 77 3.365 5.135 14.318 1.00 0.00 H new ATOM 0 HA GLN A 77 5.571 3.795 15.575 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.823 6.217 15.856 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.434 5.635 16.752 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.995 4.599 18.434 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.352 5.277 17.557 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.515 5.721 20.351 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.278 7.464 20.509 1.00 0.00 H new ATOM 1207 N GLY A 78 4.472 2.337 17.515 1.00 0.00 N ATOM 1208 CA GLY A 78 3.968 1.125 18.181 1.00 0.00 C ATOM 1209 C GLY A 78 4.210 -0.144 17.371 1.00 0.00 C ATOM 1210 O GLY A 78 5.071 -0.958 17.725 1.00 0.00 O ATOM 0 H GLY A 78 5.354 2.683 17.892 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.449 1.025 19.154 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.899 1.235 18.363 1.00 0.00 H new ATOM 1214 N VAL A 79 3.441 -0.295 16.279 1.00 0.00 N ATOM 1215 CA VAL A 79 3.573 -1.426 15.332 1.00 0.00 C ATOM 1216 C VAL A 79 4.949 -1.369 14.600 1.00 0.00 C ATOM 1217 O VAL A 79 5.461 -0.270 14.355 1.00 0.00 O ATOM 1218 CB VAL A 79 2.393 -1.453 14.289 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.041 -1.668 14.998 1.00 0.00 C ATOM 1220 CG2 VAL A 79 2.370 -0.172 13.421 1.00 0.00 C ATOM 0 H VAL A 79 2.706 0.364 16.023 1.00 0.00 H new ATOM 0 HA VAL A 79 3.521 -2.348 15.911 1.00 0.00 H new ATOM 0 HB VAL A 79 2.563 -2.296 13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.241 -1.683 14.258 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.058 -2.617 15.534 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.867 -0.856 15.704 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.543 -0.227 12.713 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.242 0.700 14.062 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.309 -0.086 12.875 1.00 0.00 H new ATOM 1230 N PRO A 80 5.581 -2.544 14.267 1.00 0.00 N ATOM 1231 CA PRO A 80 6.938 -2.577 13.673 1.00 0.00 C ATOM 1232 C PRO A 80 6.977 -2.110 12.195 1.00 0.00 C ATOM 1233 O PRO A 80 6.081 -2.447 11.398 1.00 0.00 O ATOM 1234 CB PRO A 80 7.336 -4.070 13.822 1.00 0.00 C ATOM 1235 CG PRO A 80 6.033 -4.810 13.750 1.00 0.00 C ATOM 1236 CD PRO A 80 5.030 -3.917 14.454 1.00 0.00 C ATOM 0 HA PRO A 80 7.623 -1.887 14.166 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.015 -4.382 13.028 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.846 -4.253 14.768 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.740 -4.992 12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.105 -5.782 14.237 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.036 -4.011 14.018 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.940 -4.171 15.510 1.00 0.00 H new ATOM 1244 N VAL A 81 8.003 -1.299 11.853 1.00 0.00 N ATOM 1245 CA VAL A 81 8.350 -0.973 10.461 1.00 0.00 C ATOM 1246 C VAL A 81 8.920 -2.236 9.791 1.00 0.00 C ATOM 1247 O VAL A 81 9.926 -2.792 10.249 1.00 0.00 O ATOM 1248 CB VAL A 81 9.417 0.198 10.382 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.803 0.533 8.913 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.912 1.457 11.126 1.00 0.00 C ATOM 0 H VAL A 81 8.612 -0.854 12.540 1.00 0.00 H new ATOM 0 HA VAL A 81 7.450 -0.634 9.947 1.00 0.00 H new ATOM 0 HB VAL A 81 10.321 -0.152 10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.536 1.340 8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.230 -0.350 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.914 0.845 8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.662 2.245 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.982 1.800 10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.736 1.214 12.174 1.00 0.00 H new ATOM 1260 N ARG A 82 8.232 -2.705 8.746 1.00 0.00 N ATOM 1261 CA ARG A 82 8.656 -3.900 7.997 1.00 0.00 C ATOM 1262 C ARG A 82 9.410 -3.467 6.717 1.00 0.00 C ATOM 1263 O ARG A 82 8.830 -2.805 5.852 1.00 0.00 O ATOM 1264 CB ARG A 82 7.418 -4.770 7.639 1.00 0.00 C ATOM 1265 CG ARG A 82 7.755 -6.221 7.232 1.00 0.00 C ATOM 1266 CD ARG A 82 8.102 -7.120 8.424 1.00 0.00 C ATOM 1267 NE ARG A 82 6.925 -7.320 9.292 1.00 0.00 N ATOM 1268 CZ ARG A 82 6.893 -8.044 10.416 1.00 0.00 C ATOM 1269 NH1 ARG A 82 7.990 -8.633 10.878 1.00 0.00 N ATOM 1270 NH2 ARG A 82 5.756 -8.162 11.086 1.00 0.00 N ATOM 0 H ARG A 82 7.375 -2.276 8.396 1.00 0.00 H new ATOM 0 HA ARG A 82 9.327 -4.498 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.745 -4.793 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.877 -4.292 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.906 -6.648 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.595 -6.210 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.462 -8.084 8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.912 -6.671 9.000 1.00 0.00 H new ATOM 0 HE ARG A 82 6.057 -6.865 9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.872 -8.536 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.951 -9.182 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.912 -7.702 10.744 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.724 -8.713 11.944 1.00 0.00 H new ATOM 1284 N ARG A 83 10.701 -3.837 6.614 1.00 0.00 N ATOM 1285 CA ARG A 83 11.550 -3.542 5.435 1.00 0.00 C ATOM 1286 C ARG A 83 11.663 -4.785 4.535 1.00 0.00 C ATOM 1287 O ARG A 83 11.561 -5.920 5.020 1.00 0.00 O ATOM 1288 CB ARG A 83 12.956 -3.066 5.895 1.00 0.00 C ATOM 1289 CG ARG A 83 13.736 -4.094 6.754 1.00 0.00 C ATOM 1290 CD ARG A 83 15.097 -3.572 7.235 1.00 0.00 C ATOM 1291 NE ARG A 83 15.840 -4.582 8.015 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.132 -4.489 8.377 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.871 -3.436 8.040 1.00 0.00 N ATOM 1294 NH2 ARG A 83 17.679 -5.467 9.079 1.00 0.00 N ATOM 0 H ARG A 83 11.190 -4.351 7.347 1.00 0.00 H new ATOM 0 HA ARG A 83 11.087 -2.742 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.550 -2.824 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.844 -2.145 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.132 -4.367 7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.888 -5.003 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.693 -3.270 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.947 -2.682 7.846 1.00 0.00 H new ATOM 0 HE ARG A 83 15.332 -5.418 8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.460 -2.677 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.849 -3.387 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.122 -6.281 9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.658 -5.408 9.359 1.00 0.00 H new ATOM 1308 N PHE A 84 11.829 -4.569 3.212 1.00 0.00 N ATOM 1309 CA PHE A 84 11.883 -5.655 2.210 1.00 0.00 C ATOM 1310 C PHE A 84 13.029 -5.473 1.215 1.00 0.00 C ATOM 1311 O PHE A 84 13.597 -4.397 1.083 1.00 0.00 O ATOM 1312 CB PHE A 84 10.553 -5.705 1.419 1.00 0.00 C ATOM 1313 CG PHE A 84 9.349 -5.967 2.298 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.068 -7.254 2.726 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.508 -4.930 2.697 1.00 0.00 C ATOM 1316 CE1 PHE A 84 7.991 -7.508 3.524 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.424 -5.190 3.502 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.164 -6.484 3.909 1.00 0.00 C ATOM 0 H PHE A 84 11.929 -3.637 2.809 1.00 0.00 H new ATOM 0 HA PHE A 84 12.048 -6.583 2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.414 -4.760 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.618 -6.485 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.710 -8.068 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.708 -3.919 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.789 -8.517 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.777 -4.384 3.815 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.307 -6.690 4.533 1.00 0.00 H new ATOM 1328 N GLN A 85 13.362 -6.573 0.534 1.00 0.00 N ATOM 1329 CA GLN A 85 14.294 -6.578 -0.606 1.00 0.00 C ATOM 1330 C GLN A 85 13.622 -5.971 -1.857 1.00 0.00 C ATOM 1331 O GLN A 85 14.213 -5.137 -2.547 1.00 0.00 O ATOM 1332 CB GLN A 85 14.788 -8.026 -0.902 1.00 0.00 C ATOM 1333 CG GLN A 85 15.659 -8.672 0.201 1.00 0.00 C ATOM 1334 CD GLN A 85 14.913 -8.957 1.512 1.00 0.00 C ATOM 1335 OE1 GLN A 85 14.886 -8.132 2.426 1.00 0.00 O ATOM 1336 NE2 GLN A 85 14.265 -10.106 1.596 1.00 0.00 N ATOM 0 H GLN A 85 12.991 -7.496 0.758 1.00 0.00 H new ATOM 0 HA GLN A 85 15.157 -5.966 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 85 13.918 -8.660 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.359 -8.014 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.071 -9.607 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.502 -8.015 0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.304 -10.771 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.726 -10.327 2.433 1.00 0.00 H new ATOM 1345 N THR A 86 12.380 -6.409 -2.131 1.00 0.00 N ATOM 1346 CA THR A 86 11.599 -5.979 -3.322 1.00 0.00 C ATOM 1347 C THR A 86 10.125 -5.720 -2.952 1.00 0.00 C ATOM 1348 O THR A 86 9.680 -6.074 -1.851 1.00 0.00 O ATOM 1349 CB THR A 86 11.657 -7.055 -4.466 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.265 -8.340 -3.952 1.00 0.00 O ATOM 1351 CG2 THR A 86 13.053 -7.154 -5.120 1.00 0.00 C ATOM 0 H THR A 86 11.882 -7.072 -1.537 1.00 0.00 H new ATOM 0 HA THR A 86 12.051 -5.054 -3.681 1.00 0.00 H new ATOM 0 HB THR A 86 10.961 -6.735 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.302 -9.005 -4.671 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.035 -7.912 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.321 -6.191 -5.554 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.790 -7.429 -4.365 1.00 0.00 H new ATOM 1359 N LEU A 87 9.378 -5.107 -3.903 1.00 0.00 N ATOM 1360 CA LEU A 87 7.913 -4.931 -3.805 1.00 0.00 C ATOM 1361 C LEU A 87 7.192 -6.296 -3.758 1.00 0.00 C ATOM 1362 O LEU A 87 6.174 -6.421 -3.092 1.00 0.00 O ATOM 1363 CB LEU A 87 7.371 -4.077 -5.000 1.00 0.00 C ATOM 1364 CG LEU A 87 7.531 -2.524 -4.926 1.00 0.00 C ATOM 1365 CD1 LEU A 87 6.812 -1.950 -3.695 1.00 0.00 C ATOM 1366 CD2 LEU A 87 9.003 -2.084 -4.984 1.00 0.00 C ATOM 0 H LEU A 87 9.777 -4.722 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 87 7.707 -4.399 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.867 -4.421 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.310 -4.298 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 87 7.051 -2.110 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.941 -0.868 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.750 -2.188 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.235 -2.387 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.060 -0.997 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.546 -2.519 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.448 -2.424 -5.919 1.00 0.00 H new ATOM 1378 N GLY A 88 7.729 -7.304 -4.473 1.00 0.00 N ATOM 1379 CA GLY A 88 7.198 -8.676 -4.427 1.00 0.00 C ATOM 1380 C GLY A 88 7.097 -9.233 -3.001 1.00 0.00 C ATOM 1381 O GLY A 88 6.064 -9.811 -2.616 1.00 0.00 O ATOM 0 H GLY A 88 8.533 -7.191 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.211 -8.693 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.839 -9.328 -5.021 1.00 0.00 H new ATOM 1385 N GLU A 89 8.155 -9.001 -2.205 1.00 0.00 N ATOM 1386 CA GLU A 89 8.190 -9.371 -0.781 1.00 0.00 C ATOM 1387 C GLU A 89 7.163 -8.536 0.025 1.00 0.00 C ATOM 1388 O GLU A 89 6.522 -9.047 0.952 1.00 0.00 O ATOM 1389 CB GLU A 89 9.625 -9.162 -0.224 1.00 0.00 C ATOM 1390 CG GLU A 89 10.732 -9.951 -0.959 1.00 0.00 C ATOM 1391 CD GLU A 89 10.535 -11.480 -0.915 1.00 0.00 C ATOM 1392 OE1 GLU A 89 10.960 -12.115 0.075 1.00 0.00 O ATOM 1393 OE2 GLU A 89 9.953 -12.049 -1.863 1.00 0.00 O ATOM 0 H GLU A 89 9.010 -8.551 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 89 7.920 -10.422 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.865 -8.100 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.635 -9.446 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.767 -9.628 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.697 -9.705 -0.516 1.00 0.00 H new ATOM 1400 N LEU A 90 7.002 -7.257 -0.372 1.00 0.00 N ATOM 1401 CA LEU A 90 6.100 -6.286 0.286 1.00 0.00 C ATOM 1402 C LEU A 90 4.629 -6.724 0.148 1.00 0.00 C ATOM 1403 O LEU A 90 3.868 -6.657 1.114 1.00 0.00 O ATOM 1404 CB LEU A 90 6.345 -4.862 -0.327 1.00 0.00 C ATOM 1405 CG LEU A 90 5.707 -3.608 0.388 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.453 -2.320 -0.022 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.188 -3.448 0.109 1.00 0.00 C ATOM 0 H LEU A 90 7.501 -6.863 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 90 6.318 -6.248 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.422 -4.703 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.981 -4.877 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 90 5.815 -3.778 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.002 -1.463 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.501 -2.399 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.383 -2.187 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.813 -2.567 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.025 -3.332 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.658 -4.332 0.463 1.00 0.00 H new ATOM 1419 N ILE A 91 4.276 -7.269 -1.022 1.00 0.00 N ATOM 1420 CA ILE A 91 2.866 -7.514 -1.387 1.00 0.00 C ATOM 1421 C ILE A 91 2.428 -8.870 -0.808 1.00 0.00 C ATOM 1422 O ILE A 91 1.302 -9.014 -0.331 1.00 0.00 O ATOM 1423 CB ILE A 91 2.655 -7.477 -2.952 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.097 -6.091 -3.548 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.188 -7.801 -3.345 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.364 -4.870 -3.008 1.00 0.00 C ATOM 0 H ILE A 91 4.946 -7.551 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 91 2.250 -6.719 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 91 3.289 -8.254 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.163 -5.962 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.962 -6.123 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.085 -7.765 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.928 -8.798 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.520 -7.068 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.750 -3.971 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.298 -4.964 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.518 -4.800 -1.931 1.00 0.00 H new ATOM 1438 N GLY A 92 3.375 -9.832 -0.796 1.00 0.00 N ATOM 1439 CA GLY A 92 3.113 -11.187 -0.324 1.00 0.00 C ATOM 1440 C GLY A 92 2.979 -11.271 1.194 1.00 0.00 C ATOM 1441 O GLY A 92 2.064 -11.928 1.710 1.00 0.00 O ATOM 0 H GLY A 92 4.333 -9.682 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.197 -11.557 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.921 -11.842 -0.649 1.00 0.00 H new ATOM 1445 N LEU A 93 3.900 -10.601 1.917 1.00 0.00 N ATOM 1446 CA LEU A 93 3.926 -10.623 3.395 1.00 0.00 C ATOM 1447 C LEU A 93 2.828 -9.726 3.984 1.00 0.00 C ATOM 1448 O LEU A 93 2.302 -10.011 5.061 1.00 0.00 O ATOM 1449 CB LEU A 93 5.316 -10.198 3.944 1.00 0.00 C ATOM 1450 CG LEU A 93 5.547 -10.462 5.471 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.431 -11.968 5.806 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.895 -9.884 5.953 1.00 0.00 C ATOM 0 H LEU A 93 4.639 -10.035 1.499 1.00 0.00 H new ATOM 0 HA LEU A 93 3.735 -11.651 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.086 -10.725 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.453 -9.134 3.752 1.00 0.00 H new ATOM 0 HG LEU A 93 4.758 -9.940 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.596 -12.117 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.436 -12.324 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.179 -12.525 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.019 -10.087 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.710 -10.349 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.910 -8.807 5.785 1.00 0.00 H new ATOM 1464 N TYR A 94 2.500 -8.625 3.293 1.00 0.00 N ATOM 1465 CA TYR A 94 1.375 -7.761 3.699 1.00 0.00 C ATOM 1466 C TYR A 94 0.017 -8.362 3.290 1.00 0.00 C ATOM 1467 O TYR A 94 -1.005 -7.949 3.824 1.00 0.00 O ATOM 1468 CB TYR A 94 1.544 -6.326 3.148 1.00 0.00 C ATOM 1469 CG TYR A 94 2.502 -5.419 3.929 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.584 -5.937 4.635 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.297 -4.038 3.979 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.409 -5.117 5.366 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.131 -3.220 4.708 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.184 -3.768 5.402 1.00 0.00 C ATOM 1475 OH TYR A 94 5.012 -2.966 6.149 1.00 0.00 O ATOM 0 H TYR A 94 2.991 -8.311 2.456 1.00 0.00 H new ATOM 0 HA TYR A 94 1.387 -7.703 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.895 -6.392 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.564 -5.850 3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.778 -6.999 4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.470 -3.604 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.238 -5.539 5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.959 -2.154 4.735 1.00 0.00 H new ATOM 0 HH TYR A 94 4.656 -2.886 7.059 1.00 0.00 H new ATOM 1485 N ALA A 95 0.016 -9.352 2.360 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.199 -10.144 2.014 1.00 0.00 C ATOM 1487 C ALA A 95 -1.630 -11.085 3.168 1.00 0.00 C ATOM 1488 O ALA A 95 -2.629 -11.799 3.055 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.965 -10.952 0.731 1.00 0.00 C ATOM 0 H ALA A 95 0.846 -9.623 1.833 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.010 -9.435 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.862 -11.524 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.739 -10.272 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.128 -11.634 0.878 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.847 -11.085 4.257 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.203 -11.735 5.524 1.00 0.00 C ATOM 1497 C GLN A 96 -1.028 -10.702 6.662 1.00 0.00 C ATOM 1498 O GLN A 96 -0.258 -9.744 6.494 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.336 -13.013 5.772 1.00 0.00 C ATOM 1500 CG GLN A 96 1.179 -12.770 5.974 1.00 0.00 C ATOM 1501 CD GLN A 96 1.991 -14.022 6.359 1.00 0.00 C ATOM 1502 OE1 GLN A 96 2.987 -13.931 7.073 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.596 -15.188 5.861 1.00 0.00 N ATOM 0 H GLN A 96 0.064 -10.627 4.281 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.240 -12.069 5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.723 -13.526 6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.467 -13.688 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.592 -12.356 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.311 -12.016 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.765 -15.235 5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.123 -16.036 6.069 1.00 0.00 H new ATOM 1512 N PRO A 97 -1.808 -10.840 7.789 1.00 0.00 N ATOM 1513 CA PRO A 97 -1.566 -10.143 9.079 1.00 0.00 C ATOM 1514 C PRO A 97 -0.073 -9.800 9.372 1.00 0.00 C ATOM 1515 O PRO A 97 0.737 -10.678 9.681 1.00 0.00 O ATOM 1516 CB PRO A 97 -2.121 -11.183 10.067 1.00 0.00 C ATOM 1517 CG PRO A 97 -3.333 -11.750 9.370 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.067 -11.635 7.873 1.00 0.00 C ATOM 0 HA PRO A 97 -2.028 -9.157 9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.386 -11.959 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.388 -10.724 11.019 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.494 -12.789 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.232 -11.200 9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.951 -12.616 7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.889 -11.136 7.359 1.00 0.00 H new ATOM 1526 N ASN A 98 0.265 -8.515 9.196 1.00 0.00 N ATOM 1527 CA ASN A 98 1.639 -8.003 9.360 1.00 0.00 C ATOM 1528 C ASN A 98 1.787 -7.193 10.653 1.00 0.00 C ATOM 1529 O ASN A 98 2.806 -7.352 11.343 1.00 0.00 O ATOM 1530 CB ASN A 98 2.038 -7.157 8.131 1.00 0.00 C ATOM 1531 CG ASN A 98 3.456 -6.584 8.225 1.00 0.00 C ATOM 1532 OD1 ASN A 98 4.422 -7.231 7.832 1.00 0.00 O ATOM 1533 ND2 ASN A 98 3.589 -5.362 8.742 1.00 0.00 N ATOM 0 H ASN A 98 -0.409 -7.795 8.934 1.00 0.00 H new ATOM 0 HA ASN A 98 2.313 -8.856 9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.961 -7.772 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.329 -6.337 8.017 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.514 -4.939 8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.766 -4.850 9.060 1.00 0.00 H new ATOM 1540 N GLN A 99 0.778 -6.304 10.905 1.00 0.00 N ATOM 1541 CA GLN A 99 0.666 -5.325 12.035 1.00 0.00 C ATOM 1542 C GLN A 99 0.886 -3.910 11.482 1.00 0.00 C ATOM 1543 O GLN A 99 1.970 -3.598 10.970 1.00 0.00 O ATOM 1544 CB GLN A 99 1.576 -5.578 13.278 1.00 0.00 C ATOM 1545 CG GLN A 99 1.162 -6.775 14.160 1.00 0.00 C ATOM 1546 CD GLN A 99 2.214 -7.159 15.206 1.00 0.00 C ATOM 1547 OE1 GLN A 99 1.881 -7.571 16.316 1.00 0.00 O ATOM 1548 NE2 GLN A 99 3.492 -7.089 14.844 1.00 0.00 N ATOM 0 H GLN A 99 -0.030 -6.248 10.285 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.340 -5.459 12.434 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.598 -5.736 12.934 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.582 -4.678 13.893 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.228 -6.536 14.668 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.966 -7.636 13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.741 -6.743 13.917 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.223 -7.381 15.493 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.167 -3.078 11.567 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.176 -1.717 11.013 1.00 0.00 C ATOM 1559 C GLY A 100 -1.099 -1.591 9.802 1.00 0.00 C ATOM 1560 O GLY A 100 -1.384 -0.483 9.348 1.00 0.00 O ATOM 0 H GLY A 100 -1.041 -3.335 12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.494 -1.015 11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.837 -1.437 10.725 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.530 -2.749 9.261 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.433 -2.835 8.094 1.00 0.00 C ATOM 1566 C LEU A 101 -3.915 -2.715 8.509 1.00 0.00 C ATOM 1567 O LEU A 101 -4.339 -3.289 9.514 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.185 -4.166 7.313 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.927 -4.229 6.384 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.081 -3.271 5.182 1.00 0.00 C ATOM 1571 CD2 LEU A 101 0.383 -3.969 7.162 1.00 0.00 C ATOM 0 H LEU A 101 -1.258 -3.662 9.626 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.209 -1.994 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.108 -4.974 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.065 -4.368 6.703 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.858 -5.244 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.194 -3.333 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.959 -3.554 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.198 -2.249 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.229 -4.023 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.346 -2.979 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.499 -4.722 7.942 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.682 -1.958 7.699 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.123 -1.737 7.887 1.00 0.00 C ATOM 1585 C VAL A 102 -6.937 -3.058 7.831 1.00 0.00 C ATOM 1586 O VAL A 102 -7.908 -3.229 8.581 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.646 -0.685 6.829 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.460 -1.168 5.366 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -8.103 -0.267 7.117 1.00 0.00 C ATOM 0 H VAL A 102 -4.307 -1.476 6.882 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.274 -1.333 8.888 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.024 0.204 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.836 -0.408 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.401 -1.340 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.012 -2.096 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.428 0.457 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.748 -1.145 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.163 0.183 8.108 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.502 -3.997 6.963 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.176 -5.303 6.769 1.00 0.00 C ATOM 1601 C CYS A 103 -6.263 -6.305 6.038 1.00 0.00 C ATOM 1602 O CYS A 103 -6.752 -7.344 5.571 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.456 -5.089 5.935 1.00 0.00 C ATOM 1604 SG CYS A 103 -8.130 -4.435 4.280 1.00 0.00 S ATOM 0 H CYS A 103 -5.676 -3.873 6.378 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.417 -5.712 7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.986 -6.037 5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.117 -4.403 6.466 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.235 -3.980 3.768 1.00 0.00 H new ATOM 1610 N ALA A 104 -4.951 -5.970 5.950 1.00 0.00 N ATOM 1611 CA ALA A 104 -3.962 -6.640 5.067 1.00 0.00 C ATOM 1612 C ALA A 104 -4.199 -6.212 3.593 1.00 0.00 C ATOM 1613 O ALA A 104 -5.116 -5.428 3.295 1.00 0.00 O ATOM 1614 CB ALA A 104 -3.928 -8.184 5.250 1.00 0.00 C ATOM 0 H ALA A 104 -4.544 -5.214 6.500 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.967 -6.307 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.186 -8.614 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.665 -8.423 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.909 -8.599 5.021 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.342 -6.687 2.683 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.440 -6.385 1.247 1.00 0.00 C ATOM 1622 C LEU A 105 -4.260 -7.491 0.562 1.00 0.00 C ATOM 1623 O LEU A 105 -3.839 -8.647 0.533 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.020 -6.252 0.618 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.118 -5.088 1.155 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.131 -4.882 0.264 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.903 -3.775 1.346 1.00 0.00 C ATOM 0 H LEU A 105 -2.557 -7.294 2.920 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.946 -5.430 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.490 -7.192 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.135 -6.124 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.772 -5.389 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.734 -4.067 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.722 -5.798 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.182 -4.636 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.232 -3.001 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.324 -3.461 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.709 -3.934 2.063 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.450 -7.125 0.049 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.430 -8.085 -0.509 1.00 0.00 C ATOM 1641 C LEU A 106 -6.515 -7.991 -2.048 1.00 0.00 C ATOM 1642 O LEU A 106 -6.172 -8.949 -2.752 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.821 -7.824 0.140 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.986 -8.779 -0.282 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -8.673 -10.248 0.083 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.333 -8.310 0.323 1.00 0.00 C ATOM 0 H LEU A 106 -5.762 -6.155 0.008 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.099 -9.097 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.708 -7.884 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.118 -6.802 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.080 -8.734 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.503 -10.884 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.764 -10.565 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.530 -10.333 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.127 -8.990 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.261 -8.305 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.560 -7.304 -0.030 1.00 0.00 H new ATOM 1658 N LEU A 107 -6.950 -6.824 -2.566 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.285 -6.650 -3.996 1.00 0.00 C ATOM 1660 C LEU A 107 -6.315 -5.611 -4.616 1.00 0.00 C ATOM 1661 O LEU A 107 -6.468 -4.416 -4.371 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.791 -6.215 -4.147 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.484 -6.475 -5.545 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -11.018 -6.319 -5.439 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -8.934 -5.569 -6.682 1.00 0.00 C ATOM 0 H LEU A 107 -7.079 -5.979 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.166 -7.592 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.370 -6.732 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.858 -5.149 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.241 -7.503 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.471 -6.503 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.408 -7.036 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.259 -5.308 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.452 -5.799 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.097 -4.523 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.866 -5.749 -6.807 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.286 -6.052 -5.413 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.398 -5.122 -6.162 1.00 0.00 C ATOM 1679 C PRO A 108 -5.128 -4.511 -7.374 1.00 0.00 C ATOM 1680 O PRO A 108 -5.581 -5.248 -8.267 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.225 -6.036 -6.589 1.00 0.00 C ATOM 1682 CG PRO A 108 -3.822 -7.408 -6.691 1.00 0.00 C ATOM 1683 CD PRO A 108 -4.902 -7.473 -5.628 1.00 0.00 C ATOM 0 HA PRO A 108 -4.071 -4.263 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -2.802 -5.717 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.417 -6.010 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.240 -7.579 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.066 -8.176 -6.527 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.752 -8.070 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.531 -7.929 -4.710 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.267 -3.175 -7.403 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.028 -2.460 -8.436 1.00 0.00 C ATOM 1693 C VAL A 109 -5.022 -1.742 -9.376 1.00 0.00 C ATOM 1694 O VAL A 109 -4.337 -0.812 -8.902 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.012 -1.409 -7.767 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.970 -0.798 -8.813 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -7.802 -2.036 -6.584 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.902 -2.119 -10.561 1.00 0.00 O ATOM 0 H VAL A 109 -4.851 -2.559 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.631 -3.164 -9.009 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.400 -0.603 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.632 -0.082 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.391 -0.290 -9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.564 -1.590 -9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.465 -1.287 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.393 -2.877 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.103 -2.384 -5.824 1.00 0.00 H new