USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 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= -0.0461 X(o=-0.046,f=-0.49) 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+ -118:sc= -2.5! (180deg=-5.65!) 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 -48:sc= 0.296 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.476) 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+ 180:sc= 0 (180deg=0) 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 -142:sc= -2.27 (180deg=-4.03!) USER MOD Single : A 84 ASN : amide:sc= -0.252 K(o=-0.25,f=-4.1!) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 93 SER OG : rot -80:sc= 0.487 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.981 -4.767 18.064 1.00 4.14 N ATOM 165 CA ARG A 12 11.952 -4.758 19.522 1.00 52.30 C ATOM 166 C ARG A 12 11.600 -3.370 20.050 1.00 44.21 C ATOM 167 O ARG A 12 10.751 -3.227 20.929 1.00 40.14 O ATOM 168 CB ARG A 12 13.304 -5.201 20.084 1.00 71.44 C ATOM 169 CG ARG A 12 13.313 -5.360 21.595 1.00 2.32 C ATOM 170 CD ARG A 12 14.686 -5.771 22.104 1.00 40.31 C ATOM 171 NE ARG A 12 15.634 -4.660 22.078 1.00 64.41 N ATOM 172 CZ ARG A 12 16.893 -4.759 22.491 1.00 31.04 C ATOM 173 NH1 ARG A 12 17.352 -5.911 22.960 1.00 71.30 N ATOM 174 NH2 ARG A 12 17.695 -3.704 22.436 1.00 3.43 N ATOM 0 HA ARG A 12 11.184 -5.459 19.849 1.00 52.30 H new ATOM 0 HB2 ARG A 12 13.585 -6.149 19.626 1.00 71.44 H new ATOM 0 HB3 ARG A 12 14.063 -4.472 19.799 1.00 71.44 H new ATOM 0 HG2 ARG A 12 13.017 -4.421 22.062 1.00 2.32 H new ATOM 0 HG3 ARG A 12 12.576 -6.108 21.888 1.00 2.32 H new ATOM 0 HD2 ARG A 12 14.597 -6.148 23.123 1.00 40.31 H new ATOM 0 HD3 ARG A 12 15.069 -6.589 21.494 1.00 40.31 H new ATOM 0 HE ARG A 12 15.312 -3.759 21.724 1.00 64.41 H new ATOM 0 HH11 ARG A 12 16.738 -6.724 23.004 1.00 71.30 H new ATOM 0 HH12 ARG A 12 18.319 -5.984 23.276 1.00 71.30 H new ATOM 0 HH21 ARG A 12 17.345 -2.816 22.076 1.00 3.43 H new ATOM 0 HH22 ARG A 12 18.661 -3.781 22.753 1.00 3.43 H new ATOM 188 N GLU A 13 12.261 -2.351 19.508 1.00 74.34 N ATOM 189 CA GLU A 13 12.018 -0.976 19.926 1.00 42.54 C ATOM 190 C GLU A 13 10.608 -0.532 19.547 1.00 60.22 C ATOM 191 O GLU A 13 10.073 0.422 20.111 1.00 23.21 O ATOM 192 CB GLU A 13 13.047 -0.037 19.291 1.00 23.53 C ATOM 193 CG GLU A 13 14.150 0.391 20.245 1.00 32.11 C ATOM 194 CD GLU A 13 13.857 1.719 20.916 1.00 20.34 C ATOM 195 OE1 GLU A 13 13.399 2.648 20.220 1.00 41.22 O ATOM 196 OE2 GLU A 13 14.086 1.827 22.139 1.00 11.54 O ATOM 0 H GLU A 13 12.968 -2.452 18.780 1.00 74.34 H new ATOM 0 HA GLU A 13 12.115 -0.931 21.011 1.00 42.54 H new ATOM 0 HB2 GLU A 13 13.495 -0.532 18.429 1.00 23.53 H new ATOM 0 HB3 GLU A 13 12.536 0.851 18.919 1.00 23.53 H new ATOM 0 HG2 GLU A 13 14.283 -0.376 21.008 1.00 32.11 H new ATOM 0 HG3 GLU A 13 15.090 0.464 19.698 1.00 32.11 H new ATOM 203 N ALA A 14 10.012 -1.232 18.587 1.00 41.32 N ATOM 204 CA ALA A 14 8.664 -0.912 18.133 1.00 63.00 C ATOM 205 C ALA A 14 7.626 -1.295 19.182 1.00 24.43 C ATOM 206 O ALA A 14 6.653 -0.572 19.401 1.00 25.33 O ATOM 207 CB ALA A 14 8.370 -1.615 16.816 1.00 44.42 C ATOM 0 H ALA A 14 10.441 -2.024 18.109 1.00 41.32 H new ATOM 0 HA ALA A 14 8.606 0.165 17.978 1.00 63.00 H new ATOM 0 HB1 ALA A 14 7.360 -1.367 16.489 1.00 44.42 H new ATOM 0 HB2 ALA A 14 9.086 -1.289 16.062 1.00 44.42 H new ATOM 0 HB3 ALA A 14 8.453 -2.693 16.953 1.00 44.42 H new ATOM 213 N LEU A 15 7.839 -2.437 19.828 1.00 14.42 N ATOM 214 CA LEU A 15 6.920 -2.917 20.855 1.00 4.21 C ATOM 215 C LEU A 15 6.919 -1.986 22.063 1.00 4.42 C ATOM 216 O LEU A 15 5.878 -1.747 22.676 1.00 31.31 O ATOM 217 CB LEU A 15 7.304 -4.333 21.288 1.00 1.35 C ATOM 218 CG LEU A 15 6.972 -4.706 22.734 1.00 52.53 C ATOM 219 CD1 LEU A 15 5.475 -4.602 22.981 1.00 52.20 C ATOM 220 CD2 LEU A 15 7.471 -6.108 23.051 1.00 53.30 C ATOM 0 H LEU A 15 8.639 -3.047 19.659 1.00 14.42 H new ATOM 0 HA LEU A 15 5.916 -2.933 20.431 1.00 4.21 H new ATOM 0 HB2 LEU A 15 6.805 -5.042 20.627 1.00 1.35 H new ATOM 0 HB3 LEU A 15 8.376 -4.459 21.138 1.00 1.35 H new ATOM 0 HG LEU A 15 7.478 -4.004 23.396 1.00 52.53 H new ATOM 0 HD11 LEU A 15 5.257 -4.871 24.015 1.00 52.20 H new ATOM 0 HD12 LEU A 15 5.146 -3.580 22.795 1.00 52.20 H new ATOM 0 HD13 LEU A 15 4.948 -5.281 22.311 1.00 52.20 H new ATOM 0 HD21 LEU A 15 7.226 -6.357 24.084 1.00 53.30 H new ATOM 0 HD22 LEU A 15 6.993 -6.824 22.382 1.00 53.30 H new ATOM 0 HD23 LEU A 15 8.552 -6.149 22.914 1.00 53.30 H new ATOM 232 N LEU A 16 8.092 -1.460 22.399 1.00 22.14 N ATOM 233 CA LEU A 16 8.227 -0.552 23.533 1.00 20.23 C ATOM 234 C LEU A 16 7.553 0.785 23.243 1.00 34.15 C ATOM 235 O LEU A 16 6.898 1.362 24.112 1.00 43.12 O ATOM 236 CB LEU A 16 9.705 -0.331 23.862 1.00 55.44 C ATOM 237 CG LEU A 16 10.612 -1.555 23.732 1.00 52.40 C ATOM 238 CD1 LEU A 16 12.071 -1.158 23.898 1.00 55.35 C ATOM 239 CD2 LEU A 16 10.226 -2.615 24.753 1.00 4.34 C ATOM 0 H LEU A 16 8.963 -1.647 21.902 1.00 22.14 H new ATOM 0 HA LEU A 16 7.734 -1.007 24.392 1.00 20.23 H new ATOM 0 HB2 LEU A 16 10.089 0.452 23.208 1.00 55.44 H new ATOM 0 HB3 LEU A 16 9.777 0.043 24.883 1.00 55.44 H new ATOM 0 HG LEU A 16 10.483 -1.976 22.735 1.00 52.40 H new ATOM 0 HD11 LEU A 16 12.702 -2.042 23.802 1.00 55.35 H new ATOM 0 HD12 LEU A 16 12.341 -0.435 23.129 1.00 55.35 H new ATOM 0 HD13 LEU A 16 12.217 -0.713 24.882 1.00 55.35 H new ATOM 0 HD21 LEU A 16 10.882 -3.479 24.646 1.00 4.34 H new ATOM 0 HD22 LEU A 16 10.326 -2.206 25.758 1.00 4.34 H new ATOM 0 HD23 LEU A 16 9.193 -2.921 24.587 1.00 4.34 H new ATOM 251 N TRP A 17 7.715 1.270 22.018 1.00 60.21 N ATOM 252 CA TRP A 17 7.120 2.538 21.613 1.00 53.31 C ATOM 253 C TRP A 17 5.642 2.364 21.280 1.00 41.41 C ATOM 254 O TRP A 17 4.864 3.315 21.351 1.00 44.52 O ATOM 255 CB TRP A 17 7.863 3.112 20.406 1.00 63.24 C ATOM 256 CG TRP A 17 8.435 4.475 20.653 1.00 50.02 C ATOM 257 CD1 TRP A 17 9.363 4.816 21.595 1.00 13.22 C ATOM 258 CD2 TRP A 17 8.115 5.679 19.948 1.00 54.31 C ATOM 259 NE1 TRP A 17 9.638 6.160 21.519 1.00 43.24 N ATOM 260 CE2 TRP A 17 8.886 6.712 20.516 1.00 42.15 C ATOM 261 CE3 TRP A 17 7.253 5.985 18.891 1.00 13.44 C ATOM 262 CZ2 TRP A 17 8.819 8.027 20.062 1.00 61.45 C ATOM 263 CZ3 TRP A 17 7.187 7.291 18.442 1.00 20.42 C ATOM 264 CH2 TRP A 17 7.967 8.298 19.026 1.00 73.11 C ATOM 0 H TRP A 17 8.254 0.804 21.287 1.00 60.21 H new ATOM 0 HA TRP A 17 7.206 3.234 22.448 1.00 53.31 H new ATOM 0 HB2 TRP A 17 8.669 2.433 20.128 1.00 63.24 H new ATOM 0 HB3 TRP A 17 7.180 3.161 19.558 1.00 63.24 H new ATOM 0 HD1 TRP A 17 9.814 4.130 22.297 1.00 13.22 H new ATOM 0 HE1 TRP A 17 10.296 6.665 22.113 1.00 43.24 H new ATOM 0 HE3 TRP A 17 6.649 5.215 18.433 1.00 13.44 H new ATOM 0 HZ2 TRP A 17 9.418 8.805 20.512 1.00 61.45 H new ATOM 0 HZ3 TRP A 17 6.523 7.539 17.627 1.00 20.42 H new ATOM 0 HH2 TRP A 17 7.894 9.308 18.651 1.00 73.11 H new ATOM 275 N ALA A 18 5.261 1.144 20.917 1.00 43.04 N ATOM 276 CA ALA A 18 3.876 0.846 20.575 1.00 60.01 C ATOM 277 C ALA A 18 3.003 0.789 21.824 1.00 73.33 C ATOM 278 O ALA A 18 2.095 1.603 21.997 1.00 2.31 O ATOM 279 CB ALA A 18 3.792 -0.466 19.809 1.00 51.01 C ATOM 0 H ALA A 18 5.892 0.346 20.852 1.00 43.04 H new ATOM 0 HA ALA A 18 3.503 1.649 19.939 1.00 60.01 H new ATOM 0 HB1 ALA A 18 2.752 -0.676 19.560 1.00 51.01 H new ATOM 0 HB2 ALA A 18 4.376 -0.390 18.892 1.00 51.01 H new ATOM 0 HB3 ALA A 18 4.188 -1.273 20.425 1.00 51.01 H new ATOM 285 N LEU A 19 3.281 -0.178 22.691 1.00 64.42 N ATOM 286 CA LEU A 19 2.520 -0.343 23.924 1.00 3.54 C ATOM 287 C LEU A 19 2.663 0.884 24.820 1.00 51.24 C ATOM 288 O LEU A 19 1.899 1.066 25.767 1.00 34.22 O ATOM 289 CB LEU A 19 2.988 -1.592 24.673 1.00 3.42 C ATOM 290 CG LEU A 19 4.188 -1.407 25.603 1.00 41.31 C ATOM 291 CD1 LEU A 19 5.179 -0.420 25.006 1.00 50.42 C ATOM 292 CD2 LEU A 19 3.731 -0.941 26.977 1.00 11.35 C ATOM 0 H LEU A 19 4.028 -0.860 22.563 1.00 64.42 H new ATOM 0 HA LEU A 19 1.469 -0.458 23.660 1.00 3.54 H new ATOM 0 HB2 LEU A 19 2.153 -1.973 25.261 1.00 3.42 H new ATOM 0 HB3 LEU A 19 3.237 -2.359 23.940 1.00 3.42 H new ATOM 0 HG LEU A 19 4.688 -2.369 25.715 1.00 41.31 H new ATOM 0 HD11 LEU A 19 6.026 -0.301 25.682 1.00 50.42 H new ATOM 0 HD12 LEU A 19 5.531 -0.794 24.045 1.00 50.42 H new ATOM 0 HD13 LEU A 19 4.691 0.544 24.863 1.00 50.42 H new ATOM 0 HD21 LEU A 19 4.598 -0.815 27.625 1.00 11.35 H new ATOM 0 HD22 LEU A 19 3.207 0.010 26.883 1.00 11.35 H new ATOM 0 HD23 LEU A 19 3.060 -1.684 27.409 1.00 11.35 H new ATOM 304 N SER A 20 3.645 1.725 24.511 1.00 25.40 N ATOM 305 CA SER A 20 3.889 2.934 25.288 1.00 24.15 C ATOM 306 C SER A 20 3.059 4.098 24.757 1.00 41.21 C ATOM 307 O SER A 20 2.781 5.057 25.478 1.00 45.05 O ATOM 308 CB SER A 20 5.376 3.296 25.256 1.00 74.45 C ATOM 309 OG SER A 20 5.604 4.567 25.839 1.00 21.40 O ATOM 0 H SER A 20 4.285 1.591 23.728 1.00 25.40 H new ATOM 0 HA SER A 20 3.592 2.739 26.319 1.00 24.15 H new ATOM 0 HB2 SER A 20 5.949 2.539 25.791 1.00 74.45 H new ATOM 0 HB3 SER A 20 5.731 3.296 24.226 1.00 74.45 H new ATOM 0 HG SER A 20 6.561 4.774 25.808 1.00 21.40 H new ATOM 315 N ASP A 21 2.666 4.007 23.491 1.00 30.33 N ATOM 316 CA ASP A 21 1.866 5.051 22.862 1.00 43.23 C ATOM 317 C ASP A 21 0.460 5.089 23.451 1.00 31.44 C ATOM 318 O ASP A 21 -0.187 6.137 23.477 1.00 64.23 O ATOM 319 CB ASP A 21 1.793 4.826 21.351 1.00 43.14 C ATOM 320 CG ASP A 21 2.255 6.036 20.562 1.00 31.11 C ATOM 321 OD1 ASP A 21 3.411 6.466 20.758 1.00 42.05 O ATOM 322 OD2 ASP A 21 1.460 6.552 19.749 1.00 4.10 O ATOM 0 H ASP A 21 2.889 3.221 22.880 1.00 30.33 H new ATOM 0 HA ASP A 21 2.347 6.009 23.057 1.00 43.23 H new ATOM 0 HB2 ASP A 21 2.407 3.966 21.085 1.00 43.14 H new ATOM 0 HB3 ASP A 21 0.768 4.584 21.072 1.00 43.14 H new ATOM 327 N LEU A 22 -0.009 3.939 23.924 1.00 63.13 N ATOM 328 CA LEU A 22 -1.340 3.839 24.513 1.00 44.33 C ATOM 329 C LEU A 22 -1.286 4.066 26.020 1.00 14.02 C ATOM 330 O LEU A 22 -0.239 3.904 26.645 1.00 44.14 O ATOM 331 CB LEU A 22 -1.950 2.469 24.213 1.00 54.32 C ATOM 332 CG LEU A 22 -0.965 1.306 24.097 1.00 62.05 C ATOM 333 CD1 LEU A 22 -1.517 0.068 24.786 1.00 62.22 C ATOM 334 CD2 LEU A 22 -0.656 1.012 22.636 1.00 53.44 C ATOM 0 H LEU A 22 0.513 3.063 23.911 1.00 63.13 H new ATOM 0 HA LEU A 22 -1.966 4.613 24.070 1.00 44.33 H new ATOM 0 HB2 LEU A 22 -2.668 2.234 24.999 1.00 54.32 H new ATOM 0 HB3 LEU A 22 -2.510 2.539 23.280 1.00 54.32 H new ATOM 0 HG LEU A 22 -0.037 1.590 24.594 1.00 62.05 H new ATOM 0 HD11 LEU A 22 -0.802 -0.749 24.693 1.00 62.22 H new ATOM 0 HD12 LEU A 22 -1.686 0.284 25.841 1.00 62.22 H new ATOM 0 HD13 LEU A 22 -2.459 -0.219 24.319 1.00 62.22 H new ATOM 0 HD21 LEU A 22 0.047 0.181 22.573 1.00 53.44 H new ATOM 0 HD22 LEU A 22 -1.577 0.749 22.115 1.00 53.44 H new ATOM 0 HD23 LEU A 22 -0.217 1.895 22.172 1.00 53.44 H new ATOM 346 N GLU A 23 -2.424 4.440 26.598 1.00 61.41 N ATOM 347 CA GLU A 23 -2.506 4.687 28.033 1.00 60.24 C ATOM 348 C GLU A 23 -2.396 3.382 28.817 1.00 51.23 C ATOM 349 O GLU A 23 -2.613 2.300 28.273 1.00 35.11 O ATOM 350 CB GLU A 23 -3.819 5.392 28.377 1.00 53.42 C ATOM 351 CG GLU A 23 -3.866 6.844 27.929 1.00 21.35 C ATOM 352 CD GLU A 23 -4.955 7.635 28.627 1.00 34.43 C ATOM 353 OE1 GLU A 23 -5.256 7.323 29.799 1.00 75.45 O ATOM 354 OE2 GLU A 23 -5.507 8.565 28.003 1.00 61.42 O ATOM 0 H GLU A 23 -3.301 4.578 26.095 1.00 61.41 H new ATOM 0 HA GLU A 23 -1.672 5.330 28.313 1.00 60.24 H new ATOM 0 HB2 GLU A 23 -4.644 4.851 27.914 1.00 53.42 H new ATOM 0 HB3 GLU A 23 -3.974 5.348 29.455 1.00 53.42 H new ATOM 0 HG2 GLU A 23 -2.901 7.312 28.124 1.00 21.35 H new ATOM 0 HG3 GLU A 23 -4.028 6.883 26.852 1.00 21.35 H new ATOM 361 N GLU A 24 -2.057 3.495 30.097 1.00 23.20 N ATOM 362 CA GLU A 24 -1.917 2.324 30.955 1.00 4.33 C ATOM 363 C GLU A 24 -3.262 1.633 31.157 1.00 51.22 C ATOM 364 O GLU A 24 -3.333 0.411 31.272 1.00 25.54 O ATOM 365 CB GLU A 24 -1.329 2.725 32.310 1.00 64.01 C ATOM 366 CG GLU A 24 -2.184 3.722 33.074 1.00 71.41 C ATOM 367 CD GLU A 24 -1.390 4.916 33.565 1.00 3.14 C ATOM 368 OE1 GLU A 24 -1.213 5.874 32.784 1.00 14.24 O ATOM 369 OE2 GLU A 24 -0.945 4.892 34.732 1.00 5.21 O ATOM 0 H GLU A 24 -1.874 4.384 30.562 1.00 23.20 H new ATOM 0 HA GLU A 24 -1.239 1.625 30.465 1.00 4.33 H new ATOM 0 HB2 GLU A 24 -1.198 1.830 32.919 1.00 64.01 H new ATOM 0 HB3 GLU A 24 -0.339 3.153 32.154 1.00 64.01 H new ATOM 0 HG2 GLU A 24 -2.993 4.068 32.431 1.00 71.41 H new ATOM 0 HG3 GLU A 24 -2.645 3.222 33.926 1.00 71.41 H new ATOM 376 N ASN A 25 -4.328 2.426 31.198 1.00 3.54 N ATOM 377 CA ASN A 25 -5.671 1.892 31.387 1.00 15.12 C ATOM 378 C ASN A 25 -6.174 1.221 30.113 1.00 61.43 C ATOM 379 O ASN A 25 -7.322 0.782 30.041 1.00 52.41 O ATOM 380 CB ASN A 25 -6.633 3.008 31.802 1.00 21.43 C ATOM 381 CG ASN A 25 -7.304 2.727 33.133 1.00 73.12 C ATOM 382 OD1 ASN A 25 -6.676 2.222 34.063 1.00 32.24 O ATOM 383 ND2 ASN A 25 -8.588 3.054 33.228 1.00 21.21 N ATOM 0 H ASN A 25 -4.287 3.441 31.103 1.00 3.54 H new ATOM 0 HA ASN A 25 -5.629 1.144 32.179 1.00 15.12 H new ATOM 0 HB2 ASN A 25 -6.088 3.950 31.865 1.00 21.43 H new ATOM 0 HB3 ASN A 25 -7.395 3.132 31.033 1.00 21.43 H new ATOM 0 HD21 ASN A 25 -9.093 2.888 34.098 1.00 21.21 H new ATOM 0 HD22 ASN A 25 -9.068 3.471 32.431 1.00 21.21 H new ATOM 390 N ASP A 26 -5.306 1.143 29.110 1.00 51.10 N ATOM 391 CA ASP A 26 -5.660 0.524 27.838 1.00 34.53 C ATOM 392 C ASP A 26 -4.875 -0.767 27.625 1.00 42.42 C ATOM 393 O ASP A 26 -5.455 -1.832 27.415 1.00 15.12 O ATOM 394 CB ASP A 26 -5.398 1.492 26.684 1.00 1.10 C ATOM 395 CG ASP A 26 -6.320 2.695 26.716 1.00 33.23 C ATOM 396 OD1 ASP A 26 -6.721 3.105 27.825 1.00 32.14 O ATOM 397 OD2 ASP A 26 -6.642 3.225 25.632 1.00 11.43 O ATOM 0 H ASP A 26 -4.352 1.501 29.153 1.00 51.10 H new ATOM 0 HA ASP A 26 -6.722 0.282 27.863 1.00 34.53 H new ATOM 0 HB2 ASP A 26 -4.363 1.830 26.726 1.00 1.10 H new ATOM 0 HB3 ASP A 26 -5.524 0.967 25.737 1.00 1.10 H new ATOM 402 N PHE A 27 -3.551 -0.663 27.678 1.00 10.03 N ATOM 403 CA PHE A 27 -2.685 -1.821 27.489 1.00 73.03 C ATOM 404 C PHE A 27 -2.951 -2.879 28.555 1.00 34.51 C ATOM 405 O PHE A 27 -2.933 -4.078 28.275 1.00 35.20 O ATOM 406 CB PHE A 27 -1.215 -1.398 27.530 1.00 55.32 C ATOM 407 CG PHE A 27 -0.430 -2.064 28.623 1.00 70.42 C ATOM 408 CD1 PHE A 27 -0.381 -1.514 29.893 1.00 4.33 C ATOM 409 CD2 PHE A 27 0.258 -3.242 28.380 1.00 64.11 C ATOM 410 CE1 PHE A 27 0.342 -2.125 30.900 1.00 1.24 C ATOM 411 CE2 PHE A 27 0.982 -3.858 29.383 1.00 5.04 C ATOM 412 CZ PHE A 27 1.023 -3.299 30.646 1.00 44.04 C ATOM 0 H PHE A 27 -3.055 0.211 27.850 1.00 10.03 H new ATOM 0 HA PHE A 27 -2.905 -2.251 26.512 1.00 73.03 H new ATOM 0 HB2 PHE A 27 -0.752 -1.627 26.570 1.00 55.32 H new ATOM 0 HB3 PHE A 27 -1.160 -0.317 27.661 1.00 55.32 H new ATOM 0 HD1 PHE A 27 -0.914 -0.597 30.099 1.00 4.33 H new ATOM 0 HD2 PHE A 27 0.228 -3.684 27.395 1.00 64.11 H new ATOM 0 HE1 PHE A 27 0.374 -1.684 31.885 1.00 1.24 H new ATOM 0 HE2 PHE A 27 1.515 -4.775 29.180 1.00 5.04 H new ATOM 0 HZ PHE A 27 1.586 -3.779 31.433 1.00 44.04 H new ATOM 422 N LYS A 28 -3.198 -2.428 29.780 1.00 2.51 N ATOM 423 CA LYS A 28 -3.469 -3.333 30.890 1.00 24.22 C ATOM 424 C LYS A 28 -4.760 -4.110 30.656 1.00 13.00 C ATOM 425 O LYS A 28 -4.819 -5.319 30.879 1.00 31.34 O ATOM 426 CB LYS A 28 -3.562 -2.551 32.202 1.00 31.13 C ATOM 427 CG LYS A 28 -4.012 -3.395 33.383 1.00 43.24 C ATOM 428 CD LYS A 28 -4.026 -2.589 34.671 1.00 41.03 C ATOM 429 CE LYS A 28 -5.233 -1.667 34.738 1.00 54.51 C ATOM 430 NZ LYS A 28 -5.477 -1.171 36.121 1.00 64.10 N ATOM 0 H LYS A 28 -3.216 -1.439 30.029 1.00 2.51 H new ATOM 0 HA LYS A 28 -2.645 -4.044 30.956 1.00 24.22 H new ATOM 0 HB2 LYS A 28 -2.588 -2.117 32.427 1.00 31.13 H new ATOM 0 HB3 LYS A 28 -4.258 -1.722 32.073 1.00 31.13 H new ATOM 0 HG2 LYS A 28 -5.009 -3.791 33.190 1.00 43.24 H new ATOM 0 HG3 LYS A 28 -3.346 -4.250 33.495 1.00 43.24 H new ATOM 0 HD2 LYS A 28 -4.036 -3.266 35.525 1.00 41.03 H new ATOM 0 HD3 LYS A 28 -3.112 -1.999 34.743 1.00 41.03 H new ATOM 0 HE2 LYS A 28 -5.080 -0.819 34.070 1.00 54.51 H new ATOM 0 HE3 LYS A 28 -6.116 -2.198 34.382 1.00 54.51 H new ATOM 0 HZ1 LYS A 28 -6.308 -0.546 36.124 1.00 64.10 H new ATOM 0 HZ2 LYS A 28 -5.649 -1.978 36.754 1.00 64.10 H new ATOM 0 HZ3 LYS A 28 -4.645 -0.642 36.452 1.00 64.10 H new ATOM 444 N LYS A 29 -5.794 -3.408 30.203 1.00 24.13 N ATOM 445 CA LYS A 29 -7.084 -4.031 29.936 1.00 73.44 C ATOM 446 C LYS A 29 -6.929 -5.220 28.992 1.00 32.25 C ATOM 447 O LYS A 29 -7.600 -6.241 29.149 1.00 62.50 O ATOM 448 CB LYS A 29 -8.051 -3.011 29.332 1.00 54.41 C ATOM 449 CG LYS A 29 -9.271 -2.743 30.197 1.00 50.23 C ATOM 450 CD LYS A 29 -8.897 -2.023 31.481 1.00 25.25 C ATOM 451 CE LYS A 29 -9.994 -1.069 31.926 1.00 33.02 C ATOM 452 NZ LYS A 29 -10.973 -1.733 32.831 1.00 11.22 N ATOM 0 H LYS A 29 -5.763 -2.406 30.013 1.00 24.13 H new ATOM 0 HA LYS A 29 -7.488 -4.390 30.882 1.00 73.44 H new ATOM 0 HB2 LYS A 29 -7.520 -2.073 29.167 1.00 54.41 H new ATOM 0 HB3 LYS A 29 -8.379 -3.368 28.356 1.00 54.41 H new ATOM 0 HG2 LYS A 29 -9.989 -2.143 29.638 1.00 50.23 H new ATOM 0 HG3 LYS A 29 -9.762 -3.686 30.437 1.00 50.23 H new ATOM 0 HD2 LYS A 29 -8.708 -2.754 32.267 1.00 25.25 H new ATOM 0 HD3 LYS A 29 -7.970 -1.469 31.332 1.00 25.25 H new ATOM 0 HE2 LYS A 29 -9.548 -0.216 32.437 1.00 33.02 H new ATOM 0 HE3 LYS A 29 -10.514 -0.680 31.051 1.00 33.02 H new ATOM 0 HZ1 LYS A 29 -11.705 -1.050 33.112 1.00 11.22 H new ATOM 0 HZ2 LYS A 29 -11.417 -2.532 32.335 1.00 11.22 H new ATOM 0 HZ3 LYS A 29 -10.481 -2.082 33.678 1.00 11.22 H new ATOM 466 N LEU A 30 -6.041 -5.082 28.015 1.00 42.44 N ATOM 467 CA LEU A 30 -5.796 -6.145 27.047 1.00 73.34 C ATOM 468 C LEU A 30 -5.044 -7.305 27.691 1.00 64.14 C ATOM 469 O LEU A 30 -5.485 -8.453 27.635 1.00 65.34 O ATOM 470 CB LEU A 30 -5.002 -5.605 25.856 1.00 72.51 C ATOM 471 CG LEU A 30 -5.171 -4.115 25.557 1.00 62.54 C ATOM 472 CD1 LEU A 30 -4.418 -3.737 24.291 1.00 42.41 C ATOM 473 CD2 LEU A 30 -6.645 -3.761 25.429 1.00 51.34 C ATOM 0 H LEU A 30 -5.478 -4.244 27.872 1.00 42.44 H new ATOM 0 HA LEU A 30 -6.760 -6.512 26.696 1.00 73.34 H new ATOM 0 HB2 LEU A 30 -3.944 -5.802 26.030 1.00 72.51 H new ATOM 0 HB3 LEU A 30 -5.289 -6.168 24.968 1.00 72.51 H new ATOM 0 HG LEU A 30 -4.753 -3.547 26.388 1.00 62.54 H new ATOM 0 HD11 LEU A 30 -4.549 -2.673 24.093 1.00 42.41 H new ATOM 0 HD12 LEU A 30 -3.358 -3.954 24.420 1.00 42.41 H new ATOM 0 HD13 LEU A 30 -4.807 -4.313 23.451 1.00 42.41 H new ATOM 0 HD21 LEU A 30 -6.746 -2.697 25.216 1.00 51.34 H new ATOM 0 HD22 LEU A 30 -7.088 -4.337 24.617 1.00 51.34 H new ATOM 0 HD23 LEU A 30 -7.158 -3.995 26.362 1.00 51.34 H new ATOM 485 N LYS A 31 -3.906 -6.997 28.304 1.00 20.42 N ATOM 486 CA LYS A 31 -3.092 -8.013 28.963 1.00 54.51 C ATOM 487 C LYS A 31 -3.906 -8.766 30.011 1.00 44.13 C ATOM 488 O LYS A 31 -3.621 -9.924 30.317 1.00 3.34 O ATOM 489 CB LYS A 31 -1.868 -7.369 29.618 1.00 54.51 C ATOM 490 CG LYS A 31 -0.989 -6.604 28.644 1.00 62.12 C ATOM 491 CD LYS A 31 -0.371 -7.528 27.607 1.00 14.42 C ATOM 492 CE LYS A 31 0.061 -6.762 26.366 1.00 71.31 C ATOM 493 NZ LYS A 31 -1.104 -6.350 25.535 1.00 61.24 N ATOM 0 H LYS A 31 -3.526 -6.052 28.358 1.00 20.42 H new ATOM 0 HA LYS A 31 -2.760 -8.724 28.207 1.00 54.51 H new ATOM 0 HB2 LYS A 31 -2.201 -6.691 30.403 1.00 54.51 H new ATOM 0 HB3 LYS A 31 -1.273 -8.145 30.099 1.00 54.51 H new ATOM 0 HG2 LYS A 31 -1.581 -5.837 28.143 1.00 62.12 H new ATOM 0 HG3 LYS A 31 -0.199 -6.090 29.192 1.00 62.12 H new ATOM 0 HD2 LYS A 31 0.490 -8.038 28.039 1.00 14.42 H new ATOM 0 HD3 LYS A 31 -1.091 -8.298 27.329 1.00 14.42 H new ATOM 0 HE2 LYS A 31 0.626 -5.878 26.663 1.00 71.31 H new ATOM 0 HE3 LYS A 31 0.730 -7.383 25.771 1.00 71.31 H new ATOM 0 HZ1 LYS A 31 -1.039 -6.799 24.599 1.00 61.24 H new ATOM 0 HZ2 LYS A 31 -1.985 -6.647 26.001 1.00 61.24 H new ATOM 0 HZ3 LYS A 31 -1.103 -5.316 25.424 1.00 61.24 H new ATOM 507 N PHE A 32 -4.920 -8.102 30.556 1.00 63.23 N ATOM 508 CA PHE A 32 -5.775 -8.710 31.569 1.00 44.32 C ATOM 509 C PHE A 32 -6.588 -9.857 30.977 1.00 14.11 C ATOM 510 O PHE A 32 -6.684 -10.933 31.567 1.00 34.31 O ATOM 511 CB PHE A 32 -6.713 -7.661 32.170 1.00 22.24 C ATOM 512 CG PHE A 32 -7.708 -8.233 33.139 1.00 54.12 C ATOM 513 CD1 PHE A 32 -7.284 -8.902 34.275 1.00 25.23 C ATOM 514 CD2 PHE A 32 -9.069 -8.101 32.913 1.00 1.42 C ATOM 515 CE1 PHE A 32 -8.198 -9.430 35.168 1.00 44.24 C ATOM 516 CE2 PHE A 32 -9.988 -8.626 33.802 1.00 2.22 C ATOM 517 CZ PHE A 32 -9.551 -9.290 34.931 1.00 34.44 C ATOM 0 H PHE A 32 -5.170 -7.143 30.313 1.00 63.23 H new ATOM 0 HA PHE A 32 -5.136 -9.110 32.356 1.00 44.32 H new ATOM 0 HB2 PHE A 32 -6.118 -6.902 32.678 1.00 22.24 H new ATOM 0 HB3 PHE A 32 -7.249 -7.160 31.364 1.00 22.24 H new ATOM 0 HD1 PHE A 32 -6.227 -9.013 34.466 1.00 25.23 H new ATOM 0 HD2 PHE A 32 -9.416 -7.582 32.032 1.00 1.42 H new ATOM 0 HE1 PHE A 32 -7.854 -9.951 36.049 1.00 44.24 H new ATOM 0 HE2 PHE A 32 -11.046 -8.517 33.614 1.00 2.22 H new ATOM 0 HZ PHE A 32 -10.267 -9.700 35.628 1.00 34.44 H new ATOM 527 N TYR A 33 -7.173 -9.618 29.808 1.00 23.24 N ATOM 528 CA TYR A 33 -7.981 -10.629 29.137 1.00 20.44 C ATOM 529 C TYR A 33 -7.164 -11.367 28.081 1.00 22.33 C ATOM 530 O TYR A 33 -7.070 -12.595 28.098 1.00 24.30 O ATOM 531 CB TYR A 33 -9.208 -9.985 28.490 1.00 0.23 C ATOM 532 CG TYR A 33 -10.487 -10.202 29.267 1.00 22.32 C ATOM 533 CD1 TYR A 33 -11.286 -11.314 29.030 1.00 10.11 C ATOM 534 CD2 TYR A 33 -10.896 -9.296 30.237 1.00 34.04 C ATOM 535 CE1 TYR A 33 -12.456 -11.517 29.737 1.00 44.41 C ATOM 536 CE2 TYR A 33 -12.064 -9.491 30.950 1.00 65.40 C ATOM 537 CZ TYR A 33 -12.840 -10.603 30.696 1.00 2.10 C ATOM 538 OH TYR A 33 -14.004 -10.800 31.403 1.00 61.33 O ATOM 0 H TYR A 33 -7.102 -8.733 29.306 1.00 23.24 H new ATOM 0 HA TYR A 33 -8.310 -11.350 29.886 1.00 20.44 H new ATOM 0 HB2 TYR A 33 -9.033 -8.914 28.386 1.00 0.23 H new ATOM 0 HB3 TYR A 33 -9.331 -10.387 27.484 1.00 0.23 H new ATOM 0 HD1 TYR A 33 -10.988 -12.032 28.280 1.00 10.11 H new ATOM 0 HD2 TYR A 33 -10.291 -8.424 30.438 1.00 34.04 H new ATOM 0 HE1 TYR A 33 -13.066 -12.386 29.540 1.00 44.41 H new ATOM 0 HE2 TYR A 33 -12.367 -8.777 31.701 1.00 65.40 H new ATOM 0 HH TYR A 33 -14.128 -10.066 32.040 1.00 61.33 H new ATOM 548 N LEU A 34 -6.574 -10.610 27.163 1.00 2.45 N ATOM 549 CA LEU A 34 -5.763 -11.190 26.098 1.00 1.45 C ATOM 550 C LEU A 34 -4.703 -12.125 26.670 1.00 65.52 C ATOM 551 O LEU A 34 -4.664 -13.311 26.340 1.00 51.00 O ATOM 552 CB LEU A 34 -5.095 -10.084 25.279 1.00 54.20 C ATOM 553 CG LEU A 34 -5.975 -9.402 24.230 1.00 2.55 C ATOM 554 CD1 LEU A 34 -6.337 -10.377 23.121 1.00 1.21 C ATOM 555 CD2 LEU A 34 -7.231 -8.834 24.875 1.00 21.24 C ATOM 0 H LEU A 34 -6.642 -9.593 27.134 1.00 2.45 H new ATOM 0 HA LEU A 34 -6.420 -11.769 25.448 1.00 1.45 H new ATOM 0 HB2 LEU A 34 -4.727 -9.322 25.966 1.00 54.20 H new ATOM 0 HB3 LEU A 34 -4.225 -10.507 24.776 1.00 54.20 H new ATOM 0 HG LEU A 34 -5.412 -8.578 23.791 1.00 2.55 H new ATOM 0 HD11 LEU A 34 -6.963 -9.874 22.384 1.00 1.21 H new ATOM 0 HD12 LEU A 34 -5.427 -10.735 22.640 1.00 1.21 H new ATOM 0 HD13 LEU A 34 -6.881 -11.222 23.543 1.00 1.21 H new ATOM 0 HD21 LEU A 34 -7.845 -8.353 24.114 1.00 21.24 H new ATOM 0 HD22 LEU A 34 -7.797 -9.640 25.341 1.00 21.24 H new ATOM 0 HD23 LEU A 34 -6.952 -8.102 25.632 1.00 21.24 H new ATOM 567 N ARG A 35 -3.845 -11.585 27.529 1.00 21.13 N ATOM 568 CA ARG A 35 -2.785 -12.372 28.147 1.00 23.14 C ATOM 569 C ARG A 35 -3.368 -13.496 28.999 1.00 2.34 C ATOM 570 O ARG A 35 -2.799 -14.584 29.083 1.00 24.11 O ATOM 571 CB ARG A 35 -1.891 -11.477 29.008 1.00 50.45 C ATOM 572 CG ARG A 35 -0.434 -11.474 28.575 1.00 70.35 C ATOM 573 CD ARG A 35 0.502 -11.586 29.768 1.00 71.42 C ATOM 574 NE ARG A 35 0.605 -10.328 30.502 1.00 22.55 N ATOM 575 CZ ARG A 35 1.635 -10.014 31.280 1.00 43.00 C ATOM 576 NH1 ARG A 35 2.645 -10.861 31.423 1.00 62.01 N ATOM 577 NH2 ARG A 35 1.657 -8.850 31.916 1.00 12.31 N ATOM 0 H ARG A 35 -3.863 -10.605 27.813 1.00 21.13 H new ATOM 0 HA ARG A 35 -2.186 -12.815 27.352 1.00 23.14 H new ATOM 0 HB2 ARG A 35 -2.273 -10.457 28.975 1.00 50.45 H new ATOM 0 HB3 ARG A 35 -1.952 -11.807 30.045 1.00 50.45 H new ATOM 0 HG2 ARG A 35 -0.255 -12.304 27.891 1.00 70.35 H new ATOM 0 HG3 ARG A 35 -0.218 -10.557 28.027 1.00 70.35 H new ATOM 0 HD2 ARG A 35 0.144 -12.368 30.437 1.00 71.42 H new ATOM 0 HD3 ARG A 35 1.492 -11.888 29.425 1.00 71.42 H new ATOM 0 HE ARG A 35 -0.155 -9.654 30.413 1.00 22.55 H new ATOM 0 HH11 ARG A 35 2.633 -11.757 30.935 1.00 62.01 H new ATOM 0 HH12 ARG A 35 3.434 -10.617 32.021 1.00 62.01 H new ATOM 0 HH21 ARG A 35 0.883 -8.195 31.808 1.00 12.31 H new ATOM 0 HH22 ARG A 35 2.448 -8.610 32.513 1.00 12.31 H new ATOM 591 N ASP A 36 -4.505 -13.224 29.630 1.00 40.31 N ATOM 592 CA ASP A 36 -5.166 -14.211 30.475 1.00 23.42 C ATOM 593 C ASP A 36 -5.341 -15.532 29.732 1.00 35.01 C ATOM 594 O ASP A 36 -4.953 -16.590 30.227 1.00 40.15 O ATOM 595 CB ASP A 36 -6.526 -13.688 30.940 1.00 61.34 C ATOM 596 CG ASP A 36 -6.583 -13.474 32.439 1.00 25.44 C ATOM 597 OD1 ASP A 36 -5.538 -13.126 33.029 1.00 11.23 O ATOM 598 OD2 ASP A 36 -7.671 -13.655 33.023 1.00 14.33 O ATOM 0 H ASP A 36 -4.988 -12.328 29.572 1.00 40.31 H new ATOM 0 HA ASP A 36 -4.536 -14.386 31.347 1.00 23.42 H new ATOM 0 HB2 ASP A 36 -6.743 -12.748 30.433 1.00 61.34 H new ATOM 0 HB3 ASP A 36 -7.303 -14.394 30.647 1.00 61.34 H new ATOM 603 N MET A 37 -5.930 -15.462 28.543 1.00 72.13 N ATOM 604 CA MET A 37 -6.157 -16.653 27.732 1.00 52.33 C ATOM 605 C MET A 37 -4.951 -16.945 26.846 1.00 65.14 C ATOM 606 O MET A 37 -4.279 -17.965 27.009 1.00 53.41 O ATOM 607 CB MET A 37 -7.408 -16.477 26.868 1.00 1.13 C ATOM 608 CG MET A 37 -8.422 -17.597 27.033 1.00 71.14 C ATOM 609 SD MET A 37 -10.124 -17.002 27.012 1.00 50.14 S ATOM 610 CE MET A 37 -10.618 -17.448 25.349 1.00 73.11 C ATOM 0 H MET A 37 -6.259 -14.594 28.120 1.00 72.13 H new ATOM 0 HA MET A 37 -6.305 -17.498 28.405 1.00 52.33 H new ATOM 0 HB2 MET A 37 -7.883 -15.528 27.119 1.00 1.13 H new ATOM 0 HB3 MET A 37 -7.111 -16.418 25.821 1.00 1.13 H new ATOM 0 HG2 MET A 37 -8.286 -18.326 26.234 1.00 71.14 H new ATOM 0 HG3 MET A 37 -8.234 -18.116 27.973 1.00 71.14 H new ATOM 0 HE1 MET A 37 -11.651 -17.144 25.183 1.00 73.11 H new ATOM 0 HE2 MET A 37 -9.972 -16.945 24.630 1.00 73.11 H new ATOM 0 HE3 MET A 37 -10.532 -18.527 25.221 1.00 73.11 H new ATOM 620 N THR A 38 -4.679 -16.044 25.906 1.00 34.31 N ATOM 621 CA THR A 38 -3.555 -16.207 24.993 1.00 2.44 C ATOM 622 C THR A 38 -2.294 -16.623 25.743 1.00 74.23 C ATOM 623 O THR A 38 -1.619 -17.579 25.359 1.00 31.41 O ATOM 624 CB THR A 38 -3.270 -14.908 24.216 1.00 54.41 C ATOM 625 OG1 THR A 38 -2.739 -13.914 25.100 1.00 54.13 O ATOM 626 CG2 THR A 38 -4.537 -14.383 23.557 1.00 11.11 C ATOM 0 H THR A 38 -5.223 -15.194 25.758 1.00 34.31 H new ATOM 0 HA THR A 38 -3.831 -16.991 24.288 1.00 2.44 H new ATOM 0 HB THR A 38 -2.539 -15.129 23.438 1.00 54.41 H new ATOM 0 HG1 THR A 38 -3.293 -13.864 25.906 1.00 54.13 H new ATOM 0 HG21 THR A 38 -4.311 -13.465 23.014 1.00 11.11 H new ATOM 0 HG22 THR A 38 -4.922 -15.130 22.863 1.00 11.11 H new ATOM 0 HG23 THR A 38 -5.286 -14.177 24.321 1.00 11.11 H new ATOM 634 N LEU A 39 -1.982 -15.901 26.813 1.00 33.22 N ATOM 635 CA LEU A 39 -0.802 -16.197 27.618 1.00 40.21 C ATOM 636 C LEU A 39 -1.190 -16.892 28.919 1.00 10.52 C ATOM 637 O LEU A 39 -2.370 -17.124 29.182 1.00 22.14 O ATOM 638 CB LEU A 39 -0.033 -14.910 27.923 1.00 12.01 C ATOM 639 CG LEU A 39 1.085 -14.548 26.945 1.00 22.32 C ATOM 640 CD1 LEU A 39 0.545 -13.695 25.808 1.00 0.34 C ATOM 641 CD2 LEU A 39 2.213 -13.826 27.668 1.00 53.31 C ATOM 0 H LEU A 39 -2.529 -15.106 27.144 1.00 33.22 H new ATOM 0 HA LEU A 39 -0.162 -16.869 27.046 1.00 40.21 H new ATOM 0 HB2 LEU A 39 -0.744 -14.084 27.953 1.00 12.01 H new ATOM 0 HB3 LEU A 39 0.398 -14.996 28.921 1.00 12.01 H new ATOM 0 HG LEU A 39 1.484 -15.470 26.521 1.00 22.32 H new ATOM 0 HD11 LEU A 39 1.355 -13.447 25.122 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -0.227 -14.248 25.273 1.00 0.34 H new ATOM 0 HD13 LEU A 39 0.119 -12.777 26.213 1.00 0.34 H new ATOM 0 HD21 LEU A 39 3.000 -13.576 26.956 1.00 53.31 H new ATOM 0 HD22 LEU A 39 1.829 -12.912 28.120 1.00 53.31 H new ATOM 0 HD23 LEU A 39 2.619 -14.473 28.446 1.00 53.31 H new ATOM 784 N GLY A 49 0.371 1.776 37.304 1.00 71.20 N ATOM 785 CA GLY A 49 1.770 2.162 37.334 1.00 34.23 C ATOM 786 C GLY A 49 2.655 1.192 36.578 1.00 23.40 C ATOM 787 O GLY A 49 3.865 1.393 36.481 1.00 42.12 O ATOM 0 HA2 GLY A 49 1.878 3.158 36.905 1.00 34.23 H new ATOM 0 HA3 GLY A 49 2.105 2.223 38.370 1.00 34.23 H new ATOM 791 N GLU A 50 2.051 0.135 36.043 1.00 43.13 N ATOM 792 CA GLU A 50 2.795 -0.871 35.294 1.00 40.02 C ATOM 793 C GLU A 50 3.315 -0.296 33.979 1.00 23.43 C ATOM 794 O GLU A 50 4.407 -0.642 33.526 1.00 24.04 O ATOM 795 CB GLU A 50 1.911 -2.089 35.016 1.00 4.14 C ATOM 796 CG GLU A 50 2.665 -3.408 35.052 1.00 35.12 C ATOM 797 CD GLU A 50 1.879 -4.546 34.430 1.00 55.34 C ATOM 798 OE1 GLU A 50 0.642 -4.419 34.314 1.00 72.35 O ATOM 799 OE2 GLU A 50 2.501 -5.563 34.058 1.00 3.43 O ATOM 0 H GLU A 50 1.050 -0.046 36.114 1.00 43.13 H new ATOM 0 HA GLU A 50 3.648 -1.180 35.898 1.00 40.02 H new ATOM 0 HB2 GLU A 50 1.107 -2.119 35.751 1.00 4.14 H new ATOM 0 HB3 GLU A 50 1.444 -1.973 34.038 1.00 4.14 H new ATOM 0 HG2 GLU A 50 3.612 -3.295 34.525 1.00 35.12 H new ATOM 0 HG3 GLU A 50 2.903 -3.658 36.086 1.00 35.12 H new ATOM 806 N LEU A 51 2.526 0.582 33.371 1.00 11.11 N ATOM 807 CA LEU A 51 2.905 1.205 32.108 1.00 42.32 C ATOM 808 C LEU A 51 3.396 2.632 32.330 1.00 3.14 C ATOM 809 O LEU A 51 4.439 3.027 31.810 1.00 1.45 O ATOM 810 CB LEU A 51 1.720 1.207 31.141 1.00 32.20 C ATOM 811 CG LEU A 51 1.978 1.818 29.764 1.00 51.45 C ATOM 812 CD1 LEU A 51 1.058 1.198 28.723 1.00 1.23 C ATOM 813 CD2 LEU A 51 1.795 3.328 29.808 1.00 54.44 C ATOM 0 H LEU A 51 1.619 0.879 33.732 1.00 11.11 H new ATOM 0 HA LEU A 51 3.719 0.623 31.675 1.00 42.32 H new ATOM 0 HB2 LEU A 51 1.388 0.178 31.003 1.00 32.20 H new ATOM 0 HB3 LEU A 51 0.897 1.748 31.608 1.00 32.20 H new ATOM 0 HG LEU A 51 3.009 1.605 29.481 1.00 51.45 H new ATOM 0 HD11 LEU A 51 1.256 1.646 27.749 1.00 1.23 H new ATOM 0 HD12 LEU A 51 1.238 0.124 28.672 1.00 1.23 H new ATOM 0 HD13 LEU A 51 0.020 1.379 29.001 1.00 1.23 H new ATOM 0 HD21 LEU A 51 1.983 3.746 28.819 1.00 54.44 H new ATOM 0 HD22 LEU A 51 0.775 3.562 30.113 1.00 54.44 H new ATOM 0 HD23 LEU A 51 2.496 3.759 30.523 1.00 54.44 H new ATOM 825 N GLU A 52 2.638 3.399 33.108 1.00 23.01 N ATOM 826 CA GLU A 52 2.998 4.782 33.400 1.00 22.52 C ATOM 827 C GLU A 52 4.182 4.844 34.361 1.00 0.20 C ATOM 828 O GLU A 52 5.197 5.477 34.072 1.00 30.34 O ATOM 829 CB GLU A 52 1.803 5.528 33.997 1.00 60.22 C ATOM 830 CG GLU A 52 2.133 6.939 34.453 1.00 12.11 C ATOM 831 CD GLU A 52 2.515 7.850 33.303 1.00 54.04 C ATOM 832 OE1 GLU A 52 2.145 7.537 32.151 1.00 11.33 O ATOM 833 OE2 GLU A 52 3.183 8.875 33.553 1.00 72.31 O ATOM 0 H GLU A 52 1.772 3.087 33.547 1.00 23.01 H new ATOM 0 HA GLU A 52 3.286 5.261 32.464 1.00 22.52 H new ATOM 0 HB2 GLU A 52 1.005 5.572 33.255 1.00 60.22 H new ATOM 0 HB3 GLU A 52 1.419 4.962 34.845 1.00 60.22 H new ATOM 0 HG2 GLU A 52 1.272 7.359 34.974 1.00 12.11 H new ATOM 0 HG3 GLU A 52 2.953 6.902 35.170 1.00 12.11 H new ATOM 840 N GLY A 53 4.043 4.183 35.506 1.00 0.03 N ATOM 841 CA GLY A 53 5.107 4.176 36.493 1.00 42.41 C ATOM 842 C GLY A 53 6.383 3.552 35.965 1.00 24.30 C ATOM 843 O GLY A 53 7.437 4.190 35.953 1.00 21.51 O ATOM 0 H GLY A 53 3.212 3.652 35.768 1.00 0.03 H new ATOM 0 HA2 GLY A 53 5.311 5.199 36.810 1.00 42.41 H new ATOM 0 HA3 GLY A 53 4.776 3.628 37.375 1.00 42.41 H new ATOM 847 N LEU A 54 6.291 2.300 35.529 1.00 40.44 N ATOM 848 CA LEU A 54 7.448 1.588 34.998 1.00 21.32 C ATOM 849 C LEU A 54 7.734 2.007 33.560 1.00 52.42 C ATOM 850 O LEU A 54 7.192 3.000 33.073 1.00 12.34 O ATOM 851 CB LEU A 54 7.216 0.077 35.064 1.00 13.22 C ATOM 852 CG LEU A 54 6.660 -0.459 36.384 1.00 71.32 C ATOM 853 CD1 LEU A 54 6.433 -1.960 36.296 1.00 32.53 C ATOM 854 CD2 LEU A 54 7.600 -0.126 37.533 1.00 20.42 C ATOM 0 H LEU A 54 5.427 1.757 35.533 1.00 40.44 H new ATOM 0 HA LEU A 54 8.313 1.844 35.610 1.00 21.32 H new ATOM 0 HB2 LEU A 54 6.529 -0.200 34.264 1.00 13.22 H new ATOM 0 HB3 LEU A 54 8.162 -0.425 34.861 1.00 13.22 H new ATOM 0 HG LEU A 54 5.701 0.022 36.575 1.00 71.32 H new ATOM 0 HD11 LEU A 54 6.037 -2.324 37.244 1.00 32.53 H new ATOM 0 HD12 LEU A 54 5.721 -2.174 35.499 1.00 32.53 H new ATOM 0 HD13 LEU A 54 7.378 -2.459 36.082 1.00 32.53 H new ATOM 0 HD21 LEU A 54 7.188 -0.515 38.464 1.00 20.42 H new ATOM 0 HD22 LEU A 54 8.574 -0.580 37.349 1.00 20.42 H new ATOM 0 HD23 LEU A 54 7.712 0.956 37.610 1.00 20.42 H new ATOM 866 N ILE A 55 8.586 1.244 32.884 1.00 30.24 N ATOM 867 CA ILE A 55 8.940 1.535 31.501 1.00 65.12 C ATOM 868 C ILE A 55 8.597 0.363 30.587 1.00 10.32 C ATOM 869 O ILE A 55 8.435 -0.774 31.029 1.00 21.34 O ATOM 870 CB ILE A 55 10.439 1.859 31.360 1.00 65.10 C ATOM 871 CG1 ILE A 55 11.284 0.773 32.030 1.00 35.23 C ATOM 872 CG2 ILE A 55 10.746 3.222 31.962 1.00 54.21 C ATOM 873 CD1 ILE A 55 12.752 1.124 32.129 1.00 34.35 C ATOM 0 H ILE A 55 9.044 0.419 33.272 1.00 30.24 H new ATOM 0 HA ILE A 55 8.358 2.407 31.203 1.00 65.12 H new ATOM 0 HB ILE A 55 10.690 1.887 30.300 1.00 65.10 H new ATOM 0 HG12 ILE A 55 10.895 0.587 33.031 1.00 35.23 H new ATOM 0 HG13 ILE A 55 11.178 -0.156 31.470 1.00 35.23 H new ATOM 0 HG21 ILE A 55 11.809 3.436 31.854 1.00 54.21 H new ATOM 0 HG22 ILE A 55 10.168 3.987 31.444 1.00 54.21 H new ATOM 0 HG23 ILE A 55 10.481 3.221 33.019 1.00 54.21 H new ATOM 0 HD11 ILE A 55 13.289 0.309 32.614 1.00 34.35 H new ATOM 0 HD12 ILE A 55 13.157 1.281 31.129 1.00 34.35 H new ATOM 0 HD13 ILE A 55 12.869 2.036 32.715 1.00 34.35 H new ATOM 885 N PRO A 56 8.484 0.645 29.281 1.00 44.03 N ATOM 886 CA PRO A 56 8.162 -0.373 28.276 1.00 14.24 C ATOM 887 C PRO A 56 9.303 -1.361 28.065 1.00 63.20 C ATOM 888 O PRO A 56 9.081 -2.566 27.945 1.00 74.10 O ATOM 889 CB PRO A 56 7.921 0.446 27.006 1.00 43.32 C ATOM 890 CG PRO A 56 8.706 1.696 27.207 1.00 42.41 C ATOM 891 CD PRO A 56 8.664 1.979 28.683 1.00 21.12 C ATOM 0 HA PRO A 56 7.310 -0.984 28.573 1.00 14.24 H new ATOM 0 HB2 PRO A 56 8.254 -0.092 26.119 1.00 43.32 H new ATOM 0 HB3 PRO A 56 6.861 0.662 26.869 1.00 43.32 H new ATOM 0 HG2 PRO A 56 9.733 1.572 26.863 1.00 42.41 H new ATOM 0 HG3 PRO A 56 8.277 2.522 26.639 1.00 42.41 H new ATOM 0 HD2 PRO A 56 9.583 2.453 29.028 1.00 21.12 H new ATOM 0 HD3 PRO A 56 7.844 2.649 28.941 1.00 21.12 H new ATOM 899 N VAL A 57 10.527 -0.844 28.021 1.00 61.22 N ATOM 900 CA VAL A 57 11.704 -1.682 27.825 1.00 4.25 C ATOM 901 C VAL A 57 11.860 -2.685 28.963 1.00 1.31 C ATOM 902 O VAL A 57 12.537 -3.703 28.818 1.00 12.14 O ATOM 903 CB VAL A 57 12.986 -0.834 27.724 1.00 1.33 C ATOM 904 CG1 VAL A 57 14.200 -1.724 27.507 1.00 20.23 C ATOM 905 CG2 VAL A 57 12.860 0.191 26.607 1.00 33.10 C ATOM 0 H VAL A 57 10.729 0.151 28.118 1.00 61.22 H new ATOM 0 HA VAL A 57 11.558 -2.219 26.888 1.00 4.25 H new ATOM 0 HB VAL A 57 13.121 -0.299 28.664 1.00 1.33 H new ATOM 0 HG11 VAL A 57 15.096 -1.107 27.438 1.00 20.23 H new ATOM 0 HG12 VAL A 57 14.299 -2.415 28.344 1.00 20.23 H new ATOM 0 HG13 VAL A 57 14.077 -2.289 26.583 1.00 20.23 H new ATOM 0 HG21 VAL A 57 13.775 0.781 26.550 1.00 33.10 H new ATOM 0 HG22 VAL A 57 12.699 -0.322 25.659 1.00 33.10 H new ATOM 0 HG23 VAL A 57 12.015 0.849 26.811 1.00 33.10 H new ATOM 915 N ASP A 58 11.229 -2.390 30.094 1.00 22.14 N ATOM 916 CA ASP A 58 11.296 -3.267 31.258 1.00 51.03 C ATOM 917 C ASP A 58 10.161 -4.286 31.236 1.00 12.11 C ATOM 918 O ASP A 58 10.397 -5.495 31.239 1.00 42.21 O ATOM 919 CB ASP A 58 11.236 -2.445 32.546 1.00 32.34 C ATOM 920 CG ASP A 58 11.487 -3.287 33.782 1.00 75.20 C ATOM 921 OD1 ASP A 58 12.323 -4.212 33.711 1.00 72.25 O ATOM 922 OD2 ASP A 58 10.847 -3.021 34.821 1.00 40.33 O ATOM 0 H ASP A 58 10.665 -1.551 30.230 1.00 22.14 H new ATOM 0 HA ASP A 58 12.243 -3.805 31.224 1.00 51.03 H new ATOM 0 HB2 ASP A 58 11.975 -1.645 32.498 1.00 32.34 H new ATOM 0 HB3 ASP A 58 10.258 -1.970 32.626 1.00 32.34 H new ATOM 927 N LEU A 59 8.928 -3.790 31.216 1.00 64.55 N ATOM 928 CA LEU A 59 7.755 -4.658 31.194 1.00 5.45 C ATOM 929 C LEU A 59 7.756 -5.544 29.953 1.00 20.44 C ATOM 930 O LEU A 59 7.277 -6.677 29.988 1.00 70.41 O ATOM 931 CB LEU A 59 6.476 -3.820 31.236 1.00 45.52 C ATOM 932 CG LEU A 59 5.563 -3.928 30.014 1.00 2.12 C ATOM 933 CD1 LEU A 59 4.168 -3.420 30.344 1.00 61.31 C ATOM 934 CD2 LEU A 59 6.149 -3.158 28.840 1.00 4.51 C ATOM 0 H LEU A 59 8.715 -2.793 31.215 1.00 64.55 H new ATOM 0 HA LEU A 59 7.791 -5.299 32.075 1.00 5.45 H new ATOM 0 HB2 LEU A 59 5.905 -4.109 32.118 1.00 45.52 H new ATOM 0 HB3 LEU A 59 6.755 -2.774 31.365 1.00 45.52 H new ATOM 0 HG LEU A 59 5.488 -4.978 29.732 1.00 2.12 H new ATOM 0 HD11 LEU A 59 3.532 -3.504 29.463 1.00 61.31 H new ATOM 0 HD12 LEU A 59 3.746 -4.015 31.154 1.00 61.31 H new ATOM 0 HD13 LEU A 59 4.224 -2.376 30.652 1.00 61.31 H new ATOM 0 HD21 LEU A 59 5.486 -3.246 27.980 1.00 4.51 H new ATOM 0 HD22 LEU A 59 6.255 -2.107 29.110 1.00 4.51 H new ATOM 0 HD23 LEU A 59 7.127 -3.568 28.588 1.00 4.51 H new ATOM 946 N ALA A 60 8.299 -5.021 28.859 1.00 60.30 N ATOM 947 CA ALA A 60 8.366 -5.767 27.608 1.00 1.13 C ATOM 948 C ALA A 60 9.228 -7.016 27.759 1.00 0.22 C ATOM 949 O ALA A 60 8.814 -8.114 27.390 1.00 64.22 O ATOM 950 CB ALA A 60 8.906 -4.882 26.495 1.00 40.04 C ATOM 0 H ALA A 60 8.699 -4.084 28.813 1.00 60.30 H new ATOM 0 HA ALA A 60 7.356 -6.084 27.348 1.00 1.13 H new ATOM 0 HB1 ALA A 60 8.951 -5.451 25.567 1.00 40.04 H new ATOM 0 HB2 ALA A 60 8.249 -4.023 26.362 1.00 40.04 H new ATOM 0 HB3 ALA A 60 9.906 -4.537 26.757 1.00 40.04 H new ATOM 956 N GLU A 61 10.428 -6.839 28.304 1.00 51.04 N ATOM 957 CA GLU A 61 11.348 -7.953 28.501 1.00 0.21 C ATOM 958 C GLU A 61 10.696 -9.057 29.328 1.00 31.11 C ATOM 959 O GLU A 61 10.995 -10.239 29.153 1.00 45.01 O ATOM 960 CB GLU A 61 12.626 -7.471 29.191 1.00 62.32 C ATOM 961 CG GLU A 61 12.496 -7.352 30.700 1.00 72.51 C ATOM 962 CD GLU A 61 13.148 -8.508 31.435 1.00 51.44 C ATOM 963 OE1 GLU A 61 14.376 -8.682 31.296 1.00 65.04 O ATOM 964 OE2 GLU A 61 12.429 -9.237 32.149 1.00 32.11 O ATOM 0 H GLU A 61 10.785 -5.936 28.616 1.00 51.04 H new ATOM 0 HA GLU A 61 11.603 -8.359 27.522 1.00 0.21 H new ATOM 0 HB2 GLU A 61 13.437 -8.161 28.958 1.00 62.32 H new ATOM 0 HB3 GLU A 61 12.906 -6.500 28.781 1.00 62.32 H new ATOM 0 HG2 GLU A 61 12.949 -6.416 31.027 1.00 72.51 H new ATOM 0 HG3 GLU A 61 11.440 -7.305 30.967 1.00 72.51 H new ATOM 971 N LEU A 62 9.803 -8.664 30.230 1.00 4.31 N ATOM 972 CA LEU A 62 9.108 -9.619 31.086 1.00 62.13 C ATOM 973 C LEU A 62 8.030 -10.365 30.306 1.00 64.05 C ATOM 974 O LEU A 62 7.920 -11.589 30.393 1.00 0.32 O ATOM 975 CB LEU A 62 8.483 -8.901 32.282 1.00 14.35 C ATOM 976 CG LEU A 62 7.462 -9.704 33.089 1.00 30.32 C ATOM 977 CD1 LEU A 62 7.543 -9.342 34.564 1.00 72.10 C ATOM 978 CD2 LEU A 62 6.056 -9.468 32.556 1.00 22.44 C ATOM 0 H LEU A 62 9.543 -7.690 30.387 1.00 4.31 H new ATOM 0 HA LEU A 62 9.838 -10.344 31.446 1.00 62.13 H new ATOM 0 HB2 LEU A 62 9.284 -8.591 32.953 1.00 14.35 H new ATOM 0 HB3 LEU A 62 7.999 -7.993 31.923 1.00 14.35 H new ATOM 0 HG LEU A 62 7.696 -10.763 32.983 1.00 30.32 H new ATOM 0 HD11 LEU A 62 6.809 -9.923 35.122 1.00 72.10 H new ATOM 0 HD12 LEU A 62 8.542 -9.563 34.939 1.00 72.10 H new ATOM 0 HD13 LEU A 62 7.336 -8.279 34.690 1.00 72.10 H new ATOM 0 HD21 LEU A 62 5.343 -10.047 33.142 1.00 22.44 H new ATOM 0 HD22 LEU A 62 5.812 -8.408 32.631 1.00 22.44 H new ATOM 0 HD23 LEU A 62 6.005 -9.779 31.513 1.00 22.44 H new ATOM 990 N LEU A 63 7.239 -9.621 29.541 1.00 11.22 N ATOM 991 CA LEU A 63 6.170 -10.212 28.743 1.00 45.44 C ATOM 992 C LEU A 63 6.736 -11.178 27.707 1.00 74.31 C ATOM 993 O LEU A 63 6.296 -12.324 27.609 1.00 61.44 O ATOM 994 CB LEU A 63 5.362 -9.116 28.046 1.00 12.33 C ATOM 995 CG LEU A 63 3.893 -9.439 27.769 1.00 2.30 C ATOM 996 CD1 LEU A 63 2.984 -8.482 28.525 1.00 43.11 C ATOM 997 CD2 LEU A 63 3.607 -9.381 26.276 1.00 62.25 C ATOM 0 H LEU A 63 7.317 -8.608 29.456 1.00 11.22 H new ATOM 0 HA LEU A 63 5.514 -10.768 29.413 1.00 45.44 H new ATOM 0 HB2 LEU A 63 5.406 -8.215 28.658 1.00 12.33 H new ATOM 0 HB3 LEU A 63 5.847 -8.882 27.098 1.00 12.33 H new ATOM 0 HG LEU A 63 3.691 -10.452 28.119 1.00 2.30 H new ATOM 0 HD11 LEU A 63 1.943 -8.727 28.316 1.00 43.11 H new ATOM 0 HD12 LEU A 63 3.170 -8.573 29.595 1.00 43.11 H new ATOM 0 HD13 LEU A 63 3.187 -7.459 28.207 1.00 43.11 H new ATOM 0 HD21 LEU A 63 2.557 -9.613 26.097 1.00 62.25 H new ATOM 0 HD22 LEU A 63 3.826 -8.381 25.902 1.00 62.25 H new ATOM 0 HD23 LEU A 63 4.233 -10.107 25.757 1.00 62.25 H new ATOM 1009 N ILE A 64 7.713 -10.709 26.939 1.00 71.24 N ATOM 1010 CA ILE A 64 8.340 -11.533 25.913 1.00 22.51 C ATOM 1011 C ILE A 64 8.922 -12.809 26.513 1.00 42.12 C ATOM 1012 O ILE A 64 8.926 -13.861 25.875 1.00 65.54 O ATOM 1013 CB ILE A 64 9.458 -10.767 25.181 1.00 73.42 C ATOM 1014 CG1 ILE A 64 10.517 -10.291 26.177 1.00 13.11 C ATOM 1015 CG2 ILE A 64 8.877 -9.589 24.413 1.00 70.51 C ATOM 1016 CD1 ILE A 64 11.672 -11.254 26.338 1.00 50.02 C ATOM 0 H ILE A 64 8.088 -9.763 27.008 1.00 71.24 H new ATOM 0 HA ILE A 64 7.560 -11.793 25.197 1.00 22.51 H new ATOM 0 HB ILE A 64 9.934 -11.441 24.469 1.00 73.42 H new ATOM 0 HG12 ILE A 64 10.903 -9.325 25.851 1.00 13.11 H new ATOM 0 HG13 ILE A 64 10.047 -10.135 27.148 1.00 13.11 H new ATOM 0 HG21 ILE A 64 9.679 -9.057 23.901 1.00 70.51 H new ATOM 0 HG22 ILE A 64 8.157 -9.952 23.680 1.00 70.51 H new ATOM 0 HG23 ILE A 64 8.379 -8.912 25.107 1.00 70.51 H new ATOM 0 HD11 ILE A 64 12.384 -10.851 27.059 1.00 50.02 H new ATOM 0 HD12 ILE A 64 11.298 -12.214 26.694 1.00 50.02 H new ATOM 0 HD13 ILE A 64 12.168 -11.392 25.377 1.00 50.02 H new ATOM 1028 N SER A 65 9.412 -12.707 27.745 1.00 75.45 N ATOM 1029 CA SER A 65 9.998 -13.853 28.431 1.00 42.43 C ATOM 1030 C SER A 65 8.912 -14.760 28.999 1.00 34.41 C ATOM 1031 O SER A 65 9.125 -15.957 29.193 1.00 34.43 O ATOM 1032 CB SER A 65 10.924 -13.381 29.554 1.00 60.51 C ATOM 1033 OG SER A 65 11.744 -14.441 30.017 1.00 52.50 O ATOM 0 H SER A 65 9.415 -11.843 28.288 1.00 75.45 H new ATOM 0 HA SER A 65 10.579 -14.423 27.705 1.00 42.43 H new ATOM 0 HB2 SER A 65 11.549 -12.563 29.195 1.00 60.51 H new ATOM 0 HB3 SER A 65 10.330 -12.989 30.379 1.00 60.51 H new ATOM 0 HG SER A 65 12.328 -14.114 30.733 1.00 52.50 H new ATOM 1039 N LYS A 66 7.745 -14.182 29.264 1.00 2.00 N ATOM 1040 CA LYS A 66 6.623 -14.936 29.809 1.00 32.40 C ATOM 1041 C LYS A 66 6.371 -16.201 28.995 1.00 70.52 C ATOM 1042 O LYS A 66 6.516 -17.315 29.499 1.00 32.25 O ATOM 1043 CB LYS A 66 5.361 -14.070 29.829 1.00 61.51 C ATOM 1044 CG LYS A 66 4.098 -14.844 30.165 1.00 12.21 C ATOM 1045 CD LYS A 66 4.140 -15.391 31.582 1.00 73.31 C ATOM 1046 CE LYS A 66 3.600 -14.383 32.585 1.00 23.32 C ATOM 1047 NZ LYS A 66 4.689 -13.568 33.192 1.00 33.22 N ATOM 0 H LYS A 66 7.552 -13.192 29.110 1.00 2.00 H new ATOM 0 HA LYS A 66 6.874 -15.225 30.829 1.00 32.40 H new ATOM 0 HB2 LYS A 66 5.491 -13.270 30.557 1.00 61.51 H new ATOM 0 HB3 LYS A 66 5.239 -13.597 28.854 1.00 61.51 H new ATOM 0 HG2 LYS A 66 3.231 -14.194 30.050 1.00 12.21 H new ATOM 0 HG3 LYS A 66 3.976 -15.666 29.460 1.00 12.21 H new ATOM 0 HD2 LYS A 66 3.555 -16.309 31.636 1.00 73.31 H new ATOM 0 HD3 LYS A 66 5.166 -15.651 31.842 1.00 73.31 H new ATOM 0 HE2 LYS A 66 2.886 -13.725 32.090 1.00 23.32 H new ATOM 0 HE3 LYS A 66 3.057 -14.908 33.371 1.00 23.32 H new ATOM 0 HZ1 LYS A 66 4.807 -13.834 34.190 1.00 33.22 H new ATOM 0 HZ2 LYS A 66 5.578 -13.741 32.681 1.00 33.22 H new ATOM 0 HZ3 LYS A 66 4.444 -12.559 33.129 1.00 33.22 H new ATOM 1061 N TYR A 67 5.995 -16.023 27.733 1.00 0.55 N ATOM 1062 CA TYR A 67 5.722 -17.150 26.850 1.00 44.11 C ATOM 1063 C TYR A 67 6.523 -17.034 25.556 1.00 32.12 C ATOM 1064 O TYR A 67 7.029 -18.027 25.035 1.00 41.20 O ATOM 1065 CB TYR A 67 4.228 -17.227 26.533 1.00 50.21 C ATOM 1066 CG TYR A 67 3.796 -18.563 25.972 1.00 11.22 C ATOM 1067 CD1 TYR A 67 4.239 -19.752 26.537 1.00 24.02 C ATOM 1068 CD2 TYR A 67 2.943 -18.636 24.878 1.00 51.43 C ATOM 1069 CE1 TYR A 67 3.848 -20.975 26.027 1.00 13.35 C ATOM 1070 CE2 TYR A 67 2.545 -19.854 24.362 1.00 32.02 C ATOM 1071 CZ TYR A 67 3.000 -21.021 24.940 1.00 2.42 C ATOM 1072 OH TYR A 67 2.607 -22.237 24.430 1.00 14.45 O ATOM 0 H TYR A 67 5.872 -15.108 27.299 1.00 0.55 H new ATOM 0 HA TYR A 67 6.025 -18.063 27.363 1.00 44.11 H new ATOM 0 HB2 TYR A 67 3.661 -17.024 27.442 1.00 50.21 H new ATOM 0 HB3 TYR A 67 3.976 -16.444 25.818 1.00 50.21 H new ATOM 0 HD1 TYR A 67 4.901 -19.720 27.390 1.00 24.02 H new ATOM 0 HD2 TYR A 67 2.585 -17.724 24.423 1.00 51.43 H new ATOM 0 HE1 TYR A 67 4.204 -21.890 26.477 1.00 13.35 H new ATOM 0 HE2 TYR A 67 1.881 -19.892 23.511 1.00 32.02 H new ATOM 0 HH TYR A 67 2.009 -22.094 23.667 1.00 14.45 H new ATOM 1082 N GLY A 68 6.633 -15.812 25.043 1.00 31.23 N ATOM 1083 CA GLY A 68 7.373 -15.587 23.815 1.00 30.14 C ATOM 1084 C GLY A 68 7.266 -14.156 23.328 1.00 3.44 C ATOM 1085 O GLY A 68 6.222 -13.521 23.472 1.00 21.05 O ATOM 0 H GLY A 68 6.223 -14.974 25.456 1.00 31.23 H new ATOM 0 HA2 GLY A 68 8.422 -15.835 23.976 1.00 30.14 H new ATOM 0 HA3 GLY A 68 7.001 -16.259 23.042 1.00 30.14 H new ATOM 1089 N GLU A 69 8.350 -13.646 22.752 1.00 44.12 N ATOM 1090 CA GLU A 69 8.374 -12.279 22.245 1.00 51.03 C ATOM 1091 C GLU A 69 7.441 -12.127 21.047 1.00 71.03 C ATOM 1092 O GLU A 69 6.885 -11.054 20.810 1.00 34.42 O ATOM 1093 CB GLU A 69 9.798 -11.882 21.850 1.00 71.44 C ATOM 1094 CG GLU A 69 10.344 -12.669 20.670 1.00 31.41 C ATOM 1095 CD GLU A 69 11.706 -12.178 20.221 1.00 2.31 C ATOM 1096 OE1 GLU A 69 11.757 -11.247 19.391 1.00 45.34 O ATOM 1097 OE2 GLU A 69 12.721 -12.724 20.701 1.00 23.51 O ATOM 0 H GLU A 69 9.223 -14.159 22.625 1.00 44.12 H new ATOM 0 HA GLU A 69 8.028 -11.618 23.040 1.00 51.03 H new ATOM 0 HB2 GLU A 69 9.816 -10.820 21.607 1.00 71.44 H new ATOM 0 HB3 GLU A 69 10.457 -12.024 22.707 1.00 71.44 H new ATOM 0 HG2 GLU A 69 10.413 -13.722 20.942 1.00 31.41 H new ATOM 0 HG3 GLU A 69 9.644 -12.600 19.837 1.00 31.41 H new ATOM 1104 N LYS A 70 7.275 -13.209 20.293 1.00 51.52 N ATOM 1105 CA LYS A 70 6.410 -13.198 19.119 1.00 34.22 C ATOM 1106 C LYS A 70 4.977 -12.840 19.502 1.00 23.04 C ATOM 1107 O LYS A 70 4.526 -11.719 19.273 1.00 43.55 O ATOM 1108 CB LYS A 70 6.438 -14.563 18.427 1.00 13.05 C ATOM 1109 CG LYS A 70 6.169 -14.494 16.934 1.00 12.42 C ATOM 1110 CD LYS A 70 7.453 -14.304 16.144 1.00 20.25 C ATOM 1111 CE LYS A 70 7.684 -12.841 15.799 1.00 71.25 C ATOM 1112 NZ LYS A 70 8.612 -12.684 14.644 1.00 15.12 N ATOM 0 H LYS A 70 7.728 -14.105 20.474 1.00 51.52 H new ATOM 0 HA LYS A 70 6.784 -12.440 18.430 1.00 34.22 H new ATOM 0 HB2 LYS A 70 7.412 -15.024 18.591 1.00 13.05 H new ATOM 0 HB3 LYS A 70 5.696 -15.212 18.892 1.00 13.05 H new ATOM 0 HG2 LYS A 70 5.674 -15.409 16.610 1.00 12.42 H new ATOM 0 HG3 LYS A 70 5.486 -13.671 16.724 1.00 12.42 H new ATOM 0 HD2 LYS A 70 8.297 -14.680 16.723 1.00 20.25 H new ATOM 0 HD3 LYS A 70 7.408 -14.892 15.227 1.00 20.25 H new ATOM 0 HE2 LYS A 70 6.730 -12.368 15.566 1.00 71.25 H new ATOM 0 HE3 LYS A 70 8.093 -12.323 16.667 1.00 71.25 H new ATOM 0 HZ1 LYS A 70 8.744 -11.673 14.440 1.00 15.12 H new ATOM 0 HZ2 LYS A 70 9.530 -13.113 14.876 1.00 15.12 H new ATOM 0 HZ3 LYS A 70 8.210 -13.156 13.809 1.00 15.12 H new ATOM 1126 N GLU A 71 4.269 -13.800 20.089 1.00 54.14 N ATOM 1127 CA GLU A 71 2.888 -13.584 20.504 1.00 54.32 C ATOM 1128 C GLU A 71 2.765 -12.317 21.346 1.00 55.25 C ATOM 1129 O GLU A 71 1.708 -11.688 21.388 1.00 12.44 O ATOM 1130 CB GLU A 71 2.376 -14.788 21.297 1.00 14.20 C ATOM 1131 CG GLU A 71 3.366 -15.303 22.328 1.00 71.32 C ATOM 1132 CD GLU A 71 4.143 -16.510 21.838 1.00 42.42 C ATOM 1133 OE1 GLU A 71 4.258 -16.682 20.606 1.00 33.24 O ATOM 1134 OE2 GLU A 71 4.637 -17.281 22.687 1.00 43.13 O ATOM 0 H GLU A 71 4.629 -14.734 20.288 1.00 54.14 H new ATOM 0 HA GLU A 71 2.281 -13.464 19.607 1.00 54.32 H new ATOM 0 HB2 GLU A 71 1.449 -14.513 21.801 1.00 14.20 H new ATOM 0 HB3 GLU A 71 2.135 -15.593 20.603 1.00 14.20 H new ATOM 0 HG2 GLU A 71 4.064 -14.506 22.586 1.00 71.32 H new ATOM 0 HG3 GLU A 71 2.831 -15.566 23.241 1.00 71.32 H new ATOM 1141 N ALA A 72 3.853 -11.949 22.014 1.00 70.51 N ATOM 1142 CA ALA A 72 3.868 -10.758 22.853 1.00 2.22 C ATOM 1143 C ALA A 72 3.302 -9.554 22.108 1.00 71.12 C ATOM 1144 O ALA A 72 2.280 -8.992 22.502 1.00 52.05 O ATOM 1145 CB ALA A 72 5.283 -10.467 23.331 1.00 21.12 C ATOM 0 H ALA A 72 4.736 -12.459 21.990 1.00 70.51 H new ATOM 0 HA ALA A 72 3.235 -10.947 23.720 1.00 2.22 H new ATOM 0 HB1 ALA A 72 5.279 -9.575 23.957 1.00 21.12 H new ATOM 0 HB2 ALA A 72 5.653 -11.314 23.909 1.00 21.12 H new ATOM 0 HB3 ALA A 72 5.931 -10.304 22.470 1.00 21.12 H new ATOM 1151 N VAL A 73 3.973 -9.162 21.029 1.00 32.42 N ATOM 1152 CA VAL A 73 3.536 -8.025 20.228 1.00 31.12 C ATOM 1153 C VAL A 73 2.129 -8.245 19.684 1.00 50.44 C ATOM 1154 O VAL A 73 1.321 -7.317 19.626 1.00 24.05 O ATOM 1155 CB VAL A 73 4.495 -7.766 19.052 1.00 43.44 C ATOM 1156 CG1 VAL A 73 3.796 -6.974 17.957 1.00 62.22 C ATOM 1157 CG2 VAL A 73 5.743 -7.040 19.532 1.00 52.50 C ATOM 0 H VAL A 73 4.821 -9.615 20.690 1.00 32.42 H new ATOM 0 HA VAL A 73 3.536 -7.155 20.885 1.00 31.12 H new ATOM 0 HB VAL A 73 4.799 -8.726 18.635 1.00 43.44 H new ATOM 0 HG11 VAL A 73 4.490 -6.801 17.134 1.00 62.22 H new ATOM 0 HG12 VAL A 73 2.936 -7.536 17.594 1.00 62.22 H new ATOM 0 HG13 VAL A 73 3.461 -6.017 18.357 1.00 62.22 H new ATOM 0 HG21 VAL A 73 6.410 -6.865 18.688 1.00 52.50 H new ATOM 0 HG22 VAL A 73 5.461 -6.085 19.975 1.00 52.50 H new ATOM 0 HG23 VAL A 73 6.254 -7.649 20.278 1.00 52.50 H new ATOM 1167 N LYS A 74 1.841 -9.479 19.284 1.00 0.33 N ATOM 1168 CA LYS A 74 0.531 -9.823 18.745 1.00 14.23 C ATOM 1169 C LYS A 74 -0.558 -9.626 19.795 1.00 13.21 C ATOM 1170 O LYS A 74 -1.655 -9.160 19.486 1.00 11.45 O ATOM 1171 CB LYS A 74 0.523 -11.272 18.253 1.00 3.22 C ATOM 1172 CG LYS A 74 0.310 -11.404 16.755 1.00 20.32 C ATOM 1173 CD LYS A 74 0.637 -12.806 16.267 1.00 0.32 C ATOM 1174 CE LYS A 74 -0.271 -13.223 15.120 1.00 1.53 C ATOM 1175 NZ LYS A 74 0.369 -14.248 14.251 1.00 61.22 N ATOM 0 H LYS A 74 2.498 -10.258 19.323 1.00 0.33 H new ATOM 0 HA LYS A 74 0.326 -9.159 17.905 1.00 14.23 H new ATOM 0 HB2 LYS A 74 1.469 -11.743 18.520 1.00 3.22 H new ATOM 0 HB3 LYS A 74 -0.263 -11.819 18.773 1.00 3.22 H new ATOM 0 HG2 LYS A 74 -0.725 -11.165 16.511 1.00 20.32 H new ATOM 0 HG3 LYS A 74 0.936 -10.681 16.232 1.00 20.32 H new ATOM 0 HD2 LYS A 74 1.677 -12.846 15.942 1.00 0.32 H new ATOM 0 HD3 LYS A 74 0.533 -13.513 17.090 1.00 0.32 H new ATOM 0 HE2 LYS A 74 -1.204 -13.618 15.521 1.00 1.53 H new ATOM 0 HE3 LYS A 74 -0.526 -12.348 14.522 1.00 1.53 H new ATOM 0 HZ1 LYS A 74 -0.281 -14.506 13.481 1.00 61.22 H new ATOM 0 HZ2 LYS A 74 1.247 -13.862 13.848 1.00 61.22 H new ATOM 0 HZ3 LYS A 74 0.589 -15.093 14.816 1.00 61.22 H new ATOM 1189 N VAL A 75 -0.248 -9.983 21.037 1.00 0.34 N ATOM 1190 CA VAL A 75 -1.199 -9.843 22.133 1.00 13.44 C ATOM 1191 C VAL A 75 -1.537 -8.377 22.384 1.00 75.24 C ATOM 1192 O VAL A 75 -2.584 -8.058 22.948 1.00 2.02 O ATOM 1193 CB VAL A 75 -0.653 -10.461 23.434 1.00 64.23 C ATOM 1194 CG1 VAL A 75 -0.102 -9.379 24.350 1.00 55.10 C ATOM 1195 CG2 VAL A 75 -1.735 -11.267 24.136 1.00 12.43 C ATOM 0 H VAL A 75 0.655 -10.372 21.309 1.00 0.34 H new ATOM 0 HA VAL A 75 -2.102 -10.377 21.837 1.00 13.44 H new ATOM 0 HB VAL A 75 0.163 -11.137 23.180 1.00 64.23 H new ATOM 0 HG11 VAL A 75 0.279 -9.835 25.264 1.00 55.10 H new ATOM 0 HG12 VAL A 75 0.706 -8.851 23.844 1.00 55.10 H new ATOM 0 HG13 VAL A 75 -0.896 -8.675 24.600 1.00 55.10 H new ATOM 0 HG21 VAL A 75 -1.332 -11.696 25.053 1.00 12.43 H new ATOM 0 HG22 VAL A 75 -2.574 -10.615 24.379 1.00 12.43 H new ATOM 0 HG23 VAL A 75 -2.076 -12.068 23.480 1.00 12.43 H new ATOM 1205 N VAL A 76 -0.645 -7.489 21.959 1.00 4.40 N ATOM 1206 CA VAL A 76 -0.849 -6.056 22.135 1.00 4.23 C ATOM 1207 C VAL A 76 -1.772 -5.496 21.059 1.00 3.41 C ATOM 1208 O VAL A 76 -2.763 -4.829 21.361 1.00 62.32 O ATOM 1209 CB VAL A 76 0.487 -5.290 22.100 1.00 63.13 C ATOM 1210 CG1 VAL A 76 0.268 -3.853 21.651 1.00 33.34 C ATOM 1211 CG2 VAL A 76 1.163 -5.335 23.462 1.00 40.21 C ATOM 0 H VAL A 76 0.226 -7.736 21.490 1.00 4.40 H new ATOM 0 HA VAL A 76 -1.311 -5.920 23.113 1.00 4.23 H new ATOM 0 HB VAL A 76 1.144 -5.774 21.378 1.00 63.13 H new ATOM 0 HG11 VAL A 76 1.223 -3.328 21.633 1.00 33.34 H new ATOM 0 HG12 VAL A 76 -0.169 -3.846 20.652 1.00 33.34 H new ATOM 0 HG13 VAL A 76 -0.407 -3.354 22.346 1.00 33.34 H new ATOM 0 HG21 VAL A 76 2.105 -4.789 23.419 1.00 40.21 H new ATOM 0 HG22 VAL A 76 0.512 -4.877 24.207 1.00 40.21 H new ATOM 0 HG23 VAL A 76 1.357 -6.372 23.738 1.00 40.21 H new ATOM 1221 N LEU A 77 -1.441 -5.770 19.802 1.00 23.22 N ATOM 1222 CA LEU A 77 -2.241 -5.294 18.679 1.00 64.21 C ATOM 1223 C LEU A 77 -3.610 -5.966 18.662 1.00 1.12 C ATOM 1224 O LEU A 77 -4.641 -5.298 18.579 1.00 44.45 O ATOM 1225 CB LEU A 77 -1.513 -5.561 17.360 1.00 0.30 C ATOM 1226 CG LEU A 77 -0.990 -6.983 17.157 1.00 33.34 C ATOM 1227 CD1 LEU A 77 -1.936 -7.778 16.271 1.00 34.52 C ATOM 1228 CD2 LEU A 77 0.409 -6.957 16.559 1.00 34.41 C ATOM 0 H LEU A 77 -0.624 -6.319 19.535 1.00 23.22 H new ATOM 0 HA LEU A 77 -2.385 -4.220 18.797 1.00 64.21 H new ATOM 0 HB2 LEU A 77 -2.191 -5.324 16.540 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -0.671 -4.872 17.287 1.00 0.30 H new ATOM 0 HG LEU A 77 -0.938 -7.473 18.129 1.00 33.34 H new ATOM 0 HD11 LEU A 77 -1.547 -8.788 16.138 1.00 34.52 H new ATOM 0 HD12 LEU A 77 -2.919 -7.826 16.740 1.00 34.52 H new ATOM 0 HD13 LEU A 77 -2.021 -7.291 15.300 1.00 34.52 H new ATOM 0 HD21 LEU A 77 0.765 -7.978 16.422 1.00 34.41 H new ATOM 0 HD22 LEU A 77 0.383 -6.449 15.595 1.00 34.41 H new ATOM 0 HD23 LEU A 77 1.082 -6.425 17.231 1.00 34.41 H new ATOM 1240 N LYS A 78 -3.614 -7.292 18.744 1.00 23.03 N ATOM 1241 CA LYS A 78 -4.856 -8.056 18.742 1.00 2.33 C ATOM 1242 C LYS A 78 -5.841 -7.494 19.762 1.00 75.01 C ATOM 1243 O LYS A 78 -7.018 -7.301 19.461 1.00 55.13 O ATOM 1244 CB LYS A 78 -4.573 -9.528 19.048 1.00 75.53 C ATOM 1245 CG LYS A 78 -5.659 -10.470 18.557 1.00 34.42 C ATOM 1246 CD LYS A 78 -6.491 -11.010 19.708 1.00 33.14 C ATOM 1247 CE LYS A 78 -7.620 -10.058 20.075 1.00 62.52 C ATOM 1248 NZ LYS A 78 -8.817 -10.786 20.579 1.00 32.11 N ATOM 0 H LYS A 78 -2.770 -7.861 18.813 1.00 23.03 H new ATOM 0 HA LYS A 78 -5.302 -7.976 17.750 1.00 2.33 H new ATOM 0 HB2 LYS A 78 -3.625 -9.810 18.590 1.00 75.53 H new ATOM 0 HB3 LYS A 78 -4.456 -9.651 20.125 1.00 75.53 H new ATOM 0 HG2 LYS A 78 -6.306 -9.946 17.854 1.00 34.42 H new ATOM 0 HG3 LYS A 78 -5.205 -11.299 18.015 1.00 34.42 H new ATOM 0 HD2 LYS A 78 -6.906 -11.980 19.434 1.00 33.14 H new ATOM 0 HD3 LYS A 78 -5.852 -11.170 20.576 1.00 33.14 H new ATOM 0 HE2 LYS A 78 -7.273 -9.359 20.836 1.00 62.52 H new ATOM 0 HE3 LYS A 78 -7.895 -9.467 19.201 1.00 62.52 H new ATOM 0 HZ1 LYS A 78 -9.564 -10.103 20.818 1.00 32.11 H new ATOM 0 HZ2 LYS A 78 -9.164 -11.435 19.844 1.00 32.11 H new ATOM 0 HZ3 LYS A 78 -8.561 -11.330 21.428 1.00 32.11 H new ATOM 1262 N GLY A 79 -5.352 -7.232 20.970 1.00 22.42 N ATOM 1263 CA GLY A 79 -6.203 -6.694 22.015 1.00 60.10 C ATOM 1264 C GLY A 79 -6.444 -5.206 21.857 1.00 4.24 C ATOM 1265 O GLY A 79 -7.448 -4.677 22.337 1.00 64.31 O ATOM 0 H GLY A 79 -4.381 -7.383 21.244 1.00 22.42 H new ATOM 0 HA2 GLY A 79 -7.159 -7.217 22.006 1.00 60.10 H new ATOM 0 HA3 GLY A 79 -5.745 -6.884 22.986 1.00 60.10 H new ATOM 1269 N LEU A 80 -5.520 -4.527 21.185 1.00 14.15 N ATOM 1270 CA LEU A 80 -5.636 -3.089 20.967 1.00 23.12 C ATOM 1271 C LEU A 80 -6.704 -2.781 19.923 1.00 40.21 C ATOM 1272 O LEU A 80 -7.344 -1.730 19.965 1.00 33.12 O ATOM 1273 CB LEU A 80 -4.291 -2.511 20.523 1.00 23.34 C ATOM 1274 CG LEU A 80 -3.368 -2.023 21.641 1.00 54.10 C ATOM 1275 CD1 LEU A 80 -2.065 -1.494 21.064 1.00 4.41 C ATOM 1276 CD2 LEU A 80 -4.059 -0.952 22.473 1.00 72.12 C ATOM 0 H LEU A 80 -4.683 -4.949 20.782 1.00 14.15 H new ATOM 0 HA LEU A 80 -5.931 -2.626 21.909 1.00 23.12 H new ATOM 0 HB2 LEU A 80 -3.763 -3.272 19.949 1.00 23.34 H new ATOM 0 HB3 LEU A 80 -4.482 -1.678 19.847 1.00 23.34 H new ATOM 0 HG LEU A 80 -3.137 -2.867 22.291 1.00 54.10 H new ATOM 0 HD11 LEU A 80 -1.421 -1.151 21.874 1.00 4.41 H new ATOM 0 HD12 LEU A 80 -1.562 -2.288 20.512 1.00 4.41 H new ATOM 0 HD13 LEU A 80 -2.276 -0.662 20.392 1.00 4.41 H new ATOM 0 HD21 LEU A 80 -3.388 -0.616 23.264 1.00 72.12 H new ATOM 0 HD22 LEU A 80 -4.319 -0.107 21.835 1.00 72.12 H new ATOM 0 HD23 LEU A 80 -4.965 -1.364 22.917 1.00 72.12 H new ATOM 1288 N LYS A 81 -6.893 -3.705 18.987 1.00 40.31 N ATOM 1289 CA LYS A 81 -7.886 -3.535 17.933 1.00 40.21 C ATOM 1290 C LYS A 81 -9.252 -3.199 18.522 1.00 75.22 C ATOM 1291 O LYS A 81 -9.846 -2.172 18.193 1.00 72.22 O ATOM 1292 CB LYS A 81 -7.982 -4.805 17.085 1.00 73.01 C ATOM 1293 CG LYS A 81 -7.131 -4.763 15.828 1.00 52.15 C ATOM 1294 CD LYS A 81 -7.924 -5.189 14.603 1.00 2.21 C ATOM 1295 CE LYS A 81 -8.172 -4.018 13.664 1.00 5.15 C ATOM 1296 NZ LYS A 81 -8.783 -4.457 12.380 1.00 40.25 N ATOM 0 H LYS A 81 -6.371 -4.580 18.937 1.00 40.31 H new ATOM 0 HA LYS A 81 -7.569 -2.706 17.300 1.00 40.21 H new ATOM 0 HB2 LYS A 81 -7.679 -5.660 17.690 1.00 73.01 H new ATOM 0 HB3 LYS A 81 -9.023 -4.966 16.804 1.00 73.01 H new ATOM 0 HG2 LYS A 81 -6.747 -3.754 15.681 1.00 52.15 H new ATOM 0 HG3 LYS A 81 -6.268 -5.418 15.950 1.00 52.15 H new ATOM 0 HD2 LYS A 81 -7.383 -5.973 14.073 1.00 2.21 H new ATOM 0 HD3 LYS A 81 -8.878 -5.614 14.916 1.00 2.21 H new ATOM 0 HE2 LYS A 81 -8.828 -3.295 14.150 1.00 5.15 H new ATOM 0 HE3 LYS A 81 -7.230 -3.508 13.462 1.00 5.15 H new ATOM 0 HZ1 LYS A 81 -8.936 -3.630 11.768 1.00 40.25 H new ATOM 0 HZ2 LYS A 81 -8.146 -5.127 11.904 1.00 40.25 H new ATOM 0 HZ3 LYS A 81 -9.694 -4.921 12.570 1.00 40.25 H new ATOM 1310 N VAL A 82 -9.746 -4.071 19.395 1.00 22.34 N ATOM 1311 CA VAL A 82 -11.041 -3.866 20.032 1.00 11.02 C ATOM 1312 C VAL A 82 -11.059 -2.571 20.836 1.00 11.22 C ATOM 1313 O VAL A 82 -12.098 -2.167 21.359 1.00 63.15 O ATOM 1314 CB VAL A 82 -11.402 -5.040 20.962 1.00 3.42 C ATOM 1315 CG1 VAL A 82 -12.889 -5.032 21.279 1.00 34.33 C ATOM 1316 CG2 VAL A 82 -10.989 -6.362 20.335 1.00 64.43 C ATOM 0 H VAL A 82 -9.268 -4.927 19.677 1.00 22.34 H new ATOM 0 HA VAL A 82 -11.780 -3.805 19.233 1.00 11.02 H new ATOM 0 HB VAL A 82 -10.855 -4.922 21.897 1.00 3.42 H new ATOM 0 HG11 VAL A 82 -13.125 -5.868 21.937 1.00 34.33 H new ATOM 0 HG12 VAL A 82 -13.151 -4.096 21.773 1.00 34.33 H new ATOM 0 HG13 VAL A 82 -13.459 -5.126 20.354 1.00 34.33 H new ATOM 0 HG21 VAL A 82 -11.251 -7.180 21.005 1.00 64.43 H new ATOM 0 HG22 VAL A 82 -11.507 -6.491 19.385 1.00 64.43 H new ATOM 0 HG23 VAL A 82 -9.912 -6.363 20.165 1.00 64.43 H new ATOM 1326 N MET A 83 -9.902 -1.923 20.931 1.00 72.51 N ATOM 1327 CA MET A 83 -9.786 -0.672 21.670 1.00 4.04 C ATOM 1328 C MET A 83 -9.719 0.518 20.718 1.00 30.12 C ATOM 1329 O MET A 83 -9.808 1.669 21.142 1.00 2.30 O ATOM 1330 CB MET A 83 -8.543 -0.696 22.563 1.00 52.02 C ATOM 1331 CG MET A 83 -8.504 0.433 23.580 1.00 22.21 C ATOM 1332 SD MET A 83 -9.743 0.244 24.876 1.00 73.22 S ATOM 1333 CE MET A 83 -8.740 0.478 26.341 1.00 51.11 C ATOM 0 H MET A 83 -9.032 -2.244 20.505 1.00 72.51 H new ATOM 0 HA MET A 83 -10.672 -0.565 22.295 1.00 4.04 H new ATOM 0 HB2 MET A 83 -8.502 -1.650 23.089 1.00 52.02 H new ATOM 0 HB3 MET A 83 -7.654 -0.640 21.935 1.00 52.02 H new ATOM 0 HG2 MET A 83 -7.513 0.474 24.033 1.00 22.21 H new ATOM 0 HG3 MET A 83 -8.661 1.383 23.069 1.00 22.21 H new ATOM 0 HE1 MET A 83 -9.075 -0.203 27.124 1.00 51.11 H new ATOM 0 HE2 MET A 83 -7.696 0.273 26.104 1.00 51.11 H new ATOM 0 HE3 MET A 83 -8.838 1.506 26.689 1.00 51.11 H new ATOM 1343 N ASN A 84 -9.562 0.231 19.430 1.00 41.21 N ATOM 1344 CA ASN A 84 -9.483 1.278 18.418 1.00 44.40 C ATOM 1345 C ASN A 84 -8.130 1.983 18.469 1.00 15.24 C ATOM 1346 O ASN A 84 -8.022 3.166 18.143 1.00 64.01 O ATOM 1347 CB ASN A 84 -10.608 2.295 18.617 1.00 13.22 C ATOM 1348 CG ASN A 84 -11.307 2.646 17.318 1.00 73.11 C ATOM 1349 OD1 ASN A 84 -10.709 2.590 16.243 1.00 21.04 O ATOM 1350 ND2 ASN A 84 -12.581 3.010 17.411 1.00 41.10 N ATOM 0 H ASN A 84 -9.487 -0.718 19.062 1.00 41.21 H new ATOM 0 HA ASN A 84 -9.593 0.811 17.439 1.00 44.40 H new ATOM 0 HB2 ASN A 84 -11.337 1.893 19.321 1.00 13.22 H new ATOM 0 HB3 ASN A 84 -10.200 3.202 19.063 1.00 13.22 H new ATOM 0 HD21 ASN A 84 -13.103 3.257 16.571 1.00 41.10 H new ATOM 0 HD22 ASN A 84 -13.037 3.042 18.323 1.00 41.10 H new ATOM 1357 N LEU A 85 -7.102 1.249 18.881 1.00 54.52 N ATOM 1358 CA LEU A 85 -5.756 1.803 18.975 1.00 51.34 C ATOM 1359 C LEU A 85 -4.978 1.566 17.684 1.00 34.21 C ATOM 1360 O LEU A 85 -3.751 1.465 17.696 1.00 42.01 O ATOM 1361 CB LEU A 85 -5.009 1.181 20.156 1.00 43.54 C ATOM 1362 CG LEU A 85 -4.901 2.046 21.412 1.00 11.22 C ATOM 1363 CD1 LEU A 85 -4.544 3.478 21.046 1.00 44.23 C ATOM 1364 CD2 LEU A 85 -6.202 2.004 22.201 1.00 4.43 C ATOM 0 H LEU A 85 -7.175 0.269 19.155 1.00 54.52 H new ATOM 0 HA LEU A 85 -5.842 2.878 19.133 1.00 51.34 H new ATOM 0 HB2 LEU A 85 -5.505 0.248 20.423 1.00 43.54 H new ATOM 0 HB3 LEU A 85 -4.002 0.924 19.828 1.00 43.54 H new ATOM 0 HG LEU A 85 -4.105 1.644 22.039 1.00 11.22 H new ATOM 0 HD11 LEU A 85 -4.472 4.078 21.953 1.00 44.23 H new ATOM 0 HD12 LEU A 85 -3.587 3.492 20.524 1.00 44.23 H new ATOM 0 HD13 LEU A 85 -5.317 3.891 20.398 1.00 44.23 H new ATOM 0 HD21 LEU A 85 -6.108 2.625 23.092 1.00 4.43 H new ATOM 0 HD22 LEU A 85 -7.016 2.380 21.581 1.00 4.43 H new ATOM 0 HD23 LEU A 85 -6.416 0.977 22.496 1.00 4.43 H new ATOM 1376 N LEU A 86 -5.700 1.479 16.572 1.00 11.32 N ATOM 1377 CA LEU A 86 -5.078 1.256 15.272 1.00 41.03 C ATOM 1378 C LEU A 86 -4.092 2.372 14.941 1.00 30.10 C ATOM 1379 O LEU A 86 -3.267 2.236 14.039 1.00 64.13 O ATOM 1380 CB LEU A 86 -6.147 1.165 14.182 1.00 53.13 C ATOM 1381 CG LEU A 86 -7.377 0.320 14.517 1.00 41.25 C ATOM 1382 CD1 LEU A 86 -8.620 1.193 14.592 1.00 1.11 C ATOM 1383 CD2 LEU A 86 -7.561 -0.785 13.487 1.00 70.11 C ATOM 0 H LEU A 86 -6.716 1.560 16.545 1.00 11.32 H new ATOM 0 HA LEU A 86 -4.531 0.314 15.316 1.00 41.03 H new ATOM 0 HB2 LEU A 86 -6.479 2.175 13.942 1.00 53.13 H new ATOM 0 HB3 LEU A 86 -5.686 0.759 13.282 1.00 53.13 H new ATOM 0 HG LEU A 86 -7.223 -0.141 15.492 1.00 41.25 H new ATOM 0 HD11 LEU A 86 -9.485 0.575 14.831 1.00 1.11 H new ATOM 0 HD12 LEU A 86 -8.488 1.948 15.367 1.00 1.11 H new ATOM 0 HD13 LEU A 86 -8.779 1.683 13.631 1.00 1.11 H new ATOM 0 HD21 LEU A 86 -8.441 -1.376 13.741 1.00 70.11 H new ATOM 0 HD22 LEU A 86 -7.693 -0.343 12.499 1.00 70.11 H new ATOM 0 HD23 LEU A 86 -6.681 -1.428 13.482 1.00 70.11 H new ATOM 1395 N GLU A 87 -4.184 3.474 15.679 1.00 24.33 N ATOM 1396 CA GLU A 87 -3.298 4.612 15.464 1.00 11.14 C ATOM 1397 C GLU A 87 -1.836 4.177 15.492 1.00 62.23 C ATOM 1398 O GLU A 87 -1.213 3.989 14.446 1.00 64.50 O ATOM 1399 CB GLU A 87 -3.542 5.684 16.528 1.00 13.43 C ATOM 1400 CG GLU A 87 -2.509 6.798 16.519 1.00 43.15 C ATOM 1401 CD GLU A 87 -3.109 8.154 16.838 1.00 64.44 C ATOM 1402 OE1 GLU A 87 -4.153 8.195 17.521 1.00 24.03 O ATOM 1403 OE2 GLU A 87 -2.533 9.173 16.403 1.00 11.53 O ATOM 0 H GLU A 87 -4.862 3.603 16.430 1.00 24.33 H new ATOM 0 HA GLU A 87 -3.516 5.029 14.481 1.00 11.14 H new ATOM 0 HB2 GLU A 87 -4.531 6.116 16.376 1.00 13.43 H new ATOM 0 HB3 GLU A 87 -3.548 5.213 17.511 1.00 13.43 H new ATOM 0 HG2 GLU A 87 -1.729 6.570 17.245 1.00 43.15 H new ATOM 0 HG3 GLU A 87 -2.032 6.838 15.540 1.00 43.15 H new ATOM 1410 N LEU A 88 -1.294 4.019 16.694 1.00 11.23 N ATOM 1411 CA LEU A 88 0.095 3.607 16.859 1.00 24.55 C ATOM 1412 C LEU A 88 0.293 2.165 16.402 1.00 44.14 C ATOM 1413 O LEU A 88 1.386 1.779 15.985 1.00 11.25 O ATOM 1414 CB LEU A 88 0.521 3.752 18.321 1.00 10.35 C ATOM 1415 CG LEU A 88 0.222 2.559 19.230 1.00 41.03 C ATOM 1416 CD1 LEU A 88 -1.254 2.198 19.168 1.00 21.20 C ATOM 1417 CD2 LEU A 88 1.082 1.365 18.842 1.00 71.12 C ATOM 0 H LEU A 88 -1.796 4.170 17.569 1.00 11.23 H new ATOM 0 HA LEU A 88 0.716 4.255 16.240 1.00 24.55 H new ATOM 0 HB2 LEU A 88 1.594 3.944 18.348 1.00 10.35 H new ATOM 0 HB3 LEU A 88 0.029 4.632 18.736 1.00 10.35 H new ATOM 0 HG LEU A 88 0.464 2.838 20.256 1.00 41.03 H new ATOM 0 HD11 LEU A 88 -1.448 1.347 19.821 1.00 21.20 H new ATOM 0 HD12 LEU A 88 -1.851 3.050 19.495 1.00 21.20 H new ATOM 0 HD13 LEU A 88 -1.522 1.938 18.144 1.00 21.20 H new ATOM 0 HD21 LEU A 88 0.856 0.525 19.499 1.00 71.12 H new ATOM 0 HD22 LEU A 88 0.871 1.085 17.810 1.00 71.12 H new ATOM 0 HD23 LEU A 88 2.135 1.628 18.939 1.00 71.12 H new ATOM 1429 N VAL A 89 -0.772 1.373 16.479 1.00 5.33 N ATOM 1430 CA VAL A 89 -0.716 -0.025 16.070 1.00 51.02 C ATOM 1431 C VAL A 89 -0.467 -0.149 14.571 1.00 60.21 C ATOM 1432 O VAL A 89 0.127 -1.124 14.109 1.00 52.55 O ATOM 1433 CB VAL A 89 -2.018 -0.766 16.426 1.00 75.12 C ATOM 1434 CG1 VAL A 89 -2.171 -2.017 15.574 1.00 53.12 C ATOM 1435 CG2 VAL A 89 -2.046 -1.113 17.907 1.00 63.23 C ATOM 0 H VAL A 89 -1.684 1.676 16.821 1.00 5.33 H new ATOM 0 HA VAL A 89 0.113 -0.481 16.612 1.00 51.02 H new ATOM 0 HB VAL A 89 -2.860 -0.107 16.215 1.00 75.12 H new ATOM 0 HG11 VAL A 89 -3.097 -2.527 15.840 1.00 53.12 H new ATOM 0 HG12 VAL A 89 -2.200 -1.738 14.521 1.00 53.12 H new ATOM 0 HG13 VAL A 89 -1.326 -2.683 15.750 1.00 53.12 H new ATOM 0 HG21 VAL A 89 -2.973 -1.636 18.141 1.00 63.23 H new ATOM 0 HG22 VAL A 89 -1.197 -1.754 18.147 1.00 63.23 H new ATOM 0 HG23 VAL A 89 -1.987 -0.198 18.496 1.00 63.23 H new ATOM 1445 N ASP A 90 -0.924 0.844 13.817 1.00 52.23 N ATOM 1446 CA ASP A 90 -0.750 0.848 12.369 1.00 63.42 C ATOM 1447 C ASP A 90 0.648 0.369 11.989 1.00 60.02 C ATOM 1448 O ASP A 90 0.802 -0.546 11.180 1.00 11.30 O ATOM 1449 CB ASP A 90 -0.992 2.250 11.808 1.00 73.42 C ATOM 1450 CG ASP A 90 -1.578 2.220 10.410 1.00 53.41 C ATOM 1451 OD1 ASP A 90 -2.486 1.399 10.164 1.00 71.43 O ATOM 1452 OD2 ASP A 90 -1.130 3.020 9.562 1.00 23.02 O ATOM 0 H ASP A 90 -1.418 1.657 14.184 1.00 52.23 H new ATOM 0 HA ASP A 90 -1.480 0.162 11.938 1.00 63.42 H new ATOM 0 HB2 ASP A 90 -1.667 2.792 12.470 1.00 73.42 H new ATOM 0 HB3 ASP A 90 -0.051 2.800 11.793 1.00 73.42 H new ATOM 1457 N GLN A 91 1.662 0.995 12.577 1.00 65.40 N ATOM 1458 CA GLN A 91 3.047 0.633 12.298 1.00 3.11 C ATOM 1459 C GLN A 91 3.444 -0.629 13.057 1.00 11.10 C ATOM 1460 O GLN A 91 3.806 -1.640 12.455 1.00 72.54 O ATOM 1461 CB GLN A 91 3.982 1.784 12.674 1.00 65.21 C ATOM 1462 CG GLN A 91 4.922 2.195 11.552 1.00 50.50 C ATOM 1463 CD GLN A 91 5.805 3.368 11.931 1.00 23.31 C ATOM 1464 OE1 GLN A 91 5.390 4.258 12.673 1.00 1.31 O ATOM 1465 NE2 GLN A 91 7.032 3.374 11.423 1.00 70.34 N ATOM 0 H GLN A 91 1.551 1.754 13.249 1.00 65.40 H new ATOM 0 HA GLN A 91 3.136 0.435 11.230 1.00 3.11 H new ATOM 0 HB2 GLN A 91 3.383 2.646 12.969 1.00 65.21 H new ATOM 0 HB3 GLN A 91 4.572 1.493 13.543 1.00 65.21 H new ATOM 0 HG2 GLN A 91 5.549 1.346 11.279 1.00 50.50 H new ATOM 0 HG3 GLN A 91 4.337 2.456 10.670 1.00 50.50 H new ATOM 0 HE21 GLN A 91 7.335 2.615 10.812 1.00 70.34 H new ATOM 0 HE22 GLN A 91 7.672 4.137 11.644 1.00 70.34 H new ATOM 1474 N LEU A 92 3.374 -0.563 14.382 1.00 42.20 N ATOM 1475 CA LEU A 92 3.726 -1.701 15.224 1.00 4.54 C ATOM 1476 C LEU A 92 3.345 -3.015 14.551 1.00 31.14 C ATOM 1477 O LEU A 92 4.167 -3.922 14.428 1.00 25.50 O ATOM 1478 CB LEU A 92 3.032 -1.589 16.583 1.00 74.15 C ATOM 1479 CG LEU A 92 3.064 -2.843 17.458 1.00 54.43 C ATOM 1480 CD1 LEU A 92 1.978 -3.819 17.032 1.00 14.42 C ATOM 1481 CD2 LEU A 92 4.433 -3.504 17.393 1.00 53.34 C ATOM 0 H LEU A 92 3.077 0.266 14.896 1.00 42.20 H new ATOM 0 HA LEU A 92 4.806 -1.691 15.373 1.00 4.54 H new ATOM 0 HB2 LEU A 92 3.493 -0.771 17.138 1.00 74.15 H new ATOM 0 HB3 LEU A 92 1.991 -1.314 16.415 1.00 74.15 H new ATOM 0 HG LEU A 92 2.874 -2.548 18.490 1.00 54.43 H new ATOM 0 HD11 LEU A 92 2.016 -4.705 17.666 1.00 14.42 H new ATOM 0 HD12 LEU A 92 1.002 -3.344 17.131 1.00 14.42 H new ATOM 0 HD13 LEU A 92 2.136 -4.109 15.993 1.00 14.42 H new ATOM 0 HD21 LEU A 92 4.437 -4.394 18.022 1.00 53.34 H new ATOM 0 HD22 LEU A 92 4.652 -3.786 16.363 1.00 53.34 H new ATOM 0 HD23 LEU A 92 5.191 -2.806 17.748 1.00 53.34 H new ATOM 1493 N SER A 93 2.093 -3.109 14.116 1.00 35.51 N ATOM 1494 CA SER A 93 1.601 -4.314 13.457 1.00 42.34 C ATOM 1495 C SER A 93 2.373 -4.581 12.168 1.00 3.02 C ATOM 1496 O SER A 93 2.843 -5.695 11.932 1.00 41.41 O ATOM 1497 CB SER A 93 0.108 -4.180 13.151 1.00 30.34 C ATOM 1498 OG SER A 93 -0.125 -3.184 12.171 1.00 12.34 O ATOM 0 H SER A 93 1.401 -2.366 14.208 1.00 35.51 H new ATOM 0 HA SER A 93 1.752 -5.156 14.133 1.00 42.34 H new ATOM 0 HB2 SER A 93 -0.282 -5.136 12.802 1.00 30.34 H new ATOM 0 HB3 SER A 93 -0.432 -3.930 14.064 1.00 30.34 H new ATOM 0 HG SER A 93 -0.095 -2.299 12.590 1.00 12.34 H new ATOM 1504 N HIS A 94 2.500 -3.551 11.337 1.00 25.14 N ATOM 1505 CA HIS A 94 3.216 -3.673 10.072 1.00 20.33 C ATOM 1506 C HIS A 94 4.718 -3.803 10.308 1.00 51.31 C ATOM 1507 O HIS A 94 5.494 -3.945 9.362 1.00 10.44 O ATOM 1508 CB HIS A 94 2.930 -2.464 9.181 1.00 21.05 C ATOM 1509 CG HIS A 94 2.305 -2.822 7.869 1.00 54.25 C ATOM 1510 ND1 HIS A 94 1.092 -2.316 7.450 1.00 71.11 N ATOM 1511 CD2 HIS A 94 2.732 -3.639 6.878 1.00 73.31 C ATOM 1512 CE1 HIS A 94 0.799 -2.808 6.259 1.00 24.45 C ATOM 1513 NE2 HIS A 94 1.779 -3.614 5.890 1.00 53.14 N ATOM 0 H HIS A 94 2.117 -2.623 11.517 1.00 25.14 H new ATOM 0 HA HIS A 94 2.866 -4.575 9.570 1.00 20.33 H new ATOM 0 HB2 HIS A 94 2.270 -1.779 9.713 1.00 21.05 H new ATOM 0 HB3 HIS A 94 3.862 -1.930 8.996 1.00 21.05 H new ATOM 0 HD2 HIS A 94 3.652 -4.205 6.867 1.00 73.31 H new ATOM 0 HE1 HIS A 94 -0.089 -2.589 5.685 1.00 24.45 H new ATOM 0 HE2 HIS A 94 1.821 -4.133 5.013 1.00 53.14 H new ATOM 1521 N ILE A 95 5.120 -3.752 11.573 1.00 32.23 N ATOM 1522 CA ILE A 95 6.528 -3.864 11.932 1.00 62.10 C ATOM 1523 C ILE A 95 6.848 -5.252 12.476 1.00 64.35 C ATOM 1524 O ILE A 95 7.957 -5.759 12.299 1.00 1.31 O ATOM 1525 CB ILE A 95 6.927 -2.810 12.981 1.00 4.41 C ATOM 1526 CG1 ILE A 95 6.808 -1.402 12.393 1.00 64.35 C ATOM 1527 CG2 ILE A 95 8.343 -3.065 13.476 1.00 3.41 C ATOM 1528 CD1 ILE A 95 6.653 -0.321 13.439 1.00 44.12 C ATOM 0 H ILE A 95 4.490 -3.634 12.367 1.00 32.23 H new ATOM 0 HA ILE A 95 7.100 -3.693 11.020 1.00 62.10 H new ATOM 0 HB ILE A 95 6.247 -2.888 13.829 1.00 4.41 H new ATOM 0 HG12 ILE A 95 7.694 -1.192 11.793 1.00 64.35 H new ATOM 0 HG13 ILE A 95 5.952 -1.370 11.719 1.00 64.35 H new ATOM 0 HG21 ILE A 95 8.611 -2.312 14.217 1.00 3.41 H new ATOM 0 HG22 ILE A 95 8.397 -4.055 13.929 1.00 3.41 H new ATOM 0 HG23 ILE A 95 9.037 -3.011 12.637 1.00 3.41 H new ATOM 0 HD11 ILE A 95 6.575 0.650 12.950 1.00 44.12 H new ATOM 0 HD12 ILE A 95 5.752 -0.507 14.023 1.00 44.12 H new ATOM 0 HD13 ILE A 95 7.521 -0.326 14.099 1.00 44.12 H new