USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 641 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 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.833 X(o=-0.83,f=-0.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -2.66! (180deg=-3.59!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -47:sc= -0.802! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0.263 (180deg=0.166) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= -0.604 (180deg=-2.64!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 148:sc= -4.1 (180deg=-8.43!) USER MOD Single : A 84 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 12.353 -0.039 19.068 1.00 62.24 N ATOM 165 CA ARG A 12 11.863 -0.769 20.230 1.00 31.43 C ATOM 166 C ARG A 12 11.293 0.188 21.273 1.00 73.13 C ATOM 167 O ARG A 12 10.242 -0.072 21.858 1.00 2.14 O ATOM 168 CB ARG A 12 12.988 -1.602 20.848 1.00 1.31 C ATOM 169 CG ARG A 12 13.322 -2.856 20.058 1.00 61.34 C ATOM 170 CD ARG A 12 14.609 -3.499 20.551 1.00 60.14 C ATOM 171 NE ARG A 12 15.199 -4.381 19.548 1.00 62.44 N ATOM 172 CZ ARG A 12 15.834 -3.944 18.466 1.00 41.40 C ATOM 173 NH1 ARG A 12 15.961 -2.642 18.249 1.00 54.21 N ATOM 174 NH2 ARG A 12 16.344 -4.809 17.599 1.00 44.20 N ATOM 0 HA ARG A 12 11.066 -1.435 19.899 1.00 31.43 H new ATOM 0 HB2 ARG A 12 13.883 -0.985 20.929 1.00 1.31 H new ATOM 0 HB3 ARG A 12 12.704 -1.886 21.861 1.00 1.31 H new ATOM 0 HG2 ARG A 12 12.502 -3.569 20.142 1.00 61.34 H new ATOM 0 HG3 ARG A 12 13.420 -2.606 19.002 1.00 61.34 H new ATOM 0 HD2 ARG A 12 15.325 -2.721 20.815 1.00 60.14 H new ATOM 0 HD3 ARG A 12 14.406 -4.067 21.459 1.00 60.14 H new ATOM 0 HE ARG A 12 15.119 -5.389 19.686 1.00 62.44 H new ATOM 0 HH11 ARG A 12 15.571 -1.974 18.914 1.00 54.21 H new ATOM 0 HH12 ARG A 12 16.449 -2.309 17.418 1.00 54.21 H new ATOM 0 HH21 ARG A 12 16.249 -5.811 17.763 1.00 44.20 H new ATOM 0 HH22 ARG A 12 16.831 -4.472 16.769 1.00 44.20 H new ATOM 188 N GLU A 13 11.994 1.295 21.499 1.00 74.34 N ATOM 189 CA GLU A 13 11.557 2.289 22.471 1.00 1.44 C ATOM 190 C GLU A 13 10.210 2.885 22.073 1.00 33.03 C ATOM 191 O GLU A 13 9.542 3.531 22.880 1.00 1.22 O ATOM 192 CB GLU A 13 12.600 3.401 22.600 1.00 4.25 C ATOM 193 CG GLU A 13 13.901 2.944 23.240 1.00 13.42 C ATOM 194 CD GLU A 13 14.859 4.091 23.497 1.00 41.13 C ATOM 195 OE1 GLU A 13 14.497 5.246 23.190 1.00 53.34 O ATOM 196 OE2 GLU A 13 15.971 3.834 24.004 1.00 73.02 O ATOM 0 H GLU A 13 12.866 1.525 21.022 1.00 74.34 H new ATOM 0 HA GLU A 13 11.444 1.792 23.434 1.00 1.44 H new ATOM 0 HB2 GLU A 13 12.814 3.804 21.610 1.00 4.25 H new ATOM 0 HB3 GLU A 13 12.180 4.215 23.191 1.00 4.25 H new ATOM 0 HG2 GLU A 13 13.681 2.441 24.182 1.00 13.42 H new ATOM 0 HG3 GLU A 13 14.383 2.211 22.592 1.00 13.42 H new ATOM 203 N ALA A 14 9.817 2.663 20.823 1.00 23.42 N ATOM 204 CA ALA A 14 8.550 3.175 20.318 1.00 51.33 C ATOM 205 C ALA A 14 7.383 2.312 20.784 1.00 30.24 C ATOM 206 O ALA A 14 6.312 2.823 21.114 1.00 72.10 O ATOM 207 CB ALA A 14 8.579 3.250 18.798 1.00 2.03 C ATOM 0 H ALA A 14 10.359 2.132 20.141 1.00 23.42 H new ATOM 0 HA ALA A 14 8.408 4.179 20.718 1.00 51.33 H new ATOM 0 HB1 ALA A 14 7.626 3.634 18.434 1.00 2.03 H new ATOM 0 HB2 ALA A 14 9.383 3.915 18.482 1.00 2.03 H new ATOM 0 HB3 ALA A 14 8.749 2.255 18.388 1.00 2.03 H new ATOM 213 N LEU A 15 7.596 1.001 20.810 1.00 63.13 N ATOM 214 CA LEU A 15 6.561 0.065 21.236 1.00 43.33 C ATOM 215 C LEU A 15 6.211 0.273 22.706 1.00 52.44 C ATOM 216 O LEU A 15 5.046 0.184 23.096 1.00 51.22 O ATOM 217 CB LEU A 15 7.023 -1.375 21.009 1.00 64.22 C ATOM 218 CG LEU A 15 7.943 -1.962 22.080 1.00 1.34 C ATOM 219 CD1 LEU A 15 7.130 -2.680 23.146 1.00 24.22 C ATOM 220 CD2 LEU A 15 8.958 -2.907 21.453 1.00 13.33 C ATOM 0 H LEU A 15 8.476 0.562 20.541 1.00 63.13 H new ATOM 0 HA LEU A 15 5.669 0.252 20.639 1.00 43.33 H new ATOM 0 HB2 LEU A 15 6.141 -2.010 20.929 1.00 64.22 H new ATOM 0 HB3 LEU A 15 7.538 -1.423 20.050 1.00 64.22 H new ATOM 0 HG LEU A 15 8.485 -1.144 22.555 1.00 1.34 H new ATOM 0 HD11 LEU A 15 7.801 -3.091 23.900 1.00 24.22 H new ATOM 0 HD12 LEU A 15 6.444 -1.976 23.616 1.00 24.22 H new ATOM 0 HD13 LEU A 15 6.561 -3.488 22.687 1.00 24.22 H new ATOM 0 HD21 LEU A 15 9.604 -3.315 22.230 1.00 13.33 H new ATOM 0 HD22 LEU A 15 8.435 -3.721 20.951 1.00 13.33 H new ATOM 0 HD23 LEU A 15 9.563 -2.362 20.728 1.00 13.33 H new ATOM 232 N LEU A 16 7.225 0.553 23.516 1.00 22.04 N ATOM 233 CA LEU A 16 7.025 0.777 24.944 1.00 74.41 C ATOM 234 C LEU A 16 6.337 2.115 25.194 1.00 2.01 C ATOM 235 O LEU A 16 5.629 2.284 26.187 1.00 51.14 O ATOM 236 CB LEU A 16 8.365 0.733 25.680 1.00 34.03 C ATOM 237 CG LEU A 16 9.318 1.898 25.409 1.00 34.34 C ATOM 238 CD1 LEU A 16 8.868 3.141 26.160 1.00 11.25 C ATOM 239 CD2 LEU A 16 10.741 1.524 25.797 1.00 33.42 C ATOM 0 H LEU A 16 8.195 0.631 23.209 1.00 22.04 H new ATOM 0 HA LEU A 16 6.383 -0.017 25.325 1.00 74.41 H new ATOM 0 HB2 LEU A 16 8.167 0.693 26.751 1.00 34.03 H new ATOM 0 HB3 LEU A 16 8.872 -0.195 25.415 1.00 34.03 H new ATOM 0 HG LEU A 16 9.299 2.117 24.341 1.00 34.34 H new ATOM 0 HD11 LEU A 16 9.558 3.960 25.955 1.00 11.25 H new ATOM 0 HD12 LEU A 16 7.866 3.421 25.834 1.00 11.25 H new ATOM 0 HD13 LEU A 16 8.857 2.935 27.230 1.00 11.25 H new ATOM 0 HD21 LEU A 16 11.405 2.365 25.597 1.00 33.42 H new ATOM 0 HD22 LEU A 16 10.776 1.278 26.858 1.00 33.42 H new ATOM 0 HD23 LEU A 16 11.062 0.661 25.214 1.00 33.42 H new ATOM 251 N TRP A 17 6.549 3.062 24.287 1.00 24.41 N ATOM 252 CA TRP A 17 5.948 4.385 24.409 1.00 62.15 C ATOM 253 C TRP A 17 4.461 4.340 24.074 1.00 23.13 C ATOM 254 O TRP A 17 3.669 5.106 24.622 1.00 43.20 O ATOM 255 CB TRP A 17 6.661 5.378 23.489 1.00 75.35 C ATOM 256 CG TRP A 17 6.858 6.727 24.110 1.00 12.21 C ATOM 257 CD1 TRP A 17 7.640 7.026 25.189 1.00 14.12 C ATOM 258 CD2 TRP A 17 6.261 7.959 23.690 1.00 5.34 C ATOM 259 NE1 TRP A 17 7.565 8.370 25.466 1.00 41.03 N ATOM 260 CE2 TRP A 17 6.727 8.965 24.560 1.00 30.12 C ATOM 261 CE3 TRP A 17 5.381 8.311 22.664 1.00 45.54 C ATOM 262 CZ2 TRP A 17 6.340 10.296 24.433 1.00 11.22 C ATOM 263 CZ3 TRP A 17 4.998 9.633 22.539 1.00 1.21 C ATOM 264 CH2 TRP A 17 5.477 10.613 23.419 1.00 24.31 C ATOM 0 H TRP A 17 7.132 2.938 23.459 1.00 24.41 H new ATOM 0 HA TRP A 17 6.059 4.714 25.442 1.00 62.15 H new ATOM 0 HB2 TRP A 17 7.632 4.970 23.209 1.00 75.35 H new ATOM 0 HB3 TRP A 17 6.085 5.489 22.570 1.00 75.35 H new ATOM 0 HD1 TRP A 17 8.230 6.311 25.743 1.00 14.12 H new ATOM 0 HE1 TRP A 17 8.054 8.847 26.223 1.00 41.03 H new ATOM 0 HE3 TRP A 17 5.007 7.563 21.980 1.00 45.54 H new ATOM 0 HZ2 TRP A 17 6.708 11.052 25.111 1.00 11.22 H new ATOM 0 HZ3 TRP A 17 4.318 9.916 21.749 1.00 1.21 H new ATOM 0 HH2 TRP A 17 5.159 11.638 23.295 1.00 24.31 H new ATOM 275 N ALA A 18 4.089 3.437 23.173 1.00 52.55 N ATOM 276 CA ALA A 18 2.696 3.292 22.768 1.00 62.23 C ATOM 277 C ALA A 18 1.879 2.597 23.852 1.00 40.42 C ATOM 278 O ALA A 18 0.862 3.121 24.309 1.00 50.25 O ATOM 279 CB ALA A 18 2.605 2.520 21.460 1.00 52.25 C ATOM 0 H ALA A 18 4.732 2.795 22.710 1.00 52.55 H new ATOM 0 HA ALA A 18 2.281 4.289 22.619 1.00 62.23 H new ATOM 0 HB1 ALA A 18 1.559 2.419 21.169 1.00 52.25 H new ATOM 0 HB2 ALA A 18 3.148 3.057 20.682 1.00 52.25 H new ATOM 0 HB3 ALA A 18 3.043 1.530 21.590 1.00 52.25 H new ATOM 285 N LEU A 19 2.329 1.416 24.260 1.00 71.14 N ATOM 286 CA LEU A 19 1.639 0.649 25.291 1.00 74.44 C ATOM 287 C LEU A 19 1.406 1.497 26.537 1.00 51.04 C ATOM 288 O LEU A 19 0.449 1.277 27.280 1.00 44.23 O ATOM 289 CB LEU A 19 2.447 -0.599 25.653 1.00 54.24 C ATOM 290 CG LEU A 19 3.902 -0.362 26.058 1.00 51.33 C ATOM 291 CD1 LEU A 19 3.984 0.118 27.499 1.00 75.53 C ATOM 292 CD2 LEU A 19 4.722 -1.630 25.868 1.00 13.42 C ATOM 0 H LEU A 19 3.169 0.968 23.893 1.00 71.14 H new ATOM 0 HA LEU A 19 0.670 0.345 24.895 1.00 74.44 H new ATOM 0 HB2 LEU A 19 1.941 -1.110 26.472 1.00 54.24 H new ATOM 0 HB3 LEU A 19 2.434 -1.276 24.799 1.00 54.24 H new ATOM 0 HG LEU A 19 4.316 0.414 25.415 1.00 51.33 H new ATOM 0 HD11 LEU A 19 5.027 0.281 27.769 1.00 75.53 H new ATOM 0 HD12 LEU A 19 3.432 1.052 27.603 1.00 75.53 H new ATOM 0 HD13 LEU A 19 3.552 -0.635 28.158 1.00 75.53 H new ATOM 0 HD21 LEU A 19 5.755 -1.443 26.161 1.00 13.42 H new ATOM 0 HD22 LEU A 19 4.308 -2.427 26.486 1.00 13.42 H new ATOM 0 HD23 LEU A 19 4.691 -1.930 24.821 1.00 13.42 H new ATOM 304 N SER A 20 2.286 2.468 26.758 1.00 52.53 N ATOM 305 CA SER A 20 2.177 3.349 27.915 1.00 42.44 C ATOM 306 C SER A 20 1.288 4.549 27.602 1.00 13.03 C ATOM 307 O SER A 20 0.799 5.226 28.507 1.00 23.03 O ATOM 308 CB SER A 20 3.564 3.828 28.350 1.00 74.21 C ATOM 309 OG SER A 20 3.625 5.243 28.391 1.00 22.11 O ATOM 0 H SER A 20 3.082 2.665 26.151 1.00 52.53 H new ATOM 0 HA SER A 20 1.723 2.784 28.729 1.00 42.44 H new ATOM 0 HB2 SER A 20 3.800 3.422 29.334 1.00 74.21 H new ATOM 0 HB3 SER A 20 4.317 3.448 27.659 1.00 74.21 H new ATOM 0 HG SER A 20 4.520 5.524 28.673 1.00 22.11 H new ATOM 315 N ASP A 21 1.082 4.806 26.315 1.00 22.23 N ATOM 316 CA ASP A 21 0.251 5.923 25.882 1.00 71.24 C ATOM 317 C ASP A 21 -1.213 5.679 26.233 1.00 74.21 C ATOM 318 O ASP A 21 -1.942 6.608 26.582 1.00 54.31 O ATOM 319 CB ASP A 21 0.397 6.140 24.375 1.00 44.51 C ATOM 320 CG ASP A 21 0.647 7.593 24.021 1.00 1.54 C ATOM 321 OD1 ASP A 21 0.179 8.476 24.771 1.00 31.23 O ATOM 322 OD2 ASP A 21 1.311 7.848 22.995 1.00 3.33 O ATOM 0 H ASP A 21 1.479 4.256 25.553 1.00 22.23 H new ATOM 0 HA ASP A 21 0.587 6.818 26.405 1.00 71.24 H new ATOM 0 HB2 ASP A 21 1.220 5.531 24.001 1.00 44.51 H new ATOM 0 HB3 ASP A 21 -0.507 5.797 23.872 1.00 44.51 H new ATOM 327 N LEU A 22 -1.638 4.424 26.137 1.00 31.23 N ATOM 328 CA LEU A 22 -3.016 4.057 26.444 1.00 14.00 C ATOM 329 C LEU A 22 -3.224 3.932 27.950 1.00 54.01 C ATOM 330 O LEU A 22 -2.269 3.753 28.705 1.00 53.12 O ATOM 331 CB LEU A 22 -3.379 2.740 25.756 1.00 34.34 C ATOM 332 CG LEU A 22 -2.228 1.758 25.536 1.00 20.12 C ATOM 333 CD1 LEU A 22 -2.690 0.330 25.780 1.00 73.21 C ATOM 334 CD2 LEU A 22 -1.663 1.905 24.131 1.00 40.11 C ATOM 0 H LEU A 22 -1.048 3.643 25.849 1.00 31.23 H new ATOM 0 HA LEU A 22 -3.668 4.847 26.071 1.00 14.00 H new ATOM 0 HB2 LEU A 22 -4.146 2.243 26.350 1.00 34.34 H new ATOM 0 HB3 LEU A 22 -3.824 2.970 24.788 1.00 34.34 H new ATOM 0 HG LEU A 22 -1.438 1.989 26.250 1.00 20.12 H new ATOM 0 HD11 LEU A 22 -1.857 -0.354 25.619 1.00 73.21 H new ATOM 0 HD12 LEU A 22 -3.046 0.233 26.806 1.00 73.21 H new ATOM 0 HD13 LEU A 22 -3.499 0.086 25.091 1.00 73.21 H new ATOM 0 HD21 LEU A 22 -0.845 1.198 23.992 1.00 40.11 H new ATOM 0 HD22 LEU A 22 -2.446 1.701 23.401 1.00 40.11 H new ATOM 0 HD23 LEU A 22 -1.293 2.921 23.992 1.00 40.11 H new ATOM 346 N GLU A 23 -4.479 4.026 28.379 1.00 73.44 N ATOM 347 CA GLU A 23 -4.812 3.921 29.795 1.00 42.44 C ATOM 348 C GLU A 23 -4.578 2.503 30.305 1.00 20.44 C ATOM 349 O GLU A 23 -4.579 1.546 29.532 1.00 61.14 O ATOM 350 CB GLU A 23 -6.268 4.327 30.030 1.00 34.53 C ATOM 351 CG GLU A 23 -6.515 5.819 29.889 1.00 15.14 C ATOM 352 CD GLU A 23 -7.853 6.131 29.247 1.00 32.10 C ATOM 353 OE1 GLU A 23 -8.246 5.401 28.313 1.00 52.44 O ATOM 354 OE2 GLU A 23 -8.507 7.104 29.678 1.00 24.30 O ATOM 0 H GLU A 23 -5.281 4.175 27.767 1.00 73.44 H new ATOM 0 HA GLU A 23 -4.160 4.598 30.347 1.00 42.44 H new ATOM 0 HB2 GLU A 23 -6.903 3.794 29.323 1.00 34.53 H new ATOM 0 HB3 GLU A 23 -6.568 4.011 31.029 1.00 34.53 H new ATOM 0 HG2 GLU A 23 -6.471 6.285 30.873 1.00 15.14 H new ATOM 0 HG3 GLU A 23 -5.718 6.261 29.291 1.00 15.14 H new ATOM 361 N GLU A 24 -4.378 2.376 31.614 1.00 45.45 N ATOM 362 CA GLU A 24 -4.141 1.075 32.227 1.00 1.03 C ATOM 363 C GLU A 24 -5.346 0.158 32.040 1.00 32.03 C ATOM 364 O GLU A 24 -5.200 -1.055 31.900 1.00 72.43 O ATOM 365 CB GLU A 24 -3.836 1.237 33.718 1.00 51.20 C ATOM 366 CG GLU A 24 -4.914 1.989 34.481 1.00 24.02 C ATOM 367 CD GLU A 24 -6.051 1.089 34.924 1.00 61.15 C ATOM 368 OE1 GLU A 24 -5.777 -0.061 35.324 1.00 25.42 O ATOM 369 OE2 GLU A 24 -7.216 1.536 34.869 1.00 61.20 O ATOM 0 H GLU A 24 -4.376 3.158 32.269 1.00 45.45 H new ATOM 0 HA GLU A 24 -3.281 0.621 31.735 1.00 1.03 H new ATOM 0 HB2 GLU A 24 -3.708 0.250 34.164 1.00 51.20 H new ATOM 0 HB3 GLU A 24 -2.888 1.763 33.831 1.00 51.20 H new ATOM 0 HG2 GLU A 24 -4.470 2.464 35.356 1.00 24.02 H new ATOM 0 HG3 GLU A 24 -5.310 2.786 33.852 1.00 24.02 H new ATOM 376 N ASN A 25 -6.537 0.748 32.040 1.00 10.25 N ATOM 377 CA ASN A 25 -7.768 -0.015 31.872 1.00 14.11 C ATOM 378 C ASN A 25 -7.931 -0.473 30.426 1.00 52.52 C ATOM 379 O ASN A 25 -8.925 -1.107 30.073 1.00 74.21 O ATOM 380 CB ASN A 25 -8.976 0.826 32.292 1.00 44.13 C ATOM 381 CG ASN A 25 -9.025 2.164 31.578 1.00 25.55 C ATOM 382 OD1 ASN A 25 -9.472 2.254 30.435 1.00 33.13 O ATOM 383 ND2 ASN A 25 -8.562 3.210 32.252 1.00 13.42 N ATOM 0 H ASN A 25 -6.675 1.752 32.154 1.00 10.25 H new ATOM 0 HA ASN A 25 -7.709 -0.897 32.509 1.00 14.11 H new ATOM 0 HB2 ASN A 25 -9.891 0.272 32.083 1.00 44.13 H new ATOM 0 HB3 ASN A 25 -8.943 0.993 33.369 1.00 44.13 H new ATOM 0 HD21 ASN A 25 -8.568 4.136 31.824 1.00 13.42 H new ATOM 0 HD22 ASN A 25 -8.201 3.088 33.198 1.00 13.42 H new ATOM 390 N ASP A 26 -6.948 -0.147 29.594 1.00 53.52 N ATOM 391 CA ASP A 26 -6.981 -0.525 28.186 1.00 71.21 C ATOM 392 C ASP A 26 -5.908 -1.565 27.878 1.00 51.23 C ATOM 393 O ASP A 26 -6.204 -2.645 27.365 1.00 11.44 O ATOM 394 CB ASP A 26 -6.785 0.706 27.300 1.00 53.01 C ATOM 395 CG ASP A 26 -7.959 1.663 27.371 1.00 71.12 C ATOM 396 OD1 ASP A 26 -9.028 1.256 27.873 1.00 24.42 O ATOM 397 OD2 ASP A 26 -7.809 2.819 26.925 1.00 41.43 O ATOM 0 H ASP A 26 -6.118 0.378 29.870 1.00 53.52 H new ATOM 0 HA ASP A 26 -7.957 -0.962 27.975 1.00 71.21 H new ATOM 0 HB2 ASP A 26 -5.877 1.227 27.602 1.00 53.01 H new ATOM 0 HB3 ASP A 26 -6.641 0.388 26.267 1.00 53.01 H new ATOM 402 N PHE A 27 -4.661 -1.231 28.192 1.00 22.52 N ATOM 403 CA PHE A 27 -3.543 -2.135 27.947 1.00 21.30 C ATOM 404 C PHE A 27 -3.712 -3.434 28.730 1.00 4.12 C ATOM 405 O PHE A 27 -3.391 -4.516 28.238 1.00 52.13 O ATOM 406 CB PHE A 27 -2.223 -1.463 28.330 1.00 23.31 C ATOM 407 CG PHE A 27 -1.466 -2.195 29.402 1.00 74.23 C ATOM 408 CD1 PHE A 27 -0.550 -3.180 29.071 1.00 24.23 C ATOM 409 CD2 PHE A 27 -1.672 -1.898 30.739 1.00 2.22 C ATOM 410 CE1 PHE A 27 0.147 -3.856 30.056 1.00 50.45 C ATOM 411 CE2 PHE A 27 -0.978 -2.570 31.728 1.00 43.41 C ATOM 412 CZ PHE A 27 -0.066 -3.549 31.385 1.00 34.14 C ATOM 0 H PHE A 27 -4.399 -0.341 28.617 1.00 22.52 H new ATOM 0 HA PHE A 27 -3.526 -2.372 26.883 1.00 21.30 H new ATOM 0 HB2 PHE A 27 -1.595 -1.383 27.443 1.00 23.31 H new ATOM 0 HB3 PHE A 27 -2.427 -0.447 28.669 1.00 23.31 H new ATOM 0 HD1 PHE A 27 -0.378 -3.423 28.033 1.00 24.23 H new ATOM 0 HD2 PHE A 27 -2.383 -1.132 31.012 1.00 2.22 H new ATOM 0 HE1 PHE A 27 0.857 -4.623 29.786 1.00 50.45 H new ATOM 0 HE2 PHE A 27 -1.149 -2.330 32.767 1.00 43.41 H new ATOM 0 HZ PHE A 27 0.480 -4.074 32.155 1.00 34.14 H new ATOM 422 N LYS A 28 -4.217 -3.318 29.954 1.00 64.52 N ATOM 423 CA LYS A 28 -4.429 -4.481 30.807 1.00 35.50 C ATOM 424 C LYS A 28 -5.497 -5.399 30.220 1.00 61.24 C ATOM 425 O LYS A 28 -5.351 -6.622 30.226 1.00 53.35 O ATOM 426 CB LYS A 28 -4.840 -4.040 32.214 1.00 44.54 C ATOM 427 CG LYS A 28 -5.204 -5.193 33.132 1.00 61.43 C ATOM 428 CD LYS A 28 -5.807 -4.699 34.436 1.00 62.30 C ATOM 429 CE LYS A 28 -7.320 -4.850 34.443 1.00 54.44 C ATOM 430 NZ LYS A 28 -7.796 -5.616 35.627 1.00 35.22 N ATOM 0 H LYS A 28 -4.487 -2.430 30.377 1.00 64.52 H new ATOM 0 HA LYS A 28 -3.491 -5.033 30.865 1.00 35.50 H new ATOM 0 HB2 LYS A 28 -4.022 -3.475 32.662 1.00 44.54 H new ATOM 0 HB3 LYS A 28 -5.692 -3.364 32.139 1.00 44.54 H new ATOM 0 HG2 LYS A 28 -5.913 -5.850 32.628 1.00 61.43 H new ATOM 0 HG3 LYS A 28 -4.314 -5.786 33.343 1.00 61.43 H new ATOM 0 HD2 LYS A 28 -5.381 -5.257 35.270 1.00 62.30 H new ATOM 0 HD3 LYS A 28 -5.544 -3.652 34.586 1.00 62.30 H new ATOM 0 HE2 LYS A 28 -7.783 -3.863 34.439 1.00 54.44 H new ATOM 0 HE3 LYS A 28 -7.639 -5.356 33.531 1.00 54.44 H new ATOM 0 HZ1 LYS A 28 -8.832 -5.697 35.595 1.00 35.22 H new ATOM 0 HZ2 LYS A 28 -7.374 -6.567 35.618 1.00 35.22 H new ATOM 0 HZ3 LYS A 28 -7.515 -5.121 36.497 1.00 35.22 H new ATOM 444 N LYS A 29 -6.570 -4.802 29.711 1.00 24.04 N ATOM 445 CA LYS A 29 -7.661 -5.565 29.117 1.00 1.31 C ATOM 446 C LYS A 29 -7.142 -6.499 28.028 1.00 13.34 C ATOM 447 O LYS A 29 -7.617 -7.626 27.886 1.00 62.43 O ATOM 448 CB LYS A 29 -8.713 -4.619 28.534 1.00 51.22 C ATOM 449 CG LYS A 29 -10.043 -4.661 29.267 1.00 64.52 C ATOM 450 CD LYS A 29 -9.890 -4.257 30.723 1.00 4.24 C ATOM 451 CE LYS A 29 -11.200 -3.744 31.300 1.00 13.11 C ATOM 452 NZ LYS A 29 -12.008 -4.841 31.902 1.00 52.50 N ATOM 0 H LYS A 29 -6.707 -3.791 29.698 1.00 24.04 H new ATOM 0 HA LYS A 29 -8.118 -6.169 29.901 1.00 1.31 H new ATOM 0 HB2 LYS A 29 -8.326 -3.600 28.558 1.00 51.22 H new ATOM 0 HB3 LYS A 29 -8.877 -4.873 27.487 1.00 51.22 H new ATOM 0 HG2 LYS A 29 -10.751 -3.994 28.776 1.00 64.52 H new ATOM 0 HG3 LYS A 29 -10.460 -5.667 29.209 1.00 64.52 H new ATOM 0 HD2 LYS A 29 -9.545 -5.112 31.305 1.00 4.24 H new ATOM 0 HD3 LYS A 29 -9.126 -3.484 30.809 1.00 4.24 H new ATOM 0 HE2 LYS A 29 -10.992 -2.988 32.057 1.00 13.11 H new ATOM 0 HE3 LYS A 29 -11.777 -3.257 30.514 1.00 13.11 H new ATOM 0 HZ1 LYS A 29 -12.893 -4.451 32.284 1.00 52.50 H new ATOM 0 HZ2 LYS A 29 -12.228 -5.550 31.174 1.00 52.50 H new ATOM 0 HZ3 LYS A 29 -11.468 -5.289 32.669 1.00 52.50 H new ATOM 466 N LEU A 30 -6.166 -6.023 27.264 1.00 65.53 N ATOM 467 CA LEU A 30 -5.581 -6.817 26.188 1.00 21.02 C ATOM 468 C LEU A 30 -4.663 -7.899 26.747 1.00 24.12 C ATOM 469 O LEU A 30 -4.819 -9.081 26.440 1.00 20.11 O ATOM 470 CB LEU A 30 -4.801 -5.916 25.229 1.00 71.11 C ATOM 471 CG LEU A 30 -5.074 -4.416 25.346 1.00 61.03 C ATOM 472 CD1 LEU A 30 -4.096 -3.627 24.489 1.00 25.32 C ATOM 473 CD2 LEU A 30 -6.508 -4.102 24.946 1.00 34.14 C ATOM 0 H LEU A 30 -5.763 -5.092 27.369 1.00 65.53 H new ATOM 0 HA LEU A 30 -6.392 -7.300 25.644 1.00 21.02 H new ATOM 0 HB2 LEU A 30 -3.736 -6.085 25.389 1.00 71.11 H new ATOM 0 HB3 LEU A 30 -5.023 -6.227 24.208 1.00 71.11 H new ATOM 0 HG LEU A 30 -4.935 -4.121 26.386 1.00 61.03 H new ATOM 0 HD11 LEU A 30 -4.306 -2.562 24.585 1.00 25.32 H new ATOM 0 HD12 LEU A 30 -3.077 -3.828 24.821 1.00 25.32 H new ATOM 0 HD13 LEU A 30 -4.203 -3.925 23.446 1.00 25.32 H new ATOM 0 HD21 LEU A 30 -6.684 -3.030 25.035 1.00 34.14 H new ATOM 0 HD22 LEU A 30 -6.674 -4.412 23.914 1.00 34.14 H new ATOM 0 HD23 LEU A 30 -7.194 -4.638 25.601 1.00 34.14 H new ATOM 485 N LYS A 31 -3.705 -7.488 27.572 1.00 54.43 N ATOM 486 CA LYS A 31 -2.763 -8.421 28.178 1.00 73.14 C ATOM 487 C LYS A 31 -3.497 -9.488 28.984 1.00 1.21 C ATOM 488 O LYS A 31 -2.999 -10.600 29.158 1.00 72.50 O ATOM 489 CB LYS A 31 -1.780 -7.672 29.079 1.00 5.31 C ATOM 490 CG LYS A 31 -0.945 -6.639 28.342 1.00 3.20 C ATOM 491 CD LYS A 31 -0.235 -7.247 27.144 1.00 23.34 C ATOM 492 CE LYS A 31 1.173 -6.693 26.990 1.00 41.40 C ATOM 493 NZ LYS A 31 1.181 -5.397 26.256 1.00 63.02 N ATOM 0 H LYS A 31 -3.561 -6.513 27.836 1.00 54.43 H new ATOM 0 HA LYS A 31 -2.210 -8.912 27.377 1.00 73.14 H new ATOM 0 HB2 LYS A 31 -2.335 -7.177 29.876 1.00 5.31 H new ATOM 0 HB3 LYS A 31 -1.115 -8.393 29.555 1.00 5.31 H new ATOM 0 HG2 LYS A 31 -1.585 -5.822 28.010 1.00 3.20 H new ATOM 0 HG3 LYS A 31 -0.210 -6.211 29.023 1.00 3.20 H new ATOM 0 HD2 LYS A 31 -0.190 -8.330 27.257 1.00 23.34 H new ATOM 0 HD3 LYS A 31 -0.808 -7.044 26.239 1.00 23.34 H new ATOM 0 HE2 LYS A 31 1.619 -6.555 27.975 1.00 41.40 H new ATOM 0 HE3 LYS A 31 1.792 -7.416 26.458 1.00 41.40 H new ATOM 0 HZ1 LYS A 31 2.020 -5.350 25.643 1.00 63.02 H new ATOM 0 HZ2 LYS A 31 0.322 -5.322 25.674 1.00 63.02 H new ATOM 0 HZ3 LYS A 31 1.206 -4.612 26.938 1.00 63.02 H new ATOM 507 N PHE A 32 -4.683 -9.142 29.473 1.00 10.13 N ATOM 508 CA PHE A 32 -5.485 -10.070 30.261 1.00 35.40 C ATOM 509 C PHE A 32 -5.962 -11.240 29.404 1.00 4.13 C ATOM 510 O PHE A 32 -5.820 -12.402 29.787 1.00 50.34 O ATOM 511 CB PHE A 32 -6.688 -9.348 30.871 1.00 12.51 C ATOM 512 CG PHE A 32 -7.638 -10.264 31.587 1.00 35.11 C ATOM 513 CD1 PHE A 32 -7.209 -11.029 32.660 1.00 43.24 C ATOM 514 CD2 PHE A 32 -8.962 -10.362 31.187 1.00 4.53 C ATOM 515 CE1 PHE A 32 -8.081 -11.873 33.321 1.00 24.01 C ATOM 516 CE2 PHE A 32 -9.838 -11.204 31.845 1.00 11.41 C ATOM 517 CZ PHE A 32 -9.397 -11.961 32.912 1.00 21.24 C ATOM 0 H PHE A 32 -5.110 -8.226 29.337 1.00 10.13 H new ATOM 0 HA PHE A 32 -4.859 -10.460 31.063 1.00 35.40 H new ATOM 0 HB2 PHE A 32 -6.331 -8.590 31.569 1.00 12.51 H new ATOM 0 HB3 PHE A 32 -7.227 -8.825 30.081 1.00 12.51 H new ATOM 0 HD1 PHE A 32 -6.181 -10.965 32.984 1.00 43.24 H new ATOM 0 HD2 PHE A 32 -9.312 -9.774 30.352 1.00 4.53 H new ATOM 0 HE1 PHE A 32 -7.734 -12.463 34.156 1.00 24.01 H new ATOM 0 HE2 PHE A 32 -10.867 -11.270 31.525 1.00 11.41 H new ATOM 0 HZ PHE A 32 -10.080 -12.621 33.426 1.00 21.24 H new ATOM 527 N TYR A 33 -6.527 -10.924 28.245 1.00 41.04 N ATOM 528 CA TYR A 33 -7.027 -11.947 27.334 1.00 31.33 C ATOM 529 C TYR A 33 -5.993 -12.275 26.262 1.00 62.12 C ATOM 530 O TYR A 33 -5.618 -13.434 26.077 1.00 54.13 O ATOM 531 CB TYR A 33 -8.329 -11.484 26.678 1.00 0.14 C ATOM 532 CG TYR A 33 -9.503 -12.397 26.951 1.00 63.31 C ATOM 533 CD1 TYR A 33 -9.818 -12.788 28.246 1.00 34.12 C ATOM 534 CD2 TYR A 33 -10.297 -12.869 25.913 1.00 42.34 C ATOM 535 CE1 TYR A 33 -10.889 -13.623 28.499 1.00 14.05 C ATOM 536 CE2 TYR A 33 -11.371 -13.703 26.157 1.00 43.23 C ATOM 537 CZ TYR A 33 -11.663 -14.077 27.452 1.00 64.54 C ATOM 538 OH TYR A 33 -12.731 -14.908 27.700 1.00 72.21 O ATOM 0 H TYR A 33 -6.651 -9.967 27.913 1.00 41.04 H new ATOM 0 HA TYR A 33 -7.221 -12.849 27.914 1.00 31.33 H new ATOM 0 HB2 TYR A 33 -8.569 -10.482 27.033 1.00 0.14 H new ATOM 0 HB3 TYR A 33 -8.178 -11.413 25.601 1.00 0.14 H new ATOM 0 HD1 TYR A 33 -9.215 -12.433 29.069 1.00 34.12 H new ATOM 0 HD2 TYR A 33 -10.071 -12.579 24.898 1.00 42.34 H new ATOM 0 HE1 TYR A 33 -11.119 -13.919 29.512 1.00 14.05 H new ATOM 0 HE2 TYR A 33 -11.978 -14.060 25.338 1.00 43.23 H new ATOM 0 HH TYR A 33 -13.172 -15.135 26.855 1.00 72.21 H new ATOM 548 N LEU A 34 -5.534 -11.246 25.558 1.00 70.22 N ATOM 549 CA LEU A 34 -4.542 -11.422 24.503 1.00 23.51 C ATOM 550 C LEU A 34 -3.337 -12.206 25.014 1.00 31.23 C ATOM 551 O LEU A 34 -2.998 -13.261 24.479 1.00 62.44 O ATOM 552 CB LEU A 34 -4.090 -10.062 23.968 1.00 30.42 C ATOM 553 CG LEU A 34 -4.180 -9.873 22.454 1.00 74.24 C ATOM 554 CD1 LEU A 34 -3.537 -11.046 21.730 1.00 54.12 C ATOM 555 CD2 LEU A 34 -5.630 -9.708 22.022 1.00 34.03 C ATOM 0 H LEU A 34 -5.833 -10.281 25.699 1.00 70.22 H new ATOM 0 HA LEU A 34 -5.005 -11.988 23.694 1.00 23.51 H new ATOM 0 HB2 LEU A 34 -4.690 -9.288 24.447 1.00 30.42 H new ATOM 0 HB3 LEU A 34 -3.056 -9.899 24.274 1.00 30.42 H new ATOM 0 HG LEU A 34 -3.637 -8.966 22.188 1.00 74.24 H new ATOM 0 HD11 LEU A 34 -3.611 -10.894 20.653 1.00 54.12 H new ATOM 0 HD12 LEU A 34 -2.487 -11.118 22.015 1.00 54.12 H new ATOM 0 HD13 LEU A 34 -4.051 -11.968 22.002 1.00 54.12 H new ATOM 0 HD21 LEU A 34 -5.675 -9.575 20.941 1.00 34.03 H new ATOM 0 HD22 LEU A 34 -6.196 -10.596 22.302 1.00 34.03 H new ATOM 0 HD23 LEU A 34 -6.059 -8.835 22.513 1.00 34.03 H new ATOM 567 N ARG A 35 -2.696 -11.684 26.055 1.00 51.12 N ATOM 568 CA ARG A 35 -1.530 -12.335 26.639 1.00 20.22 C ATOM 569 C ARG A 35 -1.901 -13.698 27.216 1.00 22.15 C ATOM 570 O ARG A 35 -1.139 -14.659 27.105 1.00 3.44 O ATOM 571 CB ARG A 35 -0.922 -11.455 27.732 1.00 1.44 C ATOM 572 CG ARG A 35 0.596 -11.394 27.692 1.00 63.42 C ATOM 573 CD ARG A 35 1.144 -10.434 28.736 1.00 51.02 C ATOM 574 NE ARG A 35 0.450 -10.562 30.015 1.00 42.04 N ATOM 575 CZ ARG A 35 0.543 -11.631 30.797 1.00 32.41 C ATOM 576 NH1 ARG A 35 1.296 -12.660 30.433 1.00 3.13 N ATOM 577 NH2 ARG A 35 -0.119 -11.673 31.947 1.00 61.35 N ATOM 0 H ARG A 35 -2.965 -10.812 26.511 1.00 51.12 H new ATOM 0 HA ARG A 35 -0.793 -12.482 25.849 1.00 20.22 H new ATOM 0 HB2 ARG A 35 -1.320 -10.445 27.636 1.00 1.44 H new ATOM 0 HB3 ARG A 35 -1.236 -11.831 28.706 1.00 1.44 H new ATOM 0 HG2 ARG A 35 1.006 -12.390 27.862 1.00 63.42 H new ATOM 0 HG3 ARG A 35 0.922 -11.080 26.701 1.00 63.42 H new ATOM 0 HD2 ARG A 35 2.208 -10.624 28.880 1.00 51.02 H new ATOM 0 HD3 ARG A 35 1.049 -9.411 28.373 1.00 51.02 H new ATOM 0 HE ARG A 35 -0.138 -9.788 30.324 1.00 42.04 H new ATOM 0 HH11 ARG A 35 1.806 -12.632 29.550 1.00 3.13 H new ATOM 0 HH12 ARG A 35 1.365 -13.480 31.036 1.00 3.13 H new ATOM 0 HH21 ARG A 35 -0.700 -10.884 32.230 1.00 61.35 H new ATOM 0 HH22 ARG A 35 -0.047 -12.495 32.547 1.00 61.35 H new ATOM 591 N ASP A 36 -3.075 -13.774 27.833 1.00 0.10 N ATOM 592 CA ASP A 36 -3.547 -15.019 28.428 1.00 55.14 C ATOM 593 C ASP A 36 -3.409 -16.177 27.444 1.00 35.25 C ATOM 594 O ASP A 36 -2.905 -17.244 27.794 1.00 41.20 O ATOM 595 CB ASP A 36 -5.006 -14.878 28.867 1.00 5.23 C ATOM 596 CG ASP A 36 -5.764 -16.188 28.785 1.00 54.41 C ATOM 597 OD1 ASP A 36 -5.345 -17.159 29.448 1.00 45.22 O ATOM 598 OD2 ASP A 36 -6.778 -16.242 28.057 1.00 42.23 O ATOM 0 H ASP A 36 -3.717 -12.988 27.934 1.00 0.10 H new ATOM 0 HA ASP A 36 -2.932 -15.232 29.302 1.00 55.14 H new ATOM 0 HB2 ASP A 36 -5.040 -14.505 29.891 1.00 5.23 H new ATOM 0 HB3 ASP A 36 -5.501 -14.135 28.241 1.00 5.23 H new ATOM 603 N MET A 37 -3.862 -15.960 26.214 1.00 14.41 N ATOM 604 CA MET A 37 -3.789 -16.986 25.181 1.00 51.24 C ATOM 605 C MET A 37 -2.466 -16.904 24.426 1.00 52.53 C ATOM 606 O MET A 37 -1.620 -17.792 24.535 1.00 12.33 O ATOM 607 CB MET A 37 -4.957 -16.840 24.203 1.00 33.15 C ATOM 608 CG MET A 37 -6.112 -17.786 24.491 1.00 10.34 C ATOM 609 SD MET A 37 -7.638 -17.290 23.668 1.00 65.22 S ATOM 610 CE MET A 37 -8.783 -18.504 24.318 1.00 10.22 C ATOM 0 H MET A 37 -4.284 -15.083 25.908 1.00 14.41 H new ATOM 0 HA MET A 37 -3.851 -17.960 25.667 1.00 51.24 H new ATOM 0 HB2 MET A 37 -5.322 -15.813 24.236 1.00 33.15 H new ATOM 0 HB3 MET A 37 -4.596 -17.018 23.190 1.00 33.15 H new ATOM 0 HG2 MET A 37 -5.841 -18.792 24.170 1.00 10.34 H new ATOM 0 HG3 MET A 37 -6.282 -17.829 25.567 1.00 10.34 H new ATOM 0 HE1 MET A 37 -9.775 -18.329 23.901 1.00 10.22 H new ATOM 0 HE2 MET A 37 -8.446 -19.504 24.046 1.00 10.22 H new ATOM 0 HE3 MET A 37 -8.826 -18.419 25.404 1.00 10.22 H new ATOM 620 N THR A 38 -2.293 -15.832 23.658 1.00 13.33 N ATOM 621 CA THR A 38 -1.074 -15.634 22.884 1.00 33.52 C ATOM 622 C THR A 38 0.164 -15.932 23.723 1.00 75.25 C ATOM 623 O THR A 38 1.075 -16.630 23.276 1.00 21.32 O ATOM 624 CB THR A 38 -0.980 -14.196 22.342 1.00 5.33 C ATOM 625 OG1 THR A 38 -0.797 -13.276 23.424 1.00 5.23 O ATOM 626 CG2 THR A 38 -2.233 -13.827 21.563 1.00 31.22 C ATOM 0 H THR A 38 -2.983 -15.087 23.556 1.00 13.33 H new ATOM 0 HA THR A 38 -1.116 -16.328 22.044 1.00 33.52 H new ATOM 0 HB THR A 38 -0.124 -14.141 21.669 1.00 5.33 H new ATOM 0 HG1 THR A 38 -1.433 -13.483 24.141 1.00 5.23 H new ATOM 0 HG21 THR A 38 -2.142 -12.807 21.190 1.00 31.22 H new ATOM 0 HG22 THR A 38 -2.354 -14.511 20.723 1.00 31.22 H new ATOM 0 HG23 THR A 38 -3.102 -13.899 22.217 1.00 31.22 H new ATOM 634 N LEU A 39 0.190 -15.400 24.939 1.00 2.23 N ATOM 635 CA LEU A 39 1.317 -15.609 25.842 1.00 63.54 C ATOM 636 C LEU A 39 0.936 -16.552 26.979 1.00 43.21 C ATOM 637 O LEU A 39 -0.193 -17.036 27.045 1.00 73.42 O ATOM 638 CB LEU A 39 1.796 -14.273 26.410 1.00 1.43 C ATOM 639 CG LEU A 39 2.734 -13.461 25.517 1.00 45.41 C ATOM 640 CD1 LEU A 39 1.945 -12.470 24.675 1.00 4.11 C ATOM 641 CD2 LEU A 39 3.778 -12.738 26.357 1.00 54.23 C ATOM 0 H LEU A 39 -0.556 -14.820 25.323 1.00 2.23 H new ATOM 0 HA LEU A 39 2.127 -16.065 25.273 1.00 63.54 H new ATOM 0 HB2 LEU A 39 0.922 -13.662 26.634 1.00 1.43 H new ATOM 0 HB3 LEU A 39 2.303 -14.464 27.356 1.00 1.43 H new ATOM 0 HG LEU A 39 3.249 -14.148 24.845 1.00 45.41 H new ATOM 0 HD11 LEU A 39 2.630 -11.901 24.046 1.00 4.11 H new ATOM 0 HD12 LEU A 39 1.237 -13.010 24.046 1.00 4.11 H new ATOM 0 HD13 LEU A 39 1.402 -11.788 25.329 1.00 4.11 H new ATOM 0 HD21 LEU A 39 4.437 -12.165 25.704 1.00 54.23 H new ATOM 0 HD22 LEU A 39 3.281 -12.063 27.054 1.00 54.23 H new ATOM 0 HD23 LEU A 39 4.365 -13.468 26.915 1.00 54.23 H new ATOM 784 N GLY A 49 -1.687 0.253 38.870 1.00 22.04 N ATOM 785 CA GLY A 49 -0.394 0.904 38.974 1.00 22.24 C ATOM 786 C GLY A 49 0.666 0.227 38.128 1.00 72.12 C ATOM 787 O GLY A 49 1.800 0.697 38.050 1.00 23.14 O ATOM 0 HA2 GLY A 49 -0.489 1.945 38.667 1.00 22.24 H new ATOM 0 HA3 GLY A 49 -0.075 0.907 40.016 1.00 22.24 H new ATOM 791 N GLU A 50 0.295 -0.881 37.493 1.00 44.32 N ATOM 792 CA GLU A 50 1.224 -1.624 36.650 1.00 64.21 C ATOM 793 C GLU A 50 1.656 -0.789 35.448 1.00 42.11 C ATOM 794 O GLU A 50 2.793 -0.889 34.984 1.00 11.01 O ATOM 795 CB GLU A 50 0.583 -2.929 36.174 1.00 63.41 C ATOM 796 CG GLU A 50 1.572 -4.074 36.024 1.00 14.24 C ATOM 797 CD GLU A 50 1.039 -5.195 35.154 1.00 55.03 C ATOM 798 OE1 GLU A 50 -0.041 -5.735 35.477 1.00 45.50 O ATOM 799 OE2 GLU A 50 1.700 -5.533 34.150 1.00 53.01 O ATOM 0 H GLU A 50 -0.641 -1.283 37.546 1.00 44.32 H new ATOM 0 HA GLU A 50 2.107 -1.857 37.245 1.00 64.21 H new ATOM 0 HB2 GLU A 50 -0.194 -3.221 36.881 1.00 63.41 H new ATOM 0 HB3 GLU A 50 0.093 -2.755 35.216 1.00 63.41 H new ATOM 0 HG2 GLU A 50 2.499 -3.695 35.594 1.00 14.24 H new ATOM 0 HG3 GLU A 50 1.817 -4.469 37.010 1.00 14.24 H new ATOM 806 N LEU A 51 0.741 0.034 34.948 1.00 43.21 N ATOM 807 CA LEU A 51 1.026 0.887 33.799 1.00 11.42 C ATOM 808 C LEU A 51 1.239 2.334 34.235 1.00 64.53 C ATOM 809 O LEU A 51 2.195 2.984 33.813 1.00 60.45 O ATOM 810 CB LEU A 51 -0.118 0.811 32.787 1.00 52.33 C ATOM 811 CG LEU A 51 0.137 1.478 31.434 1.00 12.15 C ATOM 812 CD1 LEU A 51 1.132 0.668 30.619 1.00 61.51 C ATOM 813 CD2 LEU A 51 -1.168 1.650 30.670 1.00 63.41 C ATOM 0 H LEU A 51 -0.204 0.129 35.320 1.00 43.21 H new ATOM 0 HA LEU A 51 1.943 0.529 33.330 1.00 11.42 H new ATOM 0 HB2 LEU A 51 -0.354 -0.239 32.613 1.00 52.33 H new ATOM 0 HB3 LEU A 51 -1.002 1.266 33.233 1.00 52.33 H new ATOM 0 HG LEU A 51 0.563 2.465 31.611 1.00 12.15 H new ATOM 0 HD11 LEU A 51 1.301 1.158 29.660 1.00 61.51 H new ATOM 0 HD12 LEU A 51 2.075 0.597 31.162 1.00 61.51 H new ATOM 0 HD13 LEU A 51 0.735 -0.333 30.450 1.00 61.51 H new ATOM 0 HD21 LEU A 51 -0.968 2.126 29.710 1.00 63.41 H new ATOM 0 HD22 LEU A 51 -1.623 0.674 30.503 1.00 63.41 H new ATOM 0 HD23 LEU A 51 -1.849 2.274 31.249 1.00 63.41 H new ATOM 825 N GLU A 52 0.344 2.829 35.083 1.00 51.20 N ATOM 826 CA GLU A 52 0.436 4.198 35.576 1.00 1.34 C ATOM 827 C GLU A 52 1.575 4.338 36.583 1.00 55.42 C ATOM 828 O GLU A 52 2.443 5.198 36.439 1.00 70.34 O ATOM 829 CB GLU A 52 -0.885 4.621 36.222 1.00 10.30 C ATOM 830 CG GLU A 52 -0.890 6.060 36.711 1.00 54.02 C ATOM 831 CD GLU A 52 -0.862 7.063 35.574 1.00 74.45 C ATOM 832 OE1 GLU A 52 -1.176 6.671 34.430 1.00 35.40 O ATOM 833 OE2 GLU A 52 -0.526 8.238 35.826 1.00 14.34 O ATOM 0 H GLU A 52 -0.453 2.303 35.443 1.00 51.20 H new ATOM 0 HA GLU A 52 0.642 4.850 34.727 1.00 1.34 H new ATOM 0 HB2 GLU A 52 -1.691 4.488 35.501 1.00 10.30 H new ATOM 0 HB3 GLU A 52 -1.097 3.960 37.062 1.00 10.30 H new ATOM 0 HG2 GLU A 52 -1.779 6.230 37.319 1.00 54.02 H new ATOM 0 HG3 GLU A 52 -0.027 6.224 37.356 1.00 54.02 H new ATOM 840 N GLY A 53 1.562 3.487 37.604 1.00 64.42 N ATOM 841 CA GLY A 53 2.597 3.532 38.620 1.00 65.20 C ATOM 842 C GLY A 53 3.971 3.212 38.064 1.00 74.45 C ATOM 843 O GLY A 53 4.895 4.018 38.170 1.00 44.44 O ATOM 0 H GLY A 53 0.853 2.767 37.746 1.00 64.42 H new ATOM 0 HA2 GLY A 53 2.614 4.523 39.073 1.00 65.20 H new ATOM 0 HA3 GLY A 53 2.355 2.823 39.412 1.00 65.20 H new ATOM 847 N LEU A 54 4.106 2.031 37.470 1.00 20.11 N ATOM 848 CA LEU A 54 5.377 1.605 36.896 1.00 65.51 C ATOM 849 C LEU A 54 5.653 2.330 35.583 1.00 53.51 C ATOM 850 O LEU A 54 4.963 3.290 35.237 1.00 70.15 O ATOM 851 CB LEU A 54 5.374 0.092 36.665 1.00 53.43 C ATOM 852 CG LEU A 54 4.804 -0.759 37.800 1.00 2.32 C ATOM 853 CD1 LEU A 54 4.841 -2.234 37.432 1.00 42.21 C ATOM 854 CD2 LEU A 54 5.572 -0.510 39.090 1.00 2.22 C ATOM 0 H LEU A 54 3.351 1.352 37.374 1.00 20.11 H new ATOM 0 HA LEU A 54 6.168 1.857 37.602 1.00 65.51 H new ATOM 0 HB2 LEU A 54 4.803 -0.116 35.760 1.00 53.43 H new ATOM 0 HB3 LEU A 54 6.399 -0.229 36.477 1.00 53.43 H new ATOM 0 HG LEU A 54 3.765 -0.471 37.958 1.00 2.32 H new ATOM 0 HD11 LEU A 54 4.431 -2.824 38.252 1.00 42.21 H new ATOM 0 HD12 LEU A 54 4.247 -2.400 36.533 1.00 42.21 H new ATOM 0 HD13 LEU A 54 5.871 -2.537 37.247 1.00 42.21 H new ATOM 0 HD21 LEU A 54 5.153 -1.124 39.887 1.00 2.22 H new ATOM 0 HD22 LEU A 54 6.621 -0.770 38.945 1.00 2.22 H new ATOM 0 HD23 LEU A 54 5.493 0.542 39.363 1.00 2.22 H new ATOM 866 N ILE A 55 6.663 1.865 34.856 1.00 32.00 N ATOM 867 CA ILE A 55 7.026 2.468 33.580 1.00 65.02 C ATOM 868 C ILE A 55 6.961 1.446 32.450 1.00 32.42 C ATOM 869 O ILE A 55 7.003 0.235 32.672 1.00 53.33 O ATOM 870 CB ILE A 55 8.441 3.074 33.626 1.00 3.55 C ATOM 871 CG1 ILE A 55 9.466 2.006 34.013 1.00 74.53 C ATOM 872 CG2 ILE A 55 8.487 4.238 34.606 1.00 72.22 C ATOM 873 CD1 ILE A 55 9.627 1.835 35.507 1.00 11.10 C ATOM 0 H ILE A 55 7.244 1.073 35.129 1.00 32.00 H new ATOM 0 HA ILE A 55 6.304 3.263 33.391 1.00 65.02 H new ATOM 0 HB ILE A 55 8.691 3.448 32.633 1.00 3.55 H new ATOM 0 HG12 ILE A 55 9.168 1.053 33.577 1.00 74.53 H new ATOM 0 HG13 ILE A 55 10.431 2.267 33.579 1.00 74.53 H new ATOM 0 HG21 ILE A 55 9.493 4.656 34.628 1.00 72.22 H new ATOM 0 HG22 ILE A 55 7.781 5.007 34.291 1.00 72.22 H new ATOM 0 HG23 ILE A 55 8.219 3.886 35.602 1.00 72.22 H new ATOM 0 HD11 ILE A 55 10.369 1.062 35.707 1.00 11.10 H new ATOM 0 HD12 ILE A 55 9.956 2.776 35.948 1.00 11.10 H new ATOM 0 HD13 ILE A 55 8.672 1.543 35.945 1.00 11.10 H new ATOM 885 N PRO A 56 6.857 1.942 31.208 1.00 21.14 N ATOM 886 CA PRO A 56 6.786 1.089 30.018 1.00 30.34 C ATOM 887 C PRO A 56 8.107 0.383 29.731 1.00 32.25 C ATOM 888 O PRO A 56 8.126 -0.785 29.342 1.00 25.05 O ATOM 889 CB PRO A 56 6.451 2.074 28.895 1.00 20.55 C ATOM 890 CG PRO A 56 6.967 3.386 29.376 1.00 65.22 C ATOM 891 CD PRO A 56 6.802 3.374 30.870 1.00 32.03 C ATOM 0 HA PRO A 56 6.055 0.288 30.133 1.00 30.34 H new ATOM 0 HB2 PRO A 56 6.925 1.782 27.958 1.00 20.55 H new ATOM 0 HB3 PRO A 56 5.377 2.114 28.711 1.00 20.55 H new ATOM 0 HG2 PRO A 56 8.013 3.519 29.100 1.00 65.22 H new ATOM 0 HG3 PRO A 56 6.412 4.211 28.929 1.00 65.22 H new ATOM 0 HD2 PRO A 56 7.594 3.935 31.366 1.00 32.03 H new ATOM 0 HD3 PRO A 56 5.856 3.822 31.173 1.00 32.03 H new ATOM 899 N VAL A 57 9.210 1.099 29.926 1.00 32.23 N ATOM 900 CA VAL A 57 10.536 0.540 29.690 1.00 54.11 C ATOM 901 C VAL A 57 10.816 -0.626 30.631 1.00 61.35 C ATOM 902 O VAL A 57 11.691 -1.452 30.368 1.00 33.23 O ATOM 903 CB VAL A 57 11.634 1.605 29.869 1.00 54.30 C ATOM 904 CG1 VAL A 57 13.012 0.986 29.696 1.00 20.23 C ATOM 905 CG2 VAL A 57 11.429 2.751 28.890 1.00 55.23 C ATOM 0 H VAL A 57 9.212 2.067 30.247 1.00 32.23 H new ATOM 0 HA VAL A 57 10.551 0.184 28.660 1.00 54.11 H new ATOM 0 HB VAL A 57 11.566 2.005 30.881 1.00 54.30 H new ATOM 0 HG11 VAL A 57 13.775 1.754 29.826 1.00 20.23 H new ATOM 0 HG12 VAL A 57 13.155 0.203 30.440 1.00 20.23 H new ATOM 0 HG13 VAL A 57 13.095 0.557 28.697 1.00 20.23 H new ATOM 0 HG21 VAL A 57 12.214 3.494 29.030 1.00 55.23 H new ATOM 0 HG22 VAL A 57 11.469 2.369 27.870 1.00 55.23 H new ATOM 0 HG23 VAL A 57 10.457 3.212 29.067 1.00 55.23 H new ATOM 915 N ASP A 58 10.068 -0.688 31.727 1.00 62.13 N ATOM 916 CA ASP A 58 10.235 -1.755 32.707 1.00 51.11 C ATOM 917 C ASP A 58 9.290 -2.916 32.413 1.00 52.33 C ATOM 918 O ASP A 58 9.727 -4.048 32.202 1.00 13.02 O ATOM 919 CB ASP A 58 9.985 -1.223 34.119 1.00 50.21 C ATOM 920 CG ASP A 58 10.334 -2.237 35.190 1.00 24.11 C ATOM 921 OD1 ASP A 58 11.529 -2.579 35.317 1.00 70.45 O ATOM 922 OD2 ASP A 58 9.414 -2.688 35.903 1.00 55.14 O ATOM 0 H ASP A 58 9.340 -0.012 31.959 1.00 62.13 H new ATOM 0 HA ASP A 58 11.260 -2.119 32.640 1.00 51.11 H new ATOM 0 HB2 ASP A 58 10.574 -0.319 34.273 1.00 50.21 H new ATOM 0 HB3 ASP A 58 8.937 -0.941 34.218 1.00 50.21 H new ATOM 927 N LEU A 59 7.993 -2.628 32.401 1.00 41.53 N ATOM 928 CA LEU A 59 6.985 -3.648 32.133 1.00 1.33 C ATOM 929 C LEU A 59 7.205 -4.285 30.765 1.00 11.01 C ATOM 930 O LEU A 59 6.987 -5.483 30.585 1.00 10.31 O ATOM 931 CB LEU A 59 5.584 -3.039 32.206 1.00 75.11 C ATOM 932 CG LEU A 59 4.761 -3.092 30.918 1.00 63.02 C ATOM 933 CD1 LEU A 59 3.281 -2.921 31.222 1.00 41.10 C ATOM 934 CD2 LEU A 59 5.233 -2.026 29.940 1.00 64.24 C ATOM 0 H LEU A 59 7.615 -1.697 32.574 1.00 41.53 H new ATOM 0 HA LEU A 59 7.077 -4.424 32.893 1.00 1.33 H new ATOM 0 HB2 LEU A 59 5.027 -3.551 32.991 1.00 75.11 H new ATOM 0 HB3 LEU A 59 5.678 -1.997 32.511 1.00 75.11 H new ATOM 0 HG LEU A 59 4.905 -4.069 30.457 1.00 63.02 H new ATOM 0 HD11 LEU A 59 2.712 -2.961 30.293 1.00 41.10 H new ATOM 0 HD12 LEU A 59 2.951 -3.721 31.885 1.00 41.10 H new ATOM 0 HD13 LEU A 59 3.118 -1.958 31.706 1.00 41.10 H new ATOM 0 HD21 LEU A 59 4.637 -2.078 29.029 1.00 64.24 H new ATOM 0 HD22 LEU A 59 5.119 -1.041 30.393 1.00 64.24 H new ATOM 0 HD23 LEU A 59 6.282 -2.194 29.697 1.00 64.24 H new ATOM 946 N ALA A 60 7.640 -3.476 29.804 1.00 31.33 N ATOM 947 CA ALA A 60 7.894 -3.962 28.454 1.00 54.04 C ATOM 948 C ALA A 60 9.003 -5.009 28.446 1.00 55.42 C ATOM 949 O ALA A 60 8.875 -6.055 27.811 1.00 24.35 O ATOM 950 CB ALA A 60 8.252 -2.803 27.535 1.00 61.42 C ATOM 0 H ALA A 60 7.824 -2.481 29.936 1.00 31.33 H new ATOM 0 HA ALA A 60 6.983 -4.434 28.087 1.00 54.04 H new ATOM 0 HB1 ALA A 60 8.439 -3.180 26.530 1.00 61.42 H new ATOM 0 HB2 ALA A 60 7.426 -2.092 27.508 1.00 61.42 H new ATOM 0 HB3 ALA A 60 9.147 -2.306 27.908 1.00 61.42 H new ATOM 956 N GLU A 61 10.089 -4.718 29.154 1.00 4.00 N ATOM 957 CA GLU A 61 11.221 -5.635 29.226 1.00 10.23 C ATOM 958 C GLU A 61 10.786 -6.995 29.763 1.00 74.30 C ATOM 959 O GLU A 61 11.328 -8.031 29.375 1.00 20.03 O ATOM 960 CB GLU A 61 12.322 -5.052 30.115 1.00 31.20 C ATOM 961 CG GLU A 61 13.482 -4.457 29.335 1.00 24.23 C ATOM 962 CD GLU A 61 14.410 -5.516 28.771 1.00 1.23 C ATOM 963 OE1 GLU A 61 14.039 -6.708 28.800 1.00 13.54 O ATOM 964 OE2 GLU A 61 15.508 -5.152 28.300 1.00 0.54 O ATOM 0 H GLU A 61 10.209 -3.856 29.685 1.00 4.00 H new ATOM 0 HA GLU A 61 11.611 -5.770 28.217 1.00 10.23 H new ATOM 0 HB2 GLU A 61 11.891 -4.281 30.754 1.00 31.20 H new ATOM 0 HB3 GLU A 61 12.700 -5.836 30.772 1.00 31.20 H new ATOM 0 HG2 GLU A 61 13.092 -3.849 28.519 1.00 24.23 H new ATOM 0 HG3 GLU A 61 14.049 -3.791 29.986 1.00 24.23 H new ATOM 971 N LEU A 62 9.803 -6.985 30.657 1.00 5.14 N ATOM 972 CA LEU A 62 9.294 -8.217 31.249 1.00 63.30 C ATOM 973 C LEU A 62 8.408 -8.970 30.261 1.00 3.24 C ATOM 974 O LEU A 62 8.559 -10.177 30.071 1.00 33.51 O ATOM 975 CB LEU A 62 8.508 -7.907 32.524 1.00 74.42 C ATOM 976 CG LEU A 62 7.693 -9.063 33.108 1.00 45.54 C ATOM 977 CD1 LEU A 62 7.926 -9.175 34.606 1.00 32.33 C ATOM 978 CD2 LEU A 62 6.213 -8.877 32.808 1.00 1.50 C ATOM 0 H LEU A 62 9.343 -6.137 30.988 1.00 5.14 H new ATOM 0 HA LEU A 62 10.145 -8.850 31.500 1.00 63.30 H new ATOM 0 HB2 LEU A 62 9.209 -7.562 33.284 1.00 74.42 H new ATOM 0 HB3 LEU A 62 7.830 -7.079 32.317 1.00 74.42 H new ATOM 0 HG LEU A 62 8.024 -9.990 32.639 1.00 45.54 H new ATOM 0 HD11 LEU A 62 7.339 -10.002 35.005 1.00 32.33 H new ATOM 0 HD12 LEU A 62 8.984 -9.356 34.797 1.00 32.33 H new ATOM 0 HD13 LEU A 62 7.623 -8.247 35.092 1.00 32.33 H new ATOM 0 HD21 LEU A 62 5.649 -9.708 33.231 1.00 1.50 H new ATOM 0 HD22 LEU A 62 5.867 -7.942 33.249 1.00 1.50 H new ATOM 0 HD23 LEU A 62 6.061 -8.847 31.729 1.00 1.50 H new ATOM 990 N LEU A 63 7.486 -8.249 29.634 1.00 50.42 N ATOM 991 CA LEU A 63 6.576 -8.847 28.663 1.00 64.31 C ATOM 992 C LEU A 63 7.348 -9.450 27.493 1.00 1.04 C ATOM 993 O LEU A 63 7.147 -10.612 27.137 1.00 4.44 O ATOM 994 CB LEU A 63 5.586 -7.801 28.150 1.00 54.10 C ATOM 995 CG LEU A 63 4.128 -8.252 28.043 1.00 45.21 C ATOM 996 CD1 LEU A 63 4.030 -9.562 27.276 1.00 0.44 C ATOM 997 CD2 LEU A 63 3.511 -8.394 29.427 1.00 41.34 C ATOM 0 H LEU A 63 7.348 -7.249 29.780 1.00 50.42 H new ATOM 0 HA LEU A 63 6.026 -9.645 29.162 1.00 64.31 H new ATOM 0 HB2 LEU A 63 5.630 -6.934 28.809 1.00 54.10 H new ATOM 0 HB3 LEU A 63 5.916 -7.470 27.165 1.00 54.10 H new ATOM 0 HG LEU A 63 3.571 -7.492 27.495 1.00 45.21 H new ATOM 0 HD11 LEU A 63 2.986 -9.868 27.210 1.00 0.44 H new ATOM 0 HD12 LEU A 63 4.433 -9.427 26.272 1.00 0.44 H new ATOM 0 HD13 LEU A 63 4.601 -10.331 27.796 1.00 0.44 H new ATOM 0 HD21 LEU A 63 2.474 -8.715 29.332 1.00 41.34 H new ATOM 0 HD22 LEU A 63 4.069 -9.134 30.000 1.00 41.34 H new ATOM 0 HD23 LEU A 63 3.547 -7.434 29.942 1.00 41.34 H new ATOM 1009 N ILE A 64 8.232 -8.654 26.901 1.00 10.25 N ATOM 1010 CA ILE A 64 9.036 -9.110 25.775 1.00 60.14 C ATOM 1011 C ILE A 64 9.859 -10.339 26.148 1.00 52.50 C ATOM 1012 O ILE A 64 10.133 -11.194 25.306 1.00 34.15 O ATOM 1013 CB ILE A 64 9.984 -8.004 25.275 1.00 52.13 C ATOM 1014 CG1 ILE A 64 10.900 -7.537 26.407 1.00 24.05 C ATOM 1015 CG2 ILE A 64 9.186 -6.835 24.716 1.00 71.30 C ATOM 1016 CD1 ILE A 64 12.340 -7.969 26.237 1.00 40.33 C ATOM 0 H ILE A 64 8.409 -7.690 27.183 1.00 10.25 H new ATOM 0 HA ILE A 64 8.341 -9.370 24.977 1.00 60.14 H new ATOM 0 HB ILE A 64 10.604 -8.411 24.476 1.00 52.13 H new ATOM 0 HG12 ILE A 64 10.861 -6.450 26.470 1.00 24.05 H new ATOM 0 HG13 ILE A 64 10.522 -7.925 27.353 1.00 24.05 H new ATOM 0 HG21 ILE A 64 9.870 -6.061 24.367 1.00 71.30 H new ATOM 0 HG22 ILE A 64 8.571 -7.179 23.884 1.00 71.30 H new ATOM 0 HG23 ILE A 64 8.544 -6.426 25.496 1.00 71.30 H new ATOM 0 HD11 ILE A 64 12.931 -7.603 27.076 1.00 40.33 H new ATOM 0 HD12 ILE A 64 12.392 -9.057 26.204 1.00 40.33 H new ATOM 0 HD13 ILE A 64 12.736 -7.559 25.308 1.00 40.33 H new ATOM 1028 N SER A 65 10.249 -10.420 27.416 1.00 12.31 N ATOM 1029 CA SER A 65 11.042 -11.543 27.901 1.00 2.24 C ATOM 1030 C SER A 65 10.154 -12.748 28.195 1.00 24.32 C ATOM 1031 O SER A 65 10.605 -13.893 28.147 1.00 22.00 O ATOM 1032 CB SER A 65 11.813 -11.143 29.161 1.00 32.53 C ATOM 1033 OG SER A 65 12.305 -12.285 29.842 1.00 73.15 O ATOM 0 H SER A 65 10.029 -9.721 28.126 1.00 12.31 H new ATOM 0 HA SER A 65 11.752 -11.819 27.121 1.00 2.24 H new ATOM 0 HB2 SER A 65 12.644 -10.491 28.891 1.00 32.53 H new ATOM 0 HB3 SER A 65 11.162 -10.573 29.824 1.00 32.53 H new ATOM 0 HG SER A 65 12.795 -12.003 30.642 1.00 73.15 H new ATOM 1039 N LYS A 66 8.889 -12.483 28.500 1.00 12.41 N ATOM 1040 CA LYS A 66 7.935 -13.543 28.801 1.00 32.50 C ATOM 1041 C LYS A 66 7.965 -14.624 27.724 1.00 11.35 C ATOM 1042 O LYS A 66 8.331 -15.769 27.990 1.00 3.44 O ATOM 1043 CB LYS A 66 6.522 -12.968 28.922 1.00 50.12 C ATOM 1044 CG LYS A 66 5.432 -14.026 28.925 1.00 64.14 C ATOM 1045 CD LYS A 66 5.594 -14.990 30.089 1.00 52.45 C ATOM 1046 CE LYS A 66 5.577 -16.437 29.621 1.00 51.34 C ATOM 1047 NZ LYS A 66 6.748 -17.199 30.134 1.00 64.30 N ATOM 0 H LYS A 66 8.500 -11.541 28.545 1.00 12.41 H new ATOM 0 HA LYS A 66 8.219 -13.994 29.752 1.00 32.50 H new ATOM 0 HB2 LYS A 66 6.453 -12.385 29.841 1.00 50.12 H new ATOM 0 HB3 LYS A 66 6.347 -12.280 28.095 1.00 50.12 H new ATOM 0 HG2 LYS A 66 4.456 -13.544 28.984 1.00 64.14 H new ATOM 0 HG3 LYS A 66 5.458 -14.580 27.986 1.00 64.14 H new ATOM 0 HD2 LYS A 66 6.532 -14.784 30.605 1.00 52.45 H new ATOM 0 HD3 LYS A 66 4.792 -14.830 30.810 1.00 52.45 H new ATOM 0 HE2 LYS A 66 4.657 -16.916 29.956 1.00 51.34 H new ATOM 0 HE3 LYS A 66 5.574 -16.466 28.531 1.00 51.34 H new ATOM 0 HZ1 LYS A 66 6.571 -18.219 30.031 1.00 64.30 H new ATOM 0 HZ2 LYS A 66 7.596 -16.938 29.592 1.00 64.30 H new ATOM 0 HZ3 LYS A 66 6.896 -16.974 31.138 1.00 64.30 H new ATOM 1061 N TYR A 67 7.579 -14.252 26.509 1.00 11.11 N ATOM 1062 CA TYR A 67 7.561 -15.190 25.393 1.00 51.53 C ATOM 1063 C TYR A 67 8.445 -14.695 24.252 1.00 55.05 C ATOM 1064 O TYR A 67 9.143 -15.477 23.608 1.00 22.14 O ATOM 1065 CB TYR A 67 6.130 -15.393 24.893 1.00 55.40 C ATOM 1066 CG TYR A 67 5.788 -16.837 24.606 1.00 74.22 C ATOM 1067 CD1 TYR A 67 6.641 -17.637 23.855 1.00 33.35 C ATOM 1068 CD2 TYR A 67 4.612 -17.402 25.084 1.00 55.34 C ATOM 1069 CE1 TYR A 67 6.332 -18.958 23.590 1.00 43.51 C ATOM 1070 CE2 TYR A 67 4.296 -18.721 24.824 1.00 33.22 C ATOM 1071 CZ TYR A 67 5.159 -19.495 24.077 1.00 40.12 C ATOM 1072 OH TYR A 67 4.847 -20.809 23.815 1.00 23.40 O ATOM 0 H TYR A 67 7.274 -13.308 26.272 1.00 11.11 H new ATOM 0 HA TYR A 67 7.954 -16.143 25.746 1.00 51.53 H new ATOM 0 HB2 TYR A 67 5.435 -15.005 25.638 1.00 55.40 H new ATOM 0 HB3 TYR A 67 5.985 -14.807 23.986 1.00 55.40 H new ATOM 0 HD1 TYR A 67 7.561 -17.220 23.472 1.00 33.35 H new ATOM 0 HD2 TYR A 67 3.933 -16.799 25.669 1.00 55.34 H new ATOM 0 HE1 TYR A 67 7.006 -19.566 23.005 1.00 43.51 H new ATOM 0 HE2 TYR A 67 3.378 -19.144 25.204 1.00 33.22 H new ATOM 0 HH TYR A 67 3.988 -21.030 24.231 1.00 23.40 H new ATOM 1082 N GLY A 68 8.408 -13.389 24.007 1.00 51.53 N ATOM 1083 CA GLY A 68 9.209 -12.810 22.944 1.00 63.20 C ATOM 1084 C GLY A 68 8.876 -11.353 22.694 1.00 4.34 C ATOM 1085 O GLY A 68 7.725 -10.941 22.831 1.00 50.23 O ATOM 0 H GLY A 68 7.838 -12.721 24.526 1.00 51.53 H new ATOM 0 HA2 GLY A 68 10.265 -12.899 23.199 1.00 63.20 H new ATOM 0 HA3 GLY A 68 9.054 -13.377 22.026 1.00 63.20 H new ATOM 1089 N GLU A 69 9.887 -10.570 22.329 1.00 24.35 N ATOM 1090 CA GLU A 69 9.695 -9.150 22.063 1.00 5.42 C ATOM 1091 C GLU A 69 8.836 -8.940 20.820 1.00 63.34 C ATOM 1092 O GLU A 69 8.160 -7.921 20.682 1.00 13.13 O ATOM 1093 CB GLU A 69 11.047 -8.454 21.886 1.00 72.12 C ATOM 1094 CG GLU A 69 11.908 -9.067 20.794 1.00 0.32 C ATOM 1095 CD GLU A 69 12.795 -8.046 20.109 1.00 5.32 C ATOM 1096 OE1 GLU A 69 13.021 -6.967 20.698 1.00 65.44 O ATOM 1097 OE2 GLU A 69 13.264 -8.324 18.986 1.00 74.23 O ATOM 0 H GLU A 69 10.846 -10.896 22.211 1.00 24.35 H new ATOM 0 HA GLU A 69 9.179 -8.713 22.918 1.00 5.42 H new ATOM 0 HB2 GLU A 69 10.877 -7.402 21.656 1.00 72.12 H new ATOM 0 HB3 GLU A 69 11.591 -8.490 22.830 1.00 72.12 H new ATOM 0 HG2 GLU A 69 12.530 -9.852 21.224 1.00 0.32 H new ATOM 0 HG3 GLU A 69 11.265 -9.540 20.052 1.00 0.32 H new ATOM 1104 N LYS A 70 8.869 -9.913 19.915 1.00 52.12 N ATOM 1105 CA LYS A 70 8.094 -9.838 18.682 1.00 32.01 C ATOM 1106 C LYS A 70 6.598 -9.833 18.980 1.00 53.25 C ATOM 1107 O LYS A 70 5.950 -8.788 18.928 1.00 74.24 O ATOM 1108 CB LYS A 70 8.438 -11.015 17.766 1.00 4.24 C ATOM 1109 CG LYS A 70 8.143 -10.751 16.300 1.00 63.10 C ATOM 1110 CD LYS A 70 9.219 -9.889 15.661 1.00 61.11 C ATOM 1111 CE LYS A 70 8.646 -9.003 14.565 1.00 32.44 C ATOM 1112 NZ LYS A 70 9.691 -8.576 13.594 1.00 13.43 N ATOM 0 H LYS A 70 9.424 -10.763 20.013 1.00 52.12 H new ATOM 0 HA LYS A 70 8.350 -8.906 18.178 1.00 32.01 H new ATOM 0 HB2 LYS A 70 9.495 -11.255 17.878 1.00 4.24 H new ATOM 0 HB3 LYS A 70 7.877 -11.892 18.089 1.00 4.24 H new ATOM 0 HG2 LYS A 70 8.070 -11.699 15.766 1.00 63.10 H new ATOM 0 HG3 LYS A 70 7.176 -10.257 16.206 1.00 63.10 H new ATOM 0 HD2 LYS A 70 9.690 -9.268 16.423 1.00 61.11 H new ATOM 0 HD3 LYS A 70 9.998 -10.527 15.244 1.00 61.11 H new ATOM 0 HE2 LYS A 70 7.858 -9.541 14.038 1.00 32.44 H new ATOM 0 HE3 LYS A 70 8.185 -8.123 15.013 1.00 32.44 H new ATOM 0 HZ1 LYS A 70 9.261 -7.974 12.863 1.00 13.43 H new ATOM 0 HZ2 LYS A 70 10.430 -8.040 14.093 1.00 13.43 H new ATOM 0 HZ3 LYS A 70 10.113 -9.415 13.147 1.00 13.43 H new ATOM 1126 N GLU A 71 6.057 -11.006 19.292 1.00 31.32 N ATOM 1127 CA GLU A 71 4.637 -11.135 19.599 1.00 41.05 C ATOM 1128 C GLU A 71 4.212 -10.113 20.650 1.00 65.44 C ATOM 1129 O GLU A 71 3.061 -9.680 20.679 1.00 2.24 O ATOM 1130 CB GLU A 71 4.325 -12.550 20.091 1.00 1.41 C ATOM 1131 CG GLU A 71 5.281 -13.046 21.162 1.00 5.15 C ATOM 1132 CD GLU A 71 6.205 -14.138 20.659 1.00 22.14 C ATOM 1133 OE1 GLU A 71 5.829 -15.325 20.754 1.00 15.22 O ATOM 1134 OE2 GLU A 71 7.305 -13.805 20.170 1.00 21.33 O ATOM 0 H GLU A 71 6.580 -11.880 19.339 1.00 31.32 H new ATOM 0 HA GLU A 71 4.075 -10.944 18.685 1.00 41.05 H new ATOM 0 HB2 GLU A 71 3.309 -12.573 20.484 1.00 1.41 H new ATOM 0 HB3 GLU A 71 4.355 -13.235 19.244 1.00 1.41 H new ATOM 0 HG2 GLU A 71 5.878 -12.210 21.527 1.00 5.15 H new ATOM 0 HG3 GLU A 71 4.708 -13.422 22.009 1.00 5.15 H new ATOM 1141 N ALA A 72 5.151 -9.734 21.511 1.00 60.23 N ATOM 1142 CA ALA A 72 4.876 -8.763 22.562 1.00 34.23 C ATOM 1143 C ALA A 72 4.171 -7.532 22.002 1.00 25.11 C ATOM 1144 O ALA A 72 3.027 -7.245 22.353 1.00 30.25 O ATOM 1145 CB ALA A 72 6.166 -8.363 23.262 1.00 11.12 C ATOM 0 H ALA A 72 6.109 -10.085 21.501 1.00 60.23 H new ATOM 0 HA ALA A 72 4.211 -9.230 23.289 1.00 34.23 H new ATOM 0 HB1 ALA A 72 5.945 -7.637 24.045 1.00 11.12 H new ATOM 0 HB2 ALA A 72 6.628 -9.245 23.705 1.00 11.12 H new ATOM 0 HB3 ALA A 72 6.850 -7.920 22.539 1.00 11.12 H new ATOM 1151 N VAL A 73 4.863 -6.806 21.129 1.00 60.51 N ATOM 1152 CA VAL A 73 4.304 -5.606 20.520 1.00 54.14 C ATOM 1153 C VAL A 73 2.989 -5.911 19.810 1.00 1.03 C ATOM 1154 O VAL A 73 2.009 -5.179 19.953 1.00 62.33 O ATOM 1155 CB VAL A 73 5.285 -4.979 19.511 1.00 12.35 C ATOM 1156 CG1 VAL A 73 4.595 -3.894 18.699 1.00 51.41 C ATOM 1157 CG2 VAL A 73 6.505 -4.423 20.231 1.00 74.31 C ATOM 0 H VAL A 73 5.812 -7.029 20.828 1.00 60.51 H new ATOM 0 HA VAL A 73 4.122 -4.897 21.328 1.00 54.14 H new ATOM 0 HB VAL A 73 5.619 -5.756 18.824 1.00 12.35 H new ATOM 0 HG11 VAL A 73 5.304 -3.463 17.992 1.00 51.41 H new ATOM 0 HG12 VAL A 73 3.756 -4.326 18.154 1.00 51.41 H new ATOM 0 HG13 VAL A 73 4.231 -3.115 19.368 1.00 51.41 H new ATOM 0 HG21 VAL A 73 7.188 -3.984 19.504 1.00 74.31 H new ATOM 0 HG22 VAL A 73 6.191 -3.659 20.942 1.00 74.31 H new ATOM 0 HG23 VAL A 73 7.011 -5.228 20.764 1.00 74.31 H new ATOM 1167 N LYS A 74 2.974 -6.997 19.045 1.00 24.22 N ATOM 1168 CA LYS A 74 1.780 -7.402 18.314 1.00 71.34 C ATOM 1169 C LYS A 74 0.614 -7.643 19.267 1.00 74.12 C ATOM 1170 O LYS A 74 -0.544 -7.410 18.919 1.00 70.24 O ATOM 1171 CB LYS A 74 2.059 -8.669 17.502 1.00 20.30 C ATOM 1172 CG LYS A 74 3.094 -8.475 16.407 1.00 14.31 C ATOM 1173 CD LYS A 74 3.087 -9.631 15.422 1.00 62.41 C ATOM 1174 CE LYS A 74 4.477 -10.226 15.252 1.00 74.42 C ATOM 1175 NZ LYS A 74 4.738 -11.315 16.234 1.00 40.30 N ATOM 0 H LYS A 74 3.777 -7.613 18.915 1.00 24.22 H new ATOM 0 HA LYS A 74 1.510 -6.594 17.634 1.00 71.34 H new ATOM 0 HB2 LYS A 74 2.399 -9.455 18.176 1.00 20.30 H new ATOM 0 HB3 LYS A 74 1.128 -9.015 17.053 1.00 20.30 H new ATOM 0 HG2 LYS A 74 2.894 -7.543 15.877 1.00 14.31 H new ATOM 0 HG3 LYS A 74 4.084 -8.382 16.853 1.00 14.31 H new ATOM 0 HD2 LYS A 74 2.400 -10.402 15.769 1.00 62.41 H new ATOM 0 HD3 LYS A 74 2.717 -9.286 14.457 1.00 62.41 H new ATOM 0 HE2 LYS A 74 4.584 -10.616 14.240 1.00 74.42 H new ATOM 0 HE3 LYS A 74 5.225 -9.442 15.372 1.00 74.42 H new ATOM 0 HZ1 LYS A 74 5.179 -12.122 15.748 1.00 40.30 H new ATOM 0 HZ2 LYS A 74 5.377 -10.967 16.977 1.00 40.30 H new ATOM 0 HZ3 LYS A 74 3.840 -11.618 16.663 1.00 40.30 H new ATOM 1189 N VAL A 75 0.926 -8.109 20.472 1.00 64.43 N ATOM 1190 CA VAL A 75 -0.095 -8.379 21.476 1.00 34.11 C ATOM 1191 C VAL A 75 -0.783 -7.093 21.920 1.00 4.40 C ATOM 1192 O VAL A 75 -1.925 -7.112 22.378 1.00 31.42 O ATOM 1193 CB VAL A 75 0.502 -9.081 22.710 1.00 72.30 C ATOM 1194 CG1 VAL A 75 0.622 -8.108 23.873 1.00 50.24 C ATOM 1195 CG2 VAL A 75 -0.342 -10.286 23.098 1.00 54.14 C ATOM 0 H VAL A 75 1.879 -8.307 20.776 1.00 64.43 H new ATOM 0 HA VAL A 75 -0.828 -9.038 21.012 1.00 34.11 H new ATOM 0 HB VAL A 75 1.502 -9.433 22.457 1.00 72.30 H new ATOM 0 HG11 VAL A 75 1.046 -8.622 24.736 1.00 50.24 H new ATOM 0 HG12 VAL A 75 1.272 -7.280 23.589 1.00 50.24 H new ATOM 0 HG13 VAL A 75 -0.365 -7.723 24.129 1.00 50.24 H new ATOM 0 HG21 VAL A 75 0.095 -10.770 23.972 1.00 54.14 H new ATOM 0 HG22 VAL A 75 -1.355 -9.960 23.332 1.00 54.14 H new ATOM 0 HG23 VAL A 75 -0.371 -10.992 22.268 1.00 54.14 H new ATOM 1205 N VAL A 76 -0.079 -5.974 21.781 1.00 43.32 N ATOM 1206 CA VAL A 76 -0.621 -4.676 22.166 1.00 71.31 C ATOM 1207 C VAL A 76 -1.579 -4.144 21.106 1.00 62.43 C ATOM 1208 O VAL A 76 -2.693 -3.721 21.416 1.00 32.10 O ATOM 1209 CB VAL A 76 0.500 -3.645 22.394 1.00 54.54 C ATOM 1210 CG1 VAL A 76 0.118 -2.300 21.792 1.00 25.41 C ATOM 1211 CG2 VAL A 76 0.803 -3.507 23.878 1.00 41.01 C ATOM 0 H VAL A 76 0.868 -5.940 21.404 1.00 43.32 H new ATOM 0 HA VAL A 76 -1.163 -4.824 23.100 1.00 71.31 H new ATOM 0 HB VAL A 76 1.402 -3.998 21.894 1.00 54.54 H new ATOM 0 HG11 VAL A 76 0.922 -1.584 21.963 1.00 25.41 H new ATOM 0 HG12 VAL A 76 -0.045 -2.414 20.720 1.00 25.41 H new ATOM 0 HG13 VAL A 76 -0.797 -1.938 22.262 1.00 25.41 H new ATOM 0 HG21 VAL A 76 1.597 -2.774 24.021 1.00 41.01 H new ATOM 0 HG22 VAL A 76 -0.093 -3.177 24.403 1.00 41.01 H new ATOM 0 HG23 VAL A 76 1.122 -4.470 24.275 1.00 41.01 H new ATOM 1221 N LEU A 77 -1.138 -4.169 19.853 1.00 72.13 N ATOM 1222 CA LEU A 77 -1.957 -3.690 18.744 1.00 3.23 C ATOM 1223 C LEU A 77 -3.128 -4.632 18.485 1.00 64.24 C ATOM 1224 O LEU A 77 -4.279 -4.203 18.406 1.00 42.22 O ATOM 1225 CB LEU A 77 -1.107 -3.553 17.479 1.00 14.45 C ATOM 1226 CG LEU A 77 -0.230 -4.754 17.127 1.00 63.02 C ATOM 1227 CD1 LEU A 77 -0.891 -5.600 16.050 1.00 62.30 C ATOM 1228 CD2 LEU A 77 1.148 -4.293 16.674 1.00 23.35 C ATOM 0 H LEU A 77 -0.219 -4.516 19.579 1.00 72.13 H new ATOM 0 HA LEU A 77 -2.355 -2.712 19.014 1.00 3.23 H new ATOM 0 HB2 LEU A 77 -1.772 -3.355 16.638 1.00 14.45 H new ATOM 0 HB3 LEU A 77 -0.465 -2.679 17.590 1.00 14.45 H new ATOM 0 HG LEU A 77 -0.111 -5.367 18.020 1.00 63.02 H new ATOM 0 HD11 LEU A 77 -0.252 -6.451 15.812 1.00 62.30 H new ATOM 0 HD12 LEU A 77 -1.855 -5.960 16.410 1.00 62.30 H new ATOM 0 HD13 LEU A 77 -1.041 -4.997 15.154 1.00 62.30 H new ATOM 0 HD21 LEU A 77 1.759 -5.161 16.427 1.00 23.35 H new ATOM 0 HD22 LEU A 77 1.048 -3.658 15.794 1.00 23.35 H new ATOM 0 HD23 LEU A 77 1.625 -3.729 17.476 1.00 23.35 H new ATOM 1240 N LYS A 78 -2.826 -5.920 18.354 1.00 14.34 N ATOM 1241 CA LYS A 78 -3.853 -6.925 18.107 1.00 32.02 C ATOM 1242 C LYS A 78 -5.019 -6.762 19.078 1.00 62.24 C ATOM 1243 O LYS A 78 -6.182 -6.857 18.687 1.00 3.25 O ATOM 1244 CB LYS A 78 -3.261 -8.330 18.236 1.00 74.53 C ATOM 1245 CG LYS A 78 -4.132 -9.415 17.626 1.00 73.21 C ATOM 1246 CD LYS A 78 -4.907 -10.173 18.691 1.00 11.20 C ATOM 1247 CE LYS A 78 -6.379 -9.789 18.688 1.00 21.05 C ATOM 1248 NZ LYS A 78 -7.253 -10.940 19.048 1.00 42.00 N ATOM 0 H LYS A 78 -1.878 -6.292 18.415 1.00 14.34 H new ATOM 0 HA LYS A 78 -4.226 -6.786 17.092 1.00 32.02 H new ATOM 0 HB2 LYS A 78 -2.283 -8.348 17.756 1.00 74.53 H new ATOM 0 HB3 LYS A 78 -3.103 -8.553 19.291 1.00 74.53 H new ATOM 0 HG2 LYS A 78 -4.829 -8.968 16.917 1.00 73.21 H new ATOM 0 HG3 LYS A 78 -3.508 -10.111 17.064 1.00 73.21 H new ATOM 0 HD2 LYS A 78 -4.809 -11.245 18.520 1.00 11.20 H new ATOM 0 HD3 LYS A 78 -4.478 -9.966 19.671 1.00 11.20 H new ATOM 0 HE2 LYS A 78 -6.543 -8.974 19.393 1.00 21.05 H new ATOM 0 HE3 LYS A 78 -6.656 -9.418 17.701 1.00 21.05 H new ATOM 0 HZ1 LYS A 78 -8.248 -10.638 19.035 1.00 42.00 H new ATOM 0 HZ2 LYS A 78 -7.115 -11.709 18.361 1.00 42.00 H new ATOM 0 HZ3 LYS A 78 -7.007 -11.279 20.000 1.00 42.00 H new ATOM 1262 N GLY A 79 -4.699 -6.515 20.344 1.00 24.23 N ATOM 1263 CA GLY A 79 -5.730 -6.342 21.350 1.00 54.31 C ATOM 1264 C GLY A 79 -6.240 -4.916 21.418 1.00 3.30 C ATOM 1265 O GLY A 79 -7.357 -4.669 21.874 1.00 1.53 O ATOM 0 H GLY A 79 -3.744 -6.432 20.691 1.00 24.23 H new ATOM 0 HA2 GLY A 79 -6.562 -7.012 21.132 1.00 54.31 H new ATOM 0 HA3 GLY A 79 -5.335 -6.630 22.324 1.00 54.31 H new ATOM 1269 N LEU A 80 -5.419 -3.974 20.965 1.00 34.12 N ATOM 1270 CA LEU A 80 -5.792 -2.564 20.978 1.00 52.30 C ATOM 1271 C LEU A 80 -6.823 -2.263 19.895 1.00 73.21 C ATOM 1272 O LEU A 80 -7.663 -1.377 20.051 1.00 55.22 O ATOM 1273 CB LEU A 80 -4.555 -1.687 20.778 1.00 41.04 C ATOM 1274 CG LEU A 80 -3.865 -1.199 22.052 1.00 42.53 C ATOM 1275 CD1 LEU A 80 -2.722 -0.254 21.711 1.00 31.55 C ATOM 1276 CD2 LEU A 80 -4.866 -0.517 22.973 1.00 51.34 C ATOM 0 H LEU A 80 -4.491 -4.161 20.584 1.00 34.12 H new ATOM 0 HA LEU A 80 -6.236 -2.340 21.948 1.00 52.30 H new ATOM 0 HB2 LEU A 80 -3.829 -2.246 20.187 1.00 41.04 H new ATOM 0 HB3 LEU A 80 -4.843 -0.817 20.188 1.00 41.04 H new ATOM 0 HG LEU A 80 -3.452 -2.063 22.573 1.00 42.53 H new ATOM 0 HD11 LEU A 80 -2.242 0.083 22.630 1.00 31.55 H new ATOM 0 HD12 LEU A 80 -1.992 -0.775 21.091 1.00 31.55 H new ATOM 0 HD13 LEU A 80 -3.111 0.607 21.168 1.00 31.55 H new ATOM 0 HD21 LEU A 80 -4.357 -0.176 23.875 1.00 51.34 H new ATOM 0 HD22 LEU A 80 -5.308 0.338 22.461 1.00 51.34 H new ATOM 0 HD23 LEU A 80 -5.651 -1.223 23.244 1.00 51.34 H new ATOM 1288 N LYS A 81 -6.755 -3.009 18.797 1.00 10.32 N ATOM 1289 CA LYS A 81 -7.684 -2.826 17.688 1.00 11.24 C ATOM 1290 C LYS A 81 -9.129 -2.868 18.176 1.00 23.44 C ATOM 1291 O LYS A 81 -9.886 -1.916 17.990 1.00 42.20 O ATOM 1292 CB LYS A 81 -7.461 -3.905 16.626 1.00 14.41 C ATOM 1293 CG LYS A 81 -6.131 -3.782 15.904 1.00 3.22 C ATOM 1294 CD LYS A 81 -6.323 -3.459 14.432 1.00 43.31 C ATOM 1295 CE LYS A 81 -5.490 -2.258 14.012 1.00 44.44 C ATOM 1296 NZ LYS A 81 -6.340 -1.080 13.683 1.00 71.30 N ATOM 0 H LYS A 81 -6.066 -3.746 18.652 1.00 10.32 H new ATOM 0 HA LYS A 81 -7.497 -1.847 17.247 1.00 11.24 H new ATOM 0 HB2 LYS A 81 -7.519 -4.886 17.099 1.00 14.41 H new ATOM 0 HB3 LYS A 81 -8.268 -3.855 15.895 1.00 14.41 H new ATOM 0 HG2 LYS A 81 -5.532 -3.002 16.373 1.00 3.22 H new ATOM 0 HG3 LYS A 81 -5.575 -4.714 16.003 1.00 3.22 H new ATOM 0 HD2 LYS A 81 -6.046 -4.324 13.829 1.00 43.31 H new ATOM 0 HD3 LYS A 81 -7.376 -3.259 14.237 1.00 43.31 H new ATOM 0 HE2 LYS A 81 -4.801 -1.996 14.815 1.00 44.44 H new ATOM 0 HE3 LYS A 81 -4.884 -2.522 13.145 1.00 44.44 H new ATOM 0 HZ1 LYS A 81 -5.734 -0.283 13.402 1.00 71.30 H new ATOM 0 HZ2 LYS A 81 -6.980 -1.322 12.900 1.00 71.30 H new ATOM 0 HZ3 LYS A 81 -6.900 -0.812 14.518 1.00 71.30 H new ATOM 1310 N VAL A 82 -9.504 -3.979 18.803 1.00 13.23 N ATOM 1311 CA VAL A 82 -10.857 -4.144 19.320 1.00 35.35 C ATOM 1312 C VAL A 82 -11.192 -3.062 20.341 1.00 61.10 C ATOM 1313 O VAL A 82 -12.330 -2.956 20.797 1.00 3.24 O ATOM 1314 CB VAL A 82 -11.043 -5.526 19.974 1.00 32.35 C ATOM 1315 CG1 VAL A 82 -10.805 -5.444 21.475 1.00 51.35 C ATOM 1316 CG2 VAL A 82 -12.431 -6.074 19.676 1.00 65.41 C ATOM 0 H VAL A 82 -8.890 -4.777 18.965 1.00 13.23 H new ATOM 0 HA VAL A 82 -11.533 -4.058 18.469 1.00 35.35 H new ATOM 0 HB VAL A 82 -10.308 -6.210 19.551 1.00 32.35 H new ATOM 0 HG11 VAL A 82 -10.941 -6.430 21.919 1.00 51.35 H new ATOM 0 HG12 VAL A 82 -9.789 -5.098 21.664 1.00 51.35 H new ATOM 0 HG13 VAL A 82 -11.515 -4.745 21.918 1.00 51.35 H new ATOM 0 HG21 VAL A 82 -12.545 -7.051 20.146 1.00 65.41 H new ATOM 0 HG22 VAL A 82 -13.184 -5.392 20.070 1.00 65.41 H new ATOM 0 HG23 VAL A 82 -12.560 -6.172 18.598 1.00 65.41 H new ATOM 1326 N MET A 83 -10.192 -2.261 20.694 1.00 14.43 N ATOM 1327 CA MET A 83 -10.381 -1.185 21.660 1.00 13.52 C ATOM 1328 C MET A 83 -10.481 0.166 20.957 1.00 23.35 C ATOM 1329 O MET A 83 -10.847 1.168 21.569 1.00 50.42 O ATOM 1330 CB MET A 83 -9.229 -1.165 22.666 1.00 22.33 C ATOM 1331 CG MET A 83 -9.522 -0.343 23.911 1.00 72.32 C ATOM 1332 SD MET A 83 -10.301 -1.313 25.216 1.00 23.13 S ATOM 1333 CE MET A 83 -8.881 -2.170 25.893 1.00 34.44 C ATOM 0 H MET A 83 -9.244 -2.336 20.326 1.00 14.43 H new ATOM 0 HA MET A 83 -11.315 -1.368 22.192 1.00 13.52 H new ATOM 0 HB2 MET A 83 -8.999 -2.188 22.962 1.00 22.33 H new ATOM 0 HB3 MET A 83 -8.339 -0.766 22.179 1.00 22.33 H new ATOM 0 HG2 MET A 83 -8.592 0.084 24.287 1.00 72.32 H new ATOM 0 HG3 MET A 83 -10.172 0.491 23.646 1.00 72.32 H new ATOM 0 HE1 MET A 83 -9.029 -2.333 26.961 1.00 34.44 H new ATOM 0 HE2 MET A 83 -8.763 -3.131 25.392 1.00 34.44 H new ATOM 0 HE3 MET A 83 -7.985 -1.568 25.739 1.00 34.44 H new ATOM 1343 N ASN A 84 -10.152 0.183 19.670 1.00 43.31 N ATOM 1344 CA ASN A 84 -10.203 1.411 18.885 1.00 53.15 C ATOM 1345 C ASN A 84 -9.093 2.371 19.301 1.00 21.44 C ATOM 1346 O ASN A 84 -9.327 3.565 19.489 1.00 15.24 O ATOM 1347 CB ASN A 84 -11.566 2.088 19.047 1.00 4.33 C ATOM 1348 CG ASN A 84 -12.703 1.088 19.121 1.00 13.32 C ATOM 1349 OD1 ASN A 84 -13.144 0.711 20.207 1.00 4.43 O ATOM 1350 ND2 ASN A 84 -13.185 0.653 17.963 1.00 44.25 N ATOM 0 H ASN A 84 -9.847 -0.639 19.148 1.00 43.31 H new ATOM 0 HA ASN A 84 -10.057 1.149 17.837 1.00 53.15 H new ATOM 0 HB2 ASN A 84 -11.561 2.696 19.952 1.00 4.33 H new ATOM 0 HB3 ASN A 84 -11.735 2.764 18.209 1.00 4.33 H new ATOM 0 HD21 ASN A 84 -13.951 -0.020 17.950 1.00 44.25 H new ATOM 0 HD22 ASN A 84 -12.789 0.992 17.086 1.00 44.25 H new ATOM 1357 N LEU A 85 -7.883 1.841 19.444 1.00 72.53 N ATOM 1358 CA LEU A 85 -6.735 2.649 19.838 1.00 41.52 C ATOM 1359 C LEU A 85 -5.875 3.000 18.628 1.00 62.12 C ATOM 1360 O LEU A 85 -4.663 3.188 18.747 1.00 13.03 O ATOM 1361 CB LEU A 85 -5.894 1.905 20.877 1.00 54.41 C ATOM 1362 CG LEU A 85 -6.054 2.369 22.325 1.00 23.55 C ATOM 1363 CD1 LEU A 85 -6.127 3.886 22.396 1.00 70.13 C ATOM 1364 CD2 LEU A 85 -7.291 1.743 22.952 1.00 14.42 C ATOM 0 H LEU A 85 -7.672 0.855 19.293 1.00 72.53 H new ATOM 0 HA LEU A 85 -7.108 3.575 20.277 1.00 41.52 H new ATOM 0 HB2 LEU A 85 -6.144 0.845 20.826 1.00 54.41 H new ATOM 0 HB3 LEU A 85 -4.844 1.999 20.600 1.00 54.41 H new ATOM 0 HG LEU A 85 -5.180 2.042 22.889 1.00 23.55 H new ATOM 0 HD11 LEU A 85 -6.241 4.197 23.435 1.00 70.13 H new ATOM 0 HD12 LEU A 85 -5.211 4.314 21.988 1.00 70.13 H new ATOM 0 HD13 LEU A 85 -6.981 4.237 21.817 1.00 70.13 H new ATOM 0 HD21 LEU A 85 -7.389 2.084 23.982 1.00 14.42 H new ATOM 0 HD22 LEU A 85 -8.175 2.038 22.386 1.00 14.42 H new ATOM 0 HD23 LEU A 85 -7.197 0.657 22.937 1.00 14.42 H new ATOM 1376 N LEU A 86 -6.509 3.088 17.464 1.00 44.23 N ATOM 1377 CA LEU A 86 -5.802 3.419 16.231 1.00 60.20 C ATOM 1378 C LEU A 86 -4.976 4.690 16.401 1.00 72.12 C ATOM 1379 O LEU A 86 -4.027 4.929 15.655 1.00 75.14 O ATOM 1380 CB LEU A 86 -6.796 3.592 15.081 1.00 2.41 C ATOM 1381 CG LEU A 86 -6.902 2.422 14.103 1.00 32.44 C ATOM 1382 CD1 LEU A 86 -8.326 2.286 13.586 1.00 42.23 C ATOM 1383 CD2 LEU A 86 -5.928 2.601 12.949 1.00 64.14 C ATOM 0 H LEU A 86 -7.511 2.935 17.348 1.00 44.23 H new ATOM 0 HA LEU A 86 -5.125 2.597 15.997 1.00 60.20 H new ATOM 0 HB2 LEU A 86 -7.783 3.775 15.505 1.00 2.41 H new ATOM 0 HB3 LEU A 86 -6.520 4.485 14.520 1.00 2.41 H new ATOM 0 HG LEU A 86 -6.641 1.506 14.633 1.00 32.44 H new ATOM 0 HD11 LEU A 86 -8.382 1.448 12.891 1.00 42.23 H new ATOM 0 HD12 LEU A 86 -9.002 2.109 14.423 1.00 42.23 H new ATOM 0 HD13 LEU A 86 -8.616 3.203 13.073 1.00 42.23 H new ATOM 0 HD21 LEU A 86 -6.018 1.759 12.263 1.00 64.14 H new ATOM 0 HD22 LEU A 86 -6.157 3.526 12.420 1.00 64.14 H new ATOM 0 HD23 LEU A 86 -4.910 2.647 13.336 1.00 64.14 H new ATOM 1395 N GLU A 87 -5.343 5.500 17.389 1.00 51.44 N ATOM 1396 CA GLU A 87 -4.635 6.746 17.657 1.00 44.43 C ATOM 1397 C GLU A 87 -3.137 6.498 17.811 1.00 2.22 C ATOM 1398 O GLU A 87 -2.363 6.700 16.875 1.00 64.34 O ATOM 1399 CB GLU A 87 -5.186 7.411 18.920 1.00 24.31 C ATOM 1400 CG GLU A 87 -4.376 8.611 19.379 1.00 4.52 C ATOM 1401 CD GLU A 87 -5.238 9.830 19.643 1.00 1.43 C ATOM 1402 OE1 GLU A 87 -6.338 9.666 20.212 1.00 41.24 O ATOM 1403 OE2 GLU A 87 -4.814 10.948 19.282 1.00 64.30 O ATOM 0 H GLU A 87 -6.126 5.316 18.016 1.00 51.44 H new ATOM 0 HA GLU A 87 -4.790 7.412 16.808 1.00 44.43 H new ATOM 0 HB2 GLU A 87 -6.213 7.726 18.736 1.00 24.31 H new ATOM 0 HB3 GLU A 87 -5.217 6.675 19.724 1.00 24.31 H new ATOM 0 HG2 GLU A 87 -3.832 8.352 20.287 1.00 4.52 H new ATOM 0 HG3 GLU A 87 -3.632 8.854 18.620 1.00 4.52 H new ATOM 1410 N LEU A 88 -2.735 6.060 18.999 1.00 14.13 N ATOM 1411 CA LEU A 88 -1.330 5.784 19.278 1.00 13.44 C ATOM 1412 C LEU A 88 -0.849 4.566 18.497 1.00 30.24 C ATOM 1413 O LEU A 88 0.337 4.440 18.192 1.00 31.52 O ATOM 1414 CB LEU A 88 -1.122 5.559 20.777 1.00 74.40 C ATOM 1415 CG LEU A 88 -1.400 4.144 21.288 1.00 53.44 C ATOM 1416 CD1 LEU A 88 -2.807 3.708 20.911 1.00 74.33 C ATOM 1417 CD2 LEU A 88 -0.371 3.167 20.738 1.00 14.11 C ATOM 0 H LEU A 88 -3.362 5.888 19.785 1.00 14.13 H new ATOM 0 HA LEU A 88 -0.746 6.648 18.962 1.00 13.44 H new ATOM 0 HB2 LEU A 88 -0.092 5.817 21.023 1.00 74.40 H new ATOM 0 HB3 LEU A 88 -1.763 6.253 21.321 1.00 74.40 H new ATOM 0 HG LEU A 88 -1.322 4.148 22.375 1.00 53.44 H new ATOM 0 HD11 LEU A 88 -2.987 2.699 21.283 1.00 74.33 H new ATOM 0 HD12 LEU A 88 -3.531 4.392 21.354 1.00 74.33 H new ATOM 0 HD13 LEU A 88 -2.913 3.719 19.826 1.00 74.33 H new ATOM 0 HD21 LEU A 88 -0.584 2.165 21.112 1.00 14.11 H new ATOM 0 HD22 LEU A 88 -0.417 3.165 19.649 1.00 14.11 H new ATOM 0 HD23 LEU A 88 0.626 3.470 21.059 1.00 14.11 H new ATOM 1429 N VAL A 89 -1.778 3.671 18.175 1.00 41.33 N ATOM 1430 CA VAL A 89 -1.449 2.464 17.426 1.00 14.10 C ATOM 1431 C VAL A 89 -0.946 2.804 16.028 1.00 53.53 C ATOM 1432 O VAL A 89 -0.129 2.081 15.458 1.00 41.41 O ATOM 1433 CB VAL A 89 -2.667 1.528 17.308 1.00 50.22 C ATOM 1434 CG1 VAL A 89 -2.453 0.510 16.198 1.00 5.22 C ATOM 1435 CG2 VAL A 89 -2.936 0.834 18.635 1.00 42.34 C ATOM 0 H VAL A 89 -2.764 3.759 18.421 1.00 41.33 H new ATOM 0 HA VAL A 89 -0.660 1.954 17.978 1.00 14.10 H new ATOM 0 HB VAL A 89 -3.541 2.128 17.054 1.00 50.22 H new ATOM 0 HG11 VAL A 89 -3.324 -0.142 16.130 1.00 5.22 H new ATOM 0 HG12 VAL A 89 -2.313 1.029 15.250 1.00 5.22 H new ATOM 0 HG13 VAL A 89 -1.568 -0.088 16.418 1.00 5.22 H new ATOM 0 HG21 VAL A 89 -3.800 0.177 18.533 1.00 42.34 H new ATOM 0 HG22 VAL A 89 -2.064 0.246 18.921 1.00 42.34 H new ATOM 0 HG23 VAL A 89 -3.137 1.582 19.402 1.00 42.34 H new ATOM 1445 N ASP A 90 -1.439 3.910 15.481 1.00 74.15 N ATOM 1446 CA ASP A 90 -1.039 4.348 14.149 1.00 43.14 C ATOM 1447 C ASP A 90 0.455 4.129 13.931 1.00 2.40 C ATOM 1448 O ASP A 90 0.864 3.508 12.951 1.00 62.40 O ATOM 1449 CB ASP A 90 -1.385 5.824 13.948 1.00 11.44 C ATOM 1450 CG ASP A 90 -1.403 6.222 12.485 1.00 31.44 C ATOM 1451 OD1 ASP A 90 -1.375 5.317 11.624 1.00 14.23 O ATOM 1452 OD2 ASP A 90 -1.446 7.437 12.201 1.00 23.35 O ATOM 0 H ASP A 90 -2.116 4.519 15.940 1.00 74.15 H new ATOM 0 HA ASP A 90 -1.586 3.752 13.418 1.00 43.14 H new ATOM 0 HB2 ASP A 90 -2.361 6.028 14.389 1.00 11.44 H new ATOM 0 HB3 ASP A 90 -0.660 6.440 14.480 1.00 11.44 H new ATOM 1457 N GLN A 91 1.264 4.646 14.851 1.00 72.31 N ATOM 1458 CA GLN A 91 2.712 4.508 14.758 1.00 64.11 C ATOM 1459 C GLN A 91 3.155 3.111 15.182 1.00 12.42 C ATOM 1460 O GLN A 91 3.730 2.363 14.390 1.00 14.33 O ATOM 1461 CB GLN A 91 3.403 5.561 15.627 1.00 71.51 C ATOM 1462 CG GLN A 91 3.986 6.718 14.832 1.00 11.05 C ATOM 1463 CD GLN A 91 4.401 7.880 15.713 1.00 21.13 C ATOM 1464 OE1 GLN A 91 5.077 7.696 16.726 1.00 62.32 O ATOM 1465 NE2 GLN A 91 3.998 9.086 15.332 1.00 53.13 N ATOM 0 H GLN A 91 0.941 5.164 15.668 1.00 72.31 H new ATOM 0 HA GLN A 91 3.000 4.660 13.718 1.00 64.11 H new ATOM 0 HB2 GLN A 91 2.686 5.952 16.349 1.00 71.51 H new ATOM 0 HB3 GLN A 91 4.201 5.084 16.196 1.00 71.51 H new ATOM 0 HG2 GLN A 91 4.850 6.367 14.268 1.00 11.05 H new ATOM 0 HG3 GLN A 91 3.250 7.062 14.106 1.00 11.05 H new ATOM 0 HE21 GLN A 91 3.439 9.193 14.485 1.00 53.13 H new ATOM 0 HE22 GLN A 91 4.247 9.906 15.886 1.00 53.13 H new ATOM 1474 N LEU A 92 2.884 2.766 16.436 1.00 11.00 N ATOM 1475 CA LEU A 92 3.254 1.459 16.967 1.00 63.55 C ATOM 1476 C LEU A 92 3.091 0.374 15.906 1.00 11.41 C ATOM 1477 O LEU A 92 4.040 -0.341 15.584 1.00 54.32 O ATOM 1478 CB LEU A 92 2.401 1.123 18.191 1.00 23.21 C ATOM 1479 CG LEU A 92 2.537 -0.300 18.734 1.00 60.20 C ATOM 1480 CD1 LEU A 92 1.605 -1.246 17.992 1.00 2.31 C ATOM 1481 CD2 LEU A 92 3.978 -0.776 18.627 1.00 24.45 C ATOM 0 H LEU A 92 2.409 3.373 17.104 1.00 11.00 H new ATOM 0 HA LEU A 92 4.302 1.498 17.263 1.00 63.55 H new ATOM 0 HB2 LEU A 92 2.655 1.821 18.989 1.00 23.21 H new ATOM 0 HB3 LEU A 92 1.355 1.296 17.938 1.00 23.21 H new ATOM 0 HG LEU A 92 2.254 -0.295 19.787 1.00 60.20 H new ATOM 0 HD11 LEU A 92 1.716 -2.254 18.392 1.00 2.31 H new ATOM 0 HD12 LEU A 92 0.574 -0.916 18.120 1.00 2.31 H new ATOM 0 HD13 LEU A 92 1.857 -1.247 16.931 1.00 2.31 H new ATOM 0 HD21 LEU A 92 4.056 -1.790 19.018 1.00 24.45 H new ATOM 0 HD22 LEU A 92 4.288 -0.765 17.582 1.00 24.45 H new ATOM 0 HD23 LEU A 92 4.624 -0.114 19.204 1.00 24.45 H new ATOM 1493 N SER A 93 1.882 0.260 15.366 1.00 70.14 N ATOM 1494 CA SER A 93 1.594 -0.738 14.342 1.00 14.01 C ATOM 1495 C SER A 93 2.539 -0.587 13.154 1.00 12.52 C ATOM 1496 O SER A 93 3.031 -1.574 12.607 1.00 34.33 O ATOM 1497 CB SER A 93 0.143 -0.614 13.873 1.00 13.31 C ATOM 1498 OG SER A 93 -0.051 -1.272 12.633 1.00 5.30 O ATOM 0 H SER A 93 1.087 0.846 15.620 1.00 70.14 H new ATOM 0 HA SER A 93 1.744 -1.725 14.780 1.00 14.01 H new ATOM 0 HB2 SER A 93 -0.522 -1.042 14.623 1.00 13.31 H new ATOM 0 HB3 SER A 93 -0.122 0.439 13.775 1.00 13.31 H new ATOM 0 HG SER A 93 -0.987 -1.179 12.356 1.00 5.30 H new ATOM 1504 N HIS A 94 2.789 0.658 12.760 1.00 54.14 N ATOM 1505 CA HIS A 94 3.675 0.941 11.637 1.00 63.45 C ATOM 1506 C HIS A 94 5.130 0.680 12.014 1.00 24.32 C ATOM 1507 O HIS A 94 6.038 0.892 11.210 1.00 51.25 O ATOM 1508 CB HIS A 94 3.507 2.390 11.179 1.00 61.34 C ATOM 1509 CG HIS A 94 3.794 2.595 9.723 1.00 30.00 C ATOM 1510 ND1 HIS A 94 3.281 1.784 8.733 1.00 31.31 N ATOM 1511 CD2 HIS A 94 4.545 3.528 9.092 1.00 75.24 C ATOM 1512 CE1 HIS A 94 3.705 2.207 7.556 1.00 52.51 C ATOM 1513 NE2 HIS A 94 4.473 3.265 7.746 1.00 40.04 N ATOM 0 H HIS A 94 2.390 1.486 13.202 1.00 54.14 H new ATOM 0 HA HIS A 94 3.405 0.275 10.817 1.00 63.45 H new ATOM 0 HB2 HIS A 94 2.487 2.713 11.389 1.00 61.34 H new ATOM 0 HB3 HIS A 94 4.170 3.027 11.765 1.00 61.34 H new ATOM 0 HD2 HIS A 94 5.098 4.329 9.560 1.00 75.24 H new ATOM 0 HE1 HIS A 94 3.465 1.764 6.601 1.00 52.51 H new ATOM 0 HE2 HIS A 94 4.937 3.800 7.012 1.00 40.04 H new ATOM 1521 N ILE A 95 5.344 0.219 13.242 1.00 44.20 N ATOM 1522 CA ILE A 95 6.689 -0.071 13.725 1.00 13.41 C ATOM 1523 C ILE A 95 6.905 -1.572 13.881 1.00 0.03 C ATOM 1524 O ILE A 95 8.031 -2.061 13.783 1.00 3.33 O ATOM 1525 CB ILE A 95 6.963 0.619 15.074 1.00 11.35 C ATOM 1526 CG1 ILE A 95 7.008 2.138 14.896 1.00 53.23 C ATOM 1527 CG2 ILE A 95 8.266 0.112 15.673 1.00 4.33 C ATOM 1528 CD1 ILE A 95 6.680 2.905 16.158 1.00 42.12 C ATOM 0 H ILE A 95 4.604 0.038 13.920 1.00 44.20 H new ATOM 0 HA ILE A 95 7.383 0.318 12.980 1.00 13.41 H new ATOM 0 HB ILE A 95 6.151 0.377 15.760 1.00 11.35 H new ATOM 0 HG12 ILE A 95 8.002 2.426 14.554 1.00 53.23 H new ATOM 0 HG13 ILE A 95 6.306 2.425 14.113 1.00 53.23 H new ATOM 0 HG21 ILE A 95 8.446 0.609 16.626 1.00 4.33 H new ATOM 0 HG22 ILE A 95 8.199 -0.964 15.832 1.00 4.33 H new ATOM 0 HG23 ILE A 95 9.088 0.327 14.991 1.00 4.33 H new ATOM 0 HD11 ILE A 95 6.731 3.975 15.957 1.00 42.12 H new ATOM 0 HD12 ILE A 95 5.675 2.646 16.490 1.00 42.12 H new ATOM 0 HD13 ILE A 95 7.397 2.647 16.937 1.00 42.12 H new