USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.23 USER MOD Single : A 24 MET CE :methyl 170:sc= -0.392 (180deg=-0.639) USER MOD Single : A 34 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.68 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 165:sc= 0 (180deg=-0.402) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.85! C(o=-1.9!,f=-2!) USER MOD Single : A 73 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.121 X(o=-0.12,f=-0.35) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 11 7.855 16.544 -11.427 1.00 12.31 N ATOM 146 CA TYR A 11 8.855 17.534 -11.807 1.00 44.32 C ATOM 147 C TYR A 11 9.913 17.687 -10.718 1.00 35.22 C ATOM 148 O TYR A 11 9.591 17.934 -9.556 1.00 10.45 O ATOM 149 CB TYR A 11 8.190 18.884 -12.080 1.00 13.32 C ATOM 150 CG TYR A 11 7.588 18.994 -13.462 1.00 53.35 C ATOM 151 CD1 TYR A 11 8.379 19.300 -14.563 1.00 55.14 C ATOM 152 CD2 TYR A 11 6.228 18.793 -13.668 1.00 4.50 C ATOM 153 CE1 TYR A 11 7.833 19.402 -15.828 1.00 51.34 C ATOM 154 CE2 TYR A 11 5.675 18.892 -14.930 1.00 15.24 C ATOM 155 CZ TYR A 11 6.481 19.197 -16.006 1.00 53.15 C ATOM 156 OH TYR A 11 5.932 19.298 -17.265 1.00 24.24 O ATOM 0 HA TYR A 11 9.344 17.187 -12.717 1.00 44.32 H new ATOM 0 HB2 TYR A 11 7.409 19.051 -11.338 1.00 13.32 H new ATOM 0 HB3 TYR A 11 8.928 19.676 -11.950 1.00 13.32 H new ATOM 0 HD1 TYR A 11 9.438 19.461 -14.427 1.00 55.14 H new ATOM 0 HD2 TYR A 11 5.593 18.555 -12.827 1.00 4.50 H new ATOM 0 HE1 TYR A 11 8.462 19.641 -16.673 1.00 51.34 H new ATOM 0 HE2 TYR A 11 4.617 18.731 -15.073 1.00 15.24 H new ATOM 0 HH TYR A 11 4.969 19.124 -17.217 1.00 24.24 H new ATOM 166 N ARG A 12 11.176 17.537 -11.103 1.00 54.42 N ATOM 167 CA ARG A 12 12.281 17.658 -10.161 1.00 23.44 C ATOM 168 C ARG A 12 12.435 19.099 -9.684 1.00 62.00 C ATOM 169 O ARG A 12 12.605 19.353 -8.492 1.00 41.42 O ATOM 170 CB ARG A 12 13.584 17.181 -10.806 1.00 33.21 C ATOM 171 CG ARG A 12 13.914 17.891 -12.109 1.00 12.15 C ATOM 172 CD ARG A 12 14.570 16.949 -13.106 1.00 0.31 C ATOM 173 NE ARG A 12 13.701 16.666 -14.245 1.00 11.20 N ATOM 174 CZ ARG A 12 13.863 15.623 -15.052 1.00 0.53 C ATOM 175 NH1 ARG A 12 14.856 14.769 -14.845 1.00 52.32 N ATOM 176 NH2 ARG A 12 13.031 15.433 -16.067 1.00 54.24 N ATOM 0 H ARG A 12 11.459 17.331 -12.061 1.00 54.42 H new ATOM 0 HA ARG A 12 12.059 17.030 -9.298 1.00 23.44 H new ATOM 0 HB2 ARG A 12 14.403 17.330 -10.103 1.00 33.21 H new ATOM 0 HB3 ARG A 12 13.516 16.109 -10.993 1.00 33.21 H new ATOM 0 HG2 ARG A 12 13.002 18.303 -12.541 1.00 12.15 H new ATOM 0 HG3 ARG A 12 14.579 18.731 -11.909 1.00 12.15 H new ATOM 0 HD2 ARG A 12 15.502 17.389 -13.461 1.00 0.31 H new ATOM 0 HD3 ARG A 12 14.829 16.015 -12.607 1.00 0.31 H new ATOM 0 HE ARG A 12 12.927 17.304 -14.431 1.00 11.20 H new ATOM 0 HH11 ARG A 12 15.497 14.912 -14.065 1.00 52.32 H new ATOM 0 HH12 ARG A 12 14.978 13.969 -15.466 1.00 52.32 H new ATOM 0 HH21 ARG A 12 12.266 16.088 -16.229 1.00 54.24 H new ATOM 0 HH22 ARG A 12 13.156 14.632 -16.686 1.00 54.24 H new ATOM 190 N GLU A 13 12.375 20.037 -10.624 1.00 11.32 N ATOM 191 CA GLU A 13 12.509 21.453 -10.299 1.00 61.50 C ATOM 192 C GLU A 13 11.434 21.887 -9.307 1.00 3.32 C ATOM 193 O GLU A 13 11.696 22.676 -8.398 1.00 42.24 O ATOM 194 CB GLU A 13 12.419 22.301 -11.569 1.00 62.23 C ATOM 195 CG GLU A 13 11.268 21.912 -12.481 1.00 33.41 C ATOM 196 CD GLU A 13 11.034 22.920 -13.589 1.00 11.43 C ATOM 197 OE1 GLU A 13 10.556 24.034 -13.285 1.00 60.31 O ATOM 198 OE2 GLU A 13 11.328 22.597 -14.758 1.00 43.12 O ATOM 0 H GLU A 13 12.235 19.843 -11.615 1.00 11.32 H new ATOM 0 HA GLU A 13 13.486 21.603 -9.839 1.00 61.50 H new ATOM 0 HB2 GLU A 13 12.311 23.349 -11.289 1.00 62.23 H new ATOM 0 HB3 GLU A 13 13.355 22.213 -12.121 1.00 62.23 H new ATOM 0 HG2 GLU A 13 11.472 20.936 -12.921 1.00 33.41 H new ATOM 0 HG3 GLU A 13 10.358 21.811 -11.889 1.00 33.41 H new ATOM 205 N ILE A 14 10.225 21.368 -9.488 1.00 70.43 N ATOM 206 CA ILE A 14 9.111 21.701 -8.610 1.00 11.34 C ATOM 207 C ILE A 14 9.438 21.371 -7.157 1.00 62.33 C ATOM 208 O ILE A 14 8.845 21.928 -6.235 1.00 10.44 O ATOM 209 CB ILE A 14 7.828 20.953 -9.018 1.00 41.31 C ATOM 210 CG1 ILE A 14 7.339 21.443 -10.383 1.00 31.23 C ATOM 211 CG2 ILE A 14 6.747 21.140 -7.964 1.00 5.34 C ATOM 212 CD1 ILE A 14 6.980 22.912 -10.405 1.00 11.15 C ATOM 0 H ILE A 14 9.992 20.714 -10.236 1.00 70.43 H new ATOM 0 HA ILE A 14 8.943 22.773 -8.708 1.00 11.34 H new ATOM 0 HB ILE A 14 8.054 19.889 -9.093 1.00 41.31 H new ATOM 0 HG12 ILE A 14 8.114 21.256 -11.126 1.00 31.23 H new ATOM 0 HG13 ILE A 14 6.467 20.860 -10.678 1.00 31.23 H new ATOM 0 HG21 ILE A 14 5.847 20.605 -8.267 1.00 5.34 H new ATOM 0 HG22 ILE A 14 7.098 20.748 -7.009 1.00 5.34 H new ATOM 0 HG23 ILE A 14 6.521 22.201 -7.859 1.00 5.34 H new ATOM 0 HD11 ILE A 14 6.642 23.189 -11.404 1.00 11.15 H new ATOM 0 HD12 ILE A 14 6.183 23.103 -9.686 1.00 11.15 H new ATOM 0 HD13 ILE A 14 7.856 23.505 -10.141 1.00 11.15 H new ATOM 224 N MET A 15 10.387 20.461 -6.963 1.00 4.23 N ATOM 225 CA MET A 15 10.796 20.059 -5.622 1.00 21.50 C ATOM 226 C MET A 15 11.117 21.277 -4.763 1.00 1.15 C ATOM 227 O MET A 15 11.016 21.227 -3.537 1.00 54.13 O ATOM 228 CB MET A 15 12.014 19.135 -5.693 1.00 35.34 C ATOM 229 CG MET A 15 13.334 19.878 -5.809 1.00 64.01 C ATOM 230 SD MET A 15 14.711 18.788 -6.219 1.00 71.11 S ATOM 231 CE MET A 15 15.861 19.186 -4.905 1.00 42.22 C ATOM 0 H MET A 15 10.887 19.989 -7.716 1.00 4.23 H new ATOM 0 HA MET A 15 9.967 19.521 -5.162 1.00 21.50 H new ATOM 0 HB2 MET A 15 12.037 18.508 -4.802 1.00 35.34 H new ATOM 0 HB3 MET A 15 11.905 18.469 -6.549 1.00 35.34 H new ATOM 0 HG2 MET A 15 13.246 20.650 -6.574 1.00 64.01 H new ATOM 0 HG3 MET A 15 13.545 20.385 -4.868 1.00 64.01 H new ATOM 0 HE1 MET A 15 16.766 18.590 -5.021 1.00 42.22 H new ATOM 0 HE2 MET A 15 16.115 20.245 -4.952 1.00 42.22 H new ATOM 0 HE3 MET A 15 15.403 18.965 -3.941 1.00 42.22 H new ATOM 241 N GLU A 16 11.505 22.370 -5.413 1.00 73.55 N ATOM 242 CA GLU A 16 11.841 23.600 -4.707 1.00 24.11 C ATOM 243 C GLU A 16 10.693 24.041 -3.805 1.00 35.14 C ATOM 244 O GLU A 16 10.875 24.247 -2.604 1.00 11.01 O ATOM 245 CB GLU A 16 12.177 24.711 -5.704 1.00 11.22 C ATOM 246 CG GLU A 16 13.547 24.561 -6.344 1.00 54.22 C ATOM 247 CD GLU A 16 14.652 24.380 -5.322 1.00 11.20 C ATOM 248 OE1 GLU A 16 14.726 25.193 -4.377 1.00 41.22 O ATOM 249 OE2 GLU A 16 15.443 23.424 -5.467 1.00 53.43 O ATOM 0 H GLU A 16 11.594 22.428 -6.427 1.00 73.55 H new ATOM 0 HA GLU A 16 12.714 23.404 -4.084 1.00 24.11 H new ATOM 0 HB2 GLU A 16 11.419 24.726 -6.487 1.00 11.22 H new ATOM 0 HB3 GLU A 16 12.127 25.673 -5.194 1.00 11.22 H new ATOM 0 HG2 GLU A 16 13.537 23.705 -7.018 1.00 54.22 H new ATOM 0 HG3 GLU A 16 13.759 25.442 -6.950 1.00 54.22 H new ATOM 256 N LEU A 17 9.509 24.184 -4.391 1.00 2.20 N ATOM 257 CA LEU A 17 8.329 24.601 -3.641 1.00 43.33 C ATOM 258 C LEU A 17 7.678 23.411 -2.944 1.00 41.13 C ATOM 259 O LEU A 17 7.350 23.476 -1.759 1.00 1.50 O ATOM 260 CB LEU A 17 7.321 25.276 -4.573 1.00 72.41 C ATOM 261 CG LEU A 17 6.378 26.288 -3.922 1.00 11.02 C ATOM 262 CD1 LEU A 17 6.813 27.709 -4.247 1.00 22.54 C ATOM 263 CD2 LEU A 17 4.945 26.051 -4.375 1.00 72.52 C ATOM 0 H LEU A 17 9.341 24.017 -5.383 1.00 2.20 H new ATOM 0 HA LEU A 17 8.645 25.315 -2.880 1.00 43.33 H new ATOM 0 HB2 LEU A 17 7.872 25.781 -5.366 1.00 72.41 H new ATOM 0 HB3 LEU A 17 6.719 24.501 -5.047 1.00 72.41 H new ATOM 0 HG LEU A 17 6.423 26.154 -2.841 1.00 11.02 H new ATOM 0 HD11 LEU A 17 6.130 28.415 -3.775 1.00 22.54 H new ATOM 0 HD12 LEU A 17 7.823 27.875 -3.872 1.00 22.54 H new ATOM 0 HD13 LEU A 17 6.798 27.856 -5.327 1.00 22.54 H new ATOM 0 HD21 LEU A 17 4.288 26.781 -3.901 1.00 72.52 H new ATOM 0 HD22 LEU A 17 4.884 26.157 -5.458 1.00 72.52 H new ATOM 0 HD23 LEU A 17 4.635 25.045 -4.091 1.00 72.52 H new ATOM 275 N CYS A 18 7.496 22.325 -3.687 1.00 31.23 N ATOM 276 CA CYS A 18 6.885 21.118 -3.140 1.00 1.44 C ATOM 277 C CYS A 18 7.515 20.750 -1.800 1.00 74.32 C ATOM 278 O CYS A 18 6.828 20.300 -0.882 1.00 61.05 O ATOM 279 CB CYS A 18 7.032 19.956 -4.123 1.00 0.40 C ATOM 280 SG CYS A 18 6.445 18.370 -3.484 1.00 70.02 S ATOM 0 H CYS A 18 7.762 22.255 -4.669 1.00 31.23 H new ATOM 0 HA CYS A 18 5.825 21.317 -2.981 1.00 1.44 H new ATOM 0 HB2 CYS A 18 6.484 20.194 -5.035 1.00 0.40 H new ATOM 0 HB3 CYS A 18 8.082 19.858 -4.399 1.00 0.40 H new ATOM 0 HG CYS A 18 6.609 17.450 -4.388 1.00 70.02 H new ATOM 286 N PHE A 19 8.825 20.942 -1.696 1.00 24.34 N ATOM 287 CA PHE A 19 9.549 20.627 -0.469 1.00 74.10 C ATOM 288 C PHE A 19 8.915 21.325 0.731 1.00 53.04 C ATOM 289 O PHE A 19 8.759 20.731 1.798 1.00 52.33 O ATOM 290 CB PHE A 19 11.016 21.040 -0.597 1.00 3.20 C ATOM 291 CG PHE A 19 11.823 20.778 0.642 1.00 22.34 C ATOM 292 CD1 PHE A 19 11.838 21.693 1.682 1.00 4.40 C ATOM 293 CD2 PHE A 19 12.567 19.615 0.768 1.00 51.35 C ATOM 294 CE1 PHE A 19 12.580 21.455 2.824 1.00 34.21 C ATOM 295 CE2 PHE A 19 13.309 19.371 1.907 1.00 5.12 C ATOM 296 CZ PHE A 19 13.317 20.292 2.936 1.00 11.42 C ATOM 0 H PHE A 19 9.408 21.314 -2.446 1.00 24.34 H new ATOM 0 HA PHE A 19 9.495 19.550 -0.311 1.00 74.10 H new ATOM 0 HB2 PHE A 19 11.464 20.504 -1.433 1.00 3.20 H new ATOM 0 HB3 PHE A 19 11.067 22.102 -0.836 1.00 3.20 H new ATOM 0 HD1 PHE A 19 11.263 22.603 1.600 1.00 4.40 H new ATOM 0 HD2 PHE A 19 12.566 18.891 -0.034 1.00 51.35 H new ATOM 0 HE1 PHE A 19 12.583 22.177 3.627 1.00 34.21 H new ATOM 0 HE2 PHE A 19 13.883 18.460 1.993 1.00 5.12 H new ATOM 0 HZ PHE A 19 13.898 20.103 3.826 1.00 11.42 H new ATOM 306 N VAL A 20 8.551 22.590 0.547 1.00 4.54 N ATOM 307 CA VAL A 20 7.934 23.371 1.613 1.00 30.42 C ATOM 308 C VAL A 20 6.475 22.974 1.810 1.00 40.31 C ATOM 309 O VAL A 20 5.998 22.867 2.940 1.00 55.02 O ATOM 310 CB VAL A 20 8.009 24.881 1.319 1.00 22.33 C ATOM 311 CG1 VAL A 20 7.216 25.666 2.352 1.00 10.15 C ATOM 312 CG2 VAL A 20 9.458 25.344 1.282 1.00 54.21 C ATOM 0 H VAL A 20 8.673 23.096 -0.330 1.00 4.54 H new ATOM 0 HA VAL A 20 8.492 23.159 2.525 1.00 30.42 H new ATOM 0 HB VAL A 20 7.567 25.066 0.340 1.00 22.33 H new ATOM 0 HG11 VAL A 20 7.281 26.731 2.128 1.00 10.15 H new ATOM 0 HG12 VAL A 20 6.173 25.352 2.325 1.00 10.15 H new ATOM 0 HG13 VAL A 20 7.626 25.479 3.345 1.00 10.15 H new ATOM 0 HG21 VAL A 20 9.493 26.413 1.073 1.00 54.21 H new ATOM 0 HG22 VAL A 20 9.928 25.147 2.246 1.00 54.21 H new ATOM 0 HG23 VAL A 20 9.993 24.804 0.501 1.00 54.21 H new ATOM 322 N ILE A 21 5.772 22.758 0.703 1.00 23.33 N ATOM 323 CA ILE A 21 4.368 22.371 0.754 1.00 13.53 C ATOM 324 C ILE A 21 4.193 21.024 1.446 1.00 31.22 C ATOM 325 O ILE A 21 3.165 20.765 2.072 1.00 72.41 O ATOM 326 CB ILE A 21 3.753 22.295 -0.656 1.00 2.41 C ATOM 327 CG1 ILE A 21 4.065 23.571 -1.441 1.00 55.11 C ATOM 328 CG2 ILE A 21 2.250 22.075 -0.568 1.00 25.34 C ATOM 329 CD1 ILE A 21 3.613 24.835 -0.744 1.00 3.23 C ATOM 0 H ILE A 21 6.152 22.845 -0.240 1.00 23.33 H new ATOM 0 HA ILE A 21 3.850 23.140 1.326 1.00 13.53 H new ATOM 0 HB ILE A 21 4.194 21.449 -1.183 1.00 2.41 H new ATOM 0 HG12 ILE A 21 5.139 23.627 -1.616 1.00 55.11 H new ATOM 0 HG13 ILE A 21 3.585 23.513 -2.418 1.00 55.11 H new ATOM 0 HG21 ILE A 21 1.830 22.024 -1.573 1.00 25.34 H new ATOM 0 HG22 ILE A 21 2.049 21.141 -0.043 1.00 25.34 H new ATOM 0 HG23 ILE A 21 1.792 22.902 -0.026 1.00 25.34 H new ATOM 0 HD11 ILE A 21 3.867 25.699 -1.358 1.00 3.23 H new ATOM 0 HD12 ILE A 21 2.534 24.801 -0.593 1.00 3.23 H new ATOM 0 HD13 ILE A 21 4.112 24.916 0.222 1.00 3.23 H new ATOM 341 N ARG A 22 5.205 20.170 1.331 1.00 73.14 N ATOM 342 CA ARG A 22 5.163 18.849 1.946 1.00 64.34 C ATOM 343 C ARG A 22 5.280 18.952 3.464 1.00 65.35 C ATOM 344 O ARG A 22 4.850 18.058 4.193 1.00 73.20 O ATOM 345 CB ARG A 22 6.289 17.971 1.395 1.00 52.01 C ATOM 346 CG ARG A 22 6.459 16.659 2.143 1.00 63.22 C ATOM 347 CD ARG A 22 7.483 16.783 3.260 1.00 1.42 C ATOM 348 NE ARG A 22 8.742 16.122 2.926 1.00 54.12 N ATOM 349 CZ ARG A 22 9.728 15.937 3.796 1.00 62.33 C ATOM 350 NH1 ARG A 22 9.603 16.360 5.046 1.00 55.12 N ATOM 351 NH2 ARG A 22 10.843 15.326 3.416 1.00 43.12 N ATOM 0 H ARG A 22 6.064 20.369 0.818 1.00 73.14 H new ATOM 0 HA ARG A 22 4.203 18.393 1.703 1.00 64.34 H new ATOM 0 HB2 ARG A 22 6.091 17.758 0.345 1.00 52.01 H new ATOM 0 HB3 ARG A 22 7.225 18.527 1.436 1.00 52.01 H new ATOM 0 HG2 ARG A 22 5.500 16.350 2.559 1.00 63.22 H new ATOM 0 HG3 ARG A 22 6.771 15.880 1.447 1.00 63.22 H new ATOM 0 HD2 ARG A 22 7.670 17.837 3.464 1.00 1.42 H new ATOM 0 HD3 ARG A 22 7.077 16.349 4.174 1.00 1.42 H new ATOM 0 HE ARG A 22 8.871 15.784 1.972 1.00 54.12 H new ATOM 0 HH11 ARG A 22 8.747 16.829 5.342 1.00 55.12 H new ATOM 0 HH12 ARG A 22 10.363 16.216 5.711 1.00 55.12 H new ATOM 0 HH21 ARG A 22 10.943 14.998 2.455 1.00 43.12 H new ATOM 0 HH22 ARG A 22 11.600 15.184 4.085 1.00 43.12 H new ATOM 365 N THR A 23 5.867 20.048 3.934 1.00 41.22 N ATOM 366 CA THR A 23 6.043 20.268 5.364 1.00 73.42 C ATOM 367 C THR A 23 4.734 20.691 6.020 1.00 54.31 C ATOM 368 O THR A 23 4.551 20.526 7.226 1.00 71.14 O ATOM 369 CB THR A 23 7.113 21.340 5.640 1.00 10.43 C ATOM 370 OG1 THR A 23 6.558 22.647 5.451 1.00 73.41 O ATOM 371 CG2 THR A 23 8.313 21.156 4.724 1.00 41.22 C ATOM 0 H THR A 23 6.229 20.798 3.345 1.00 41.22 H new ATOM 0 HA THR A 23 6.371 19.320 5.792 1.00 73.42 H new ATOM 0 HB THR A 23 7.445 21.232 6.673 1.00 10.43 H new ATOM 0 HG1 THR A 23 6.656 22.911 4.512 1.00 73.41 H new ATOM 0 HG21 THR A 23 9.055 21.925 4.938 1.00 41.22 H new ATOM 0 HG22 THR A 23 8.751 20.172 4.892 1.00 41.22 H new ATOM 0 HG23 THR A 23 7.994 21.239 3.685 1.00 41.22 H new ATOM 379 N MET A 24 3.825 21.238 5.218 1.00 21.25 N ATOM 380 CA MET A 24 2.531 21.683 5.722 1.00 2.34 C ATOM 381 C MET A 24 1.479 20.591 5.559 1.00 53.44 C ATOM 382 O MET A 24 0.740 20.283 6.494 1.00 64.04 O ATOM 383 CB MET A 24 2.085 22.952 4.993 1.00 71.35 C ATOM 384 CG MET A 24 2.943 24.167 5.305 1.00 65.51 C ATOM 385 SD MET A 24 2.048 25.432 6.225 1.00 14.12 S ATOM 386 CE MET A 24 1.462 24.481 7.626 1.00 51.43 C ATOM 0 H MET A 24 3.961 21.383 4.218 1.00 21.25 H new ATOM 0 HA MET A 24 2.638 21.902 6.784 1.00 2.34 H new ATOM 0 HB2 MET A 24 2.105 22.770 3.919 1.00 71.35 H new ATOM 0 HB3 MET A 24 1.051 23.170 5.260 1.00 71.35 H new ATOM 0 HG2 MET A 24 3.814 23.853 5.880 1.00 65.51 H new ATOM 0 HG3 MET A 24 3.313 24.595 4.373 1.00 65.51 H new ATOM 0 HE1 MET A 24 1.044 25.155 8.374 1.00 51.43 H new ATOM 0 HE2 MET A 24 0.693 23.783 7.296 1.00 51.43 H new ATOM 0 HE3 MET A 24 2.293 23.926 8.062 1.00 51.43 H new ATOM 536 N ILE A 33 -0.632 17.374 -2.624 1.00 13.44 N ATOM 537 CA ILE A 33 -0.376 18.386 -1.606 1.00 41.33 C ATOM 538 C ILE A 33 -1.151 19.667 -1.897 1.00 74.20 C ATOM 539 O ILE A 33 -1.199 20.130 -3.036 1.00 63.43 O ATOM 540 CB ILE A 33 1.125 18.719 -1.509 1.00 14.21 C ATOM 541 CG1 ILE A 33 1.962 17.566 -2.065 1.00 23.23 C ATOM 542 CG2 ILE A 33 1.509 19.013 -0.067 1.00 3.53 C ATOM 543 CD1 ILE A 33 3.453 17.774 -1.914 1.00 11.10 C ATOM 0 HA ILE A 33 -0.710 17.970 -0.656 1.00 41.33 H new ATOM 0 HB ILE A 33 1.325 19.609 -2.106 1.00 14.21 H new ATOM 0 HG12 ILE A 33 1.679 16.644 -1.557 1.00 23.23 H new ATOM 0 HG13 ILE A 33 1.727 17.433 -3.121 1.00 23.23 H new ATOM 0 HG21 ILE A 33 2.572 19.247 -0.014 1.00 3.53 H new ATOM 0 HG22 ILE A 33 0.932 19.863 0.297 1.00 3.53 H new ATOM 0 HG23 ILE A 33 1.298 18.140 0.551 1.00 3.53 H new ATOM 0 HD11 ILE A 33 3.984 16.918 -2.330 1.00 11.10 H new ATOM 0 HD12 ILE A 33 3.750 18.678 -2.446 1.00 11.10 H new ATOM 0 HD13 ILE A 33 3.701 17.877 -0.858 1.00 11.10 H new ATOM 555 N GLN A 34 -1.756 20.235 -0.859 1.00 31.55 N ATOM 556 CA GLN A 34 -2.529 21.463 -1.003 1.00 24.32 C ATOM 557 C GLN A 34 -2.424 22.322 0.253 1.00 53.12 C ATOM 558 O GLN A 34 -2.455 21.811 1.372 1.00 31.52 O ATOM 559 CB GLN A 34 -3.995 21.137 -1.292 1.00 20.13 C ATOM 560 CG GLN A 34 -4.211 20.428 -2.619 1.00 64.00 C ATOM 561 CD GLN A 34 -4.255 18.920 -2.474 1.00 73.45 C ATOM 562 OE1 GLN A 34 -3.617 18.350 -1.589 1.00 43.00 O ATOM 563 NE2 GLN A 34 -5.012 18.263 -3.346 1.00 53.30 N ATOM 0 H GLN A 34 -1.726 19.865 0.091 1.00 31.55 H new ATOM 0 HA GLN A 34 -2.118 22.026 -1.841 1.00 24.32 H new ATOM 0 HB2 GLN A 34 -4.385 20.512 -0.488 1.00 20.13 H new ATOM 0 HB3 GLN A 34 -4.572 22.062 -1.286 1.00 20.13 H new ATOM 0 HG2 GLN A 34 -5.144 20.774 -3.064 1.00 64.00 H new ATOM 0 HG3 GLN A 34 -3.410 20.700 -3.307 1.00 64.00 H new ATOM 0 HE21 GLN A 34 -5.524 18.775 -4.064 1.00 53.30 H new ATOM 0 HE22 GLN A 34 -5.081 17.246 -3.297 1.00 53.30 H new ATOM 572 N VAL A 35 -2.300 23.631 0.059 1.00 11.43 N ATOM 573 CA VAL A 35 -2.192 24.562 1.176 1.00 2.42 C ATOM 574 C VAL A 35 -2.642 25.961 0.771 1.00 15.31 C ATOM 575 O VAL A 35 -2.530 26.350 -0.392 1.00 74.01 O ATOM 576 CB VAL A 35 -0.749 24.634 1.709 1.00 5.11 C ATOM 577 CG1 VAL A 35 -0.446 23.435 2.595 1.00 61.14 C ATOM 578 CG2 VAL A 35 0.241 24.720 0.557 1.00 71.52 C ATOM 0 H VAL A 35 -2.272 24.071 -0.861 1.00 11.43 H new ATOM 0 HA VAL A 35 -2.845 24.187 1.964 1.00 2.42 H new ATOM 0 HB VAL A 35 -0.648 25.536 2.313 1.00 5.11 H new ATOM 0 HG11 VAL A 35 0.578 23.503 2.962 1.00 61.14 H new ATOM 0 HG12 VAL A 35 -1.134 23.424 3.440 1.00 61.14 H new ATOM 0 HG13 VAL A 35 -0.564 22.517 2.019 1.00 61.14 H new ATOM 0 HG21 VAL A 35 1.256 24.770 0.952 1.00 71.52 H new ATOM 0 HG22 VAL A 35 0.141 23.838 -0.075 1.00 71.52 H new ATOM 0 HG23 VAL A 35 0.037 25.614 -0.032 1.00 71.52 H new ATOM 588 N THR A 36 -3.153 26.716 1.739 1.00 11.21 N ATOM 589 CA THR A 36 -3.622 28.072 1.484 1.00 3.40 C ATOM 590 C THR A 36 -2.476 29.075 1.566 1.00 20.45 C ATOM 591 O THR A 36 -1.468 28.827 2.229 1.00 12.51 O ATOM 592 CB THR A 36 -4.721 28.484 2.481 1.00 32.22 C ATOM 593 OG1 THR A 36 -4.317 28.162 3.817 1.00 60.44 O ATOM 594 CG2 THR A 36 -6.033 27.783 2.160 1.00 43.10 C ATOM 0 H THR A 36 -3.252 26.411 2.707 1.00 11.21 H new ATOM 0 HA THR A 36 -4.036 28.078 0.476 1.00 3.40 H new ATOM 0 HB THR A 36 -4.872 29.560 2.397 1.00 32.22 H new ATOM 0 HG1 THR A 36 -5.021 28.429 4.445 1.00 60.44 H new ATOM 0 HG21 THR A 36 -6.794 28.089 2.877 1.00 43.10 H new ATOM 0 HG22 THR A 36 -6.353 28.053 1.154 1.00 43.10 H new ATOM 0 HG23 THR A 36 -5.893 26.704 2.219 1.00 43.10 H new ATOM 602 N PHE A 37 -2.637 30.207 0.890 1.00 1.11 N ATOM 603 CA PHE A 37 -1.615 31.247 0.887 1.00 40.51 C ATOM 604 C PHE A 37 -1.203 31.610 2.311 1.00 73.22 C ATOM 605 O PHE A 37 -0.017 31.663 2.631 1.00 24.21 O ATOM 606 CB PHE A 37 -2.127 32.492 0.160 1.00 42.55 C ATOM 607 CG PHE A 37 -1.321 33.727 0.445 1.00 0.42 C ATOM 608 CD1 PHE A 37 0.063 33.694 0.396 1.00 43.12 C ATOM 609 CD2 PHE A 37 -1.948 34.921 0.764 1.00 42.44 C ATOM 610 CE1 PHE A 37 0.808 34.829 0.658 1.00 71.23 C ATOM 611 CE2 PHE A 37 -1.208 36.059 1.026 1.00 15.21 C ATOM 612 CZ PHE A 37 0.171 36.013 0.974 1.00 20.43 C ATOM 0 H PHE A 37 -3.465 30.428 0.337 1.00 1.11 H new ATOM 0 HA PHE A 37 -0.741 30.861 0.362 1.00 40.51 H new ATOM 0 HB2 PHE A 37 -2.121 32.304 -0.914 1.00 42.55 H new ATOM 0 HB3 PHE A 37 -3.163 32.670 0.447 1.00 42.55 H new ATOM 0 HD1 PHE A 37 0.566 32.771 0.150 1.00 43.12 H new ATOM 0 HD2 PHE A 37 -3.026 34.963 0.808 1.00 42.44 H new ATOM 0 HE1 PHE A 37 1.886 34.790 0.616 1.00 71.23 H new ATOM 0 HE2 PHE A 37 -1.709 36.984 1.271 1.00 15.21 H new ATOM 0 HZ PHE A 37 0.750 36.901 1.180 1.00 20.43 H new ATOM 622 N GLY A 38 -2.194 31.859 3.162 1.00 50.12 N ATOM 623 CA GLY A 38 -1.916 32.214 4.541 1.00 5.11 C ATOM 624 C GLY A 38 -0.983 31.228 5.217 1.00 41.35 C ATOM 625 O GLY A 38 -0.020 31.625 5.872 1.00 62.04 O ATOM 0 H GLY A 38 -3.184 31.821 2.921 1.00 50.12 H new ATOM 0 HA2 GLY A 38 -1.474 33.210 4.575 1.00 5.11 H new ATOM 0 HA3 GLY A 38 -2.853 32.263 5.096 1.00 5.11 H new ATOM 629 N GLU A 39 -1.270 29.940 5.058 1.00 13.11 N ATOM 630 CA GLU A 39 -0.451 28.895 5.661 1.00 45.55 C ATOM 631 C GLU A 39 0.946 28.878 5.046 1.00 22.12 C ATOM 632 O GLU A 39 1.951 28.900 5.759 1.00 53.12 O ATOM 633 CB GLU A 39 -1.115 27.529 5.483 1.00 70.32 C ATOM 634 CG GLU A 39 -1.927 27.086 6.688 1.00 73.50 C ATOM 635 CD GLU A 39 -2.252 25.605 6.660 1.00 73.31 C ATOM 636 OE1 GLU A 39 -3.222 25.224 5.971 1.00 31.32 O ATOM 637 OE2 GLU A 39 -1.538 24.827 7.326 1.00 2.13 O ATOM 0 H GLU A 39 -2.063 29.595 4.517 1.00 13.11 H new ATOM 0 HA GLU A 39 -0.359 29.109 6.726 1.00 45.55 H new ATOM 0 HB2 GLU A 39 -1.766 27.562 4.609 1.00 70.32 H new ATOM 0 HB3 GLU A 39 -0.346 26.784 5.280 1.00 70.32 H new ATOM 0 HG2 GLU A 39 -1.374 27.316 7.599 1.00 73.50 H new ATOM 0 HG3 GLU A 39 -2.855 27.657 6.726 1.00 73.50 H new ATOM 644 N LEU A 40 1.002 28.837 3.720 1.00 50.34 N ATOM 645 CA LEU A 40 2.275 28.816 3.008 1.00 40.15 C ATOM 646 C LEU A 40 3.159 29.982 3.438 1.00 23.12 C ATOM 647 O LEU A 40 4.327 29.795 3.782 1.00 51.45 O ATOM 648 CB LEU A 40 2.038 28.871 1.497 1.00 2.53 C ATOM 649 CG LEU A 40 2.547 27.674 0.694 1.00 50.22 C ATOM 650 CD1 LEU A 40 2.195 27.830 -0.777 1.00 52.24 C ATOM 651 CD2 LEU A 40 4.050 27.513 0.870 1.00 11.31 C ATOM 0 H LEU A 40 0.181 28.818 3.116 1.00 50.34 H new ATOM 0 HA LEU A 40 2.786 27.886 3.256 1.00 40.15 H new ATOM 0 HB2 LEU A 40 0.967 28.972 1.321 1.00 2.53 H new ATOM 0 HB3 LEU A 40 2.512 29.772 1.108 1.00 2.53 H new ATOM 0 HG LEU A 40 2.059 26.775 1.070 1.00 50.22 H new ATOM 0 HD11 LEU A 40 2.565 26.969 -1.333 1.00 52.24 H new ATOM 0 HD12 LEU A 40 1.113 27.895 -0.887 1.00 52.24 H new ATOM 0 HD13 LEU A 40 2.655 28.738 -1.167 1.00 52.24 H new ATOM 0 HD21 LEU A 40 4.394 26.656 0.291 1.00 11.31 H new ATOM 0 HD22 LEU A 40 4.556 28.413 0.521 1.00 11.31 H new ATOM 0 HD23 LEU A 40 4.278 27.354 1.924 1.00 11.31 H new ATOM 663 N PHE A 41 2.594 31.185 3.420 1.00 64.43 N ATOM 664 CA PHE A 41 3.331 32.381 3.809 1.00 10.35 C ATOM 665 C PHE A 41 3.829 32.269 5.247 1.00 2.04 C ATOM 666 O PHE A 41 5.011 32.476 5.524 1.00 31.42 O ATOM 667 CB PHE A 41 2.447 33.621 3.659 1.00 3.34 C ATOM 668 CG PHE A 41 3.212 34.913 3.714 1.00 22.23 C ATOM 669 CD1 PHE A 41 3.746 35.467 2.562 1.00 61.40 C ATOM 670 CD2 PHE A 41 3.398 35.573 4.919 1.00 72.45 C ATOM 671 CE1 PHE A 41 4.450 36.655 2.609 1.00 43.11 C ATOM 672 CE2 PHE A 41 4.101 36.761 4.972 1.00 54.55 C ATOM 673 CZ PHE A 41 4.629 37.303 3.816 1.00 74.24 C ATOM 0 H PHE A 41 1.628 31.357 3.140 1.00 64.43 H new ATOM 0 HA PHE A 41 4.194 32.476 3.150 1.00 10.35 H new ATOM 0 HB2 PHE A 41 1.913 33.564 2.710 1.00 3.34 H new ATOM 0 HB3 PHE A 41 1.695 33.619 4.448 1.00 3.34 H new ATOM 0 HD1 PHE A 41 3.610 34.964 1.616 1.00 61.40 H new ATOM 0 HD2 PHE A 41 2.989 35.154 5.826 1.00 72.45 H new ATOM 0 HE1 PHE A 41 4.860 37.077 1.703 1.00 43.11 H new ATOM 0 HE2 PHE A 41 4.238 37.266 5.917 1.00 54.55 H new ATOM 0 HZ PHE A 41 5.180 38.231 3.856 1.00 74.24 H new ATOM 683 N ASP A 42 2.920 31.941 6.158 1.00 35.02 N ATOM 684 CA ASP A 42 3.265 31.800 7.568 1.00 42.50 C ATOM 685 C ASP A 42 4.354 30.749 7.758 1.00 2.23 C ATOM 686 O ASP A 42 5.021 30.712 8.793 1.00 50.25 O ATOM 687 CB ASP A 42 2.027 31.424 8.384 1.00 64.25 C ATOM 688 CG ASP A 42 1.455 32.603 9.145 1.00 11.10 C ATOM 689 OD1 ASP A 42 1.902 32.846 10.285 1.00 45.51 O ATOM 690 OD2 ASP A 42 0.559 33.282 8.601 1.00 14.34 O ATOM 0 H ASP A 42 1.938 31.768 5.945 1.00 35.02 H new ATOM 0 HA ASP A 42 3.645 32.759 7.921 1.00 42.50 H new ATOM 0 HB2 ASP A 42 1.265 31.021 7.717 1.00 64.25 H new ATOM 0 HB3 ASP A 42 2.286 30.632 9.087 1.00 64.25 H new ATOM 695 N ARG A 43 4.528 29.896 6.754 1.00 11.12 N ATOM 696 CA ARG A 43 5.534 28.843 6.812 1.00 22.31 C ATOM 697 C ARG A 43 6.837 29.299 6.162 1.00 71.04 C ATOM 698 O ARG A 43 7.925 28.927 6.601 1.00 44.04 O ATOM 699 CB ARG A 43 5.021 27.579 6.119 1.00 10.12 C ATOM 700 CG ARG A 43 6.111 26.562 5.821 1.00 11.52 C ATOM 701 CD ARG A 43 6.830 26.129 7.089 1.00 43.31 C ATOM 702 NE ARG A 43 7.979 25.274 6.801 1.00 11.35 N ATOM 703 CZ ARG A 43 8.696 24.667 7.740 1.00 3.22 C ATOM 704 NH1 ARG A 43 8.385 24.820 9.020 1.00 72.01 N ATOM 705 NH2 ARG A 43 9.728 23.905 7.400 1.00 74.14 N ATOM 0 H ARG A 43 3.985 29.914 5.891 1.00 11.12 H new ATOM 0 HA ARG A 43 5.730 28.620 7.861 1.00 22.31 H new ATOM 0 HB2 ARG A 43 4.263 27.112 6.748 1.00 10.12 H new ATOM 0 HB3 ARG A 43 4.533 27.859 5.186 1.00 10.12 H new ATOM 0 HG2 ARG A 43 5.674 25.691 5.334 1.00 11.52 H new ATOM 0 HG3 ARG A 43 6.829 26.991 5.122 1.00 11.52 H new ATOM 0 HD2 ARG A 43 7.162 27.011 7.637 1.00 43.31 H new ATOM 0 HD3 ARG A 43 6.134 25.595 7.736 1.00 43.31 H new ATOM 0 HE ARG A 43 8.245 25.136 5.826 1.00 11.35 H new ATOM 0 HH11 ARG A 43 7.593 25.405 9.286 1.00 72.01 H new ATOM 0 HH12 ARG A 43 8.938 24.352 9.739 1.00 72.01 H new ATOM 0 HH21 ARG A 43 9.971 23.785 6.417 1.00 74.14 H new ATOM 0 HH22 ARG A 43 10.278 23.439 8.122 1.00 74.14 H new ATOM 719 N TYR A 44 6.718 30.106 5.113 1.00 35.21 N ATOM 720 CA TYR A 44 7.885 30.610 4.400 1.00 0.42 C ATOM 721 C TYR A 44 8.527 31.769 5.157 1.00 13.30 C ATOM 722 O TYR A 44 9.725 32.020 5.032 1.00 45.22 O ATOM 723 CB TYR A 44 7.493 31.061 2.992 1.00 43.11 C ATOM 724 CG TYR A 44 8.009 30.152 1.900 1.00 60.43 C ATOM 725 CD1 TYR A 44 7.292 29.028 1.508 1.00 35.10 C ATOM 726 CD2 TYR A 44 9.214 30.415 1.260 1.00 11.11 C ATOM 727 CE1 TYR A 44 7.759 28.194 0.511 1.00 20.41 C ATOM 728 CE2 TYR A 44 9.688 29.587 0.261 1.00 3.22 C ATOM 729 CZ TYR A 44 8.958 28.478 -0.110 1.00 34.34 C ATOM 730 OH TYR A 44 9.427 27.650 -1.103 1.00 65.22 O ATOM 0 H TYR A 44 5.825 30.425 4.738 1.00 35.21 H new ATOM 0 HA TYR A 44 8.612 29.801 4.326 1.00 0.42 H new ATOM 0 HB2 TYR A 44 6.406 31.114 2.926 1.00 43.11 H new ATOM 0 HB3 TYR A 44 7.872 32.069 2.824 1.00 43.11 H new ATOM 0 HD1 TYR A 44 6.353 28.803 1.992 1.00 35.10 H new ATOM 0 HD2 TYR A 44 9.790 31.282 1.549 1.00 11.11 H new ATOM 0 HE1 TYR A 44 7.189 27.324 0.219 1.00 20.41 H new ATOM 0 HE2 TYR A 44 10.626 29.807 -0.227 1.00 3.22 H new ATOM 0 HH TYR A 44 10.283 27.992 -1.437 1.00 65.22 H new ATOM 740 N VAL A 45 7.719 32.473 5.944 1.00 20.01 N ATOM 741 CA VAL A 45 8.206 33.605 6.724 1.00 64.43 C ATOM 742 C VAL A 45 9.362 33.192 7.629 1.00 74.43 C ATOM 743 O VAL A 45 10.222 34.006 7.964 1.00 21.54 O ATOM 744 CB VAL A 45 7.086 34.216 7.586 1.00 23.01 C ATOM 745 CG1 VAL A 45 6.014 34.839 6.706 1.00 73.35 C ATOM 746 CG2 VAL A 45 6.487 33.163 8.506 1.00 64.42 C ATOM 0 H VAL A 45 6.724 32.279 6.058 1.00 20.01 H new ATOM 0 HA VAL A 45 8.555 34.353 6.012 1.00 64.43 H new ATOM 0 HB VAL A 45 7.517 35.003 8.205 1.00 23.01 H new ATOM 0 HG11 VAL A 45 5.231 35.266 7.333 1.00 73.35 H new ATOM 0 HG12 VAL A 45 6.457 35.625 6.094 1.00 73.35 H new ATOM 0 HG13 VAL A 45 5.584 34.074 6.059 1.00 73.35 H new ATOM 0 HG21 VAL A 45 5.697 33.612 9.108 1.00 64.42 H new ATOM 0 HG22 VAL A 45 6.071 32.352 7.908 1.00 64.42 H new ATOM 0 HG23 VAL A 45 7.263 32.769 9.162 1.00 64.42 H new ATOM 756 N ARG A 46 9.375 31.922 8.020 1.00 34.41 N ATOM 757 CA ARG A 46 10.424 31.400 8.887 1.00 2.13 C ATOM 758 C ARG A 46 11.586 30.852 8.065 1.00 65.42 C ATOM 759 O ARG A 46 12.477 30.188 8.596 1.00 31.44 O ATOM 760 CB ARG A 46 9.866 30.303 9.796 1.00 2.31 C ATOM 761 CG ARG A 46 9.405 30.812 11.152 1.00 55.11 C ATOM 762 CD ARG A 46 8.194 30.040 11.654 1.00 4.11 C ATOM 763 NE ARG A 46 7.640 30.624 12.873 1.00 72.25 N ATOM 764 CZ ARG A 46 6.664 30.063 13.578 1.00 23.32 C ATOM 765 NH1 ARG A 46 6.139 28.909 13.189 1.00 53.43 N ATOM 766 NH2 ARG A 46 6.213 30.655 14.676 1.00 11.04 N ATOM 0 H ARG A 46 8.671 31.235 7.750 1.00 34.41 H new ATOM 0 HA ARG A 46 10.792 32.220 9.503 1.00 2.13 H new ATOM 0 HB2 ARG A 46 9.028 29.819 9.295 1.00 2.31 H new ATOM 0 HB3 ARG A 46 10.632 29.541 9.944 1.00 2.31 H new ATOM 0 HG2 ARG A 46 10.219 30.723 11.871 1.00 55.11 H new ATOM 0 HG3 ARG A 46 9.158 31.871 11.080 1.00 55.11 H new ATOM 0 HD2 ARG A 46 7.428 30.024 10.879 1.00 4.11 H new ATOM 0 HD3 ARG A 46 8.477 29.005 11.844 1.00 4.11 H new ATOM 0 HE ARG A 46 8.023 31.511 13.201 1.00 72.25 H new ATOM 0 HH11 ARG A 46 6.485 28.450 12.346 1.00 53.43 H new ATOM 0 HH12 ARG A 46 5.390 28.481 13.732 1.00 53.43 H new ATOM 0 HH21 ARG A 46 6.616 31.542 14.979 1.00 11.04 H new ATOM 0 HH22 ARG A 46 5.463 30.224 15.217 1.00 11.04 H new ATOM 780 N ILE A 47 11.570 31.133 6.766 1.00 4.34 N ATOM 781 CA ILE A 47 12.623 30.669 5.871 1.00 31.34 C ATOM 782 C ILE A 47 13.133 31.802 4.988 1.00 41.02 C ATOM 783 O ILE A 47 14.251 32.287 5.166 1.00 74.32 O ATOM 784 CB ILE A 47 12.132 29.516 4.976 1.00 62.21 C ATOM 785 CG1 ILE A 47 11.664 28.339 5.834 1.00 60.53 C ATOM 786 CG2 ILE A 47 13.235 29.079 4.023 1.00 20.33 C ATOM 787 CD1 ILE A 47 10.976 27.250 5.041 1.00 35.51 C ATOM 0 H ILE A 47 10.839 31.680 6.310 1.00 4.34 H new ATOM 0 HA ILE A 47 13.437 30.309 6.500 1.00 31.34 H new ATOM 0 HB ILE A 47 11.287 29.869 4.385 1.00 62.21 H new ATOM 0 HG12 ILE A 47 12.523 27.913 6.352 1.00 60.53 H new ATOM 0 HG13 ILE A 47 10.981 28.707 6.600 1.00 60.53 H new ATOM 0 HG21 ILE A 47 12.873 28.263 3.397 1.00 20.33 H new ATOM 0 HG22 ILE A 47 13.525 29.919 3.392 1.00 20.33 H new ATOM 0 HG23 ILE A 47 14.098 28.741 4.596 1.00 20.33 H new ATOM 0 HD11 ILE A 47 10.671 26.448 5.713 1.00 35.51 H new ATOM 0 HD12 ILE A 47 10.097 27.661 4.545 1.00 35.51 H new ATOM 0 HD13 ILE A 47 11.663 26.855 4.293 1.00 35.51 H new ATOM 799 N SER A 48 12.306 32.221 4.036 1.00 53.22 N ATOM 800 CA SER A 48 12.674 33.297 3.122 1.00 34.25 C ATOM 801 C SER A 48 11.617 34.397 3.126 1.00 41.52 C ATOM 802 O SER A 48 11.933 35.577 2.968 1.00 30.11 O ATOM 803 CB SER A 48 12.854 32.751 1.705 1.00 55.35 C ATOM 804 OG SER A 48 13.492 31.487 1.722 1.00 64.50 O ATOM 0 H SER A 48 11.377 31.832 3.877 1.00 53.22 H new ATOM 0 HA SER A 48 13.618 33.723 3.461 1.00 34.25 H new ATOM 0 HB2 SER A 48 11.882 32.665 1.219 1.00 55.35 H new ATOM 0 HB3 SER A 48 13.444 33.452 1.114 1.00 55.35 H new ATOM 0 HG SER A 48 13.593 31.159 0.804 1.00 64.50 H new ATOM 810 N ASP A 49 10.362 34.003 3.307 1.00 74.24 N ATOM 811 CA ASP A 49 9.257 34.955 3.332 1.00 60.32 C ATOM 812 C ASP A 49 9.029 35.559 1.950 1.00 72.02 C ATOM 813 O ASP A 49 9.216 36.759 1.746 1.00 33.21 O ATOM 814 CB ASP A 49 9.535 36.064 4.348 1.00 74.14 C ATOM 815 CG ASP A 49 8.275 36.801 4.759 1.00 21.52 C ATOM 816 OD1 ASP A 49 7.524 37.239 3.863 1.00 42.43 O ATOM 817 OD2 ASP A 49 8.040 36.937 5.978 1.00 53.43 O ATOM 0 H ASP A 49 10.084 33.031 3.439 1.00 74.24 H new ATOM 0 HA ASP A 49 8.355 34.420 3.628 1.00 60.32 H new ATOM 0 HB2 ASP A 49 10.005 35.633 5.232 1.00 74.14 H new ATOM 0 HB3 ASP A 49 10.245 36.773 3.922 1.00 74.14 H new ATOM 822 N LYS A 50 8.625 34.720 1.002 1.00 34.12 N ATOM 823 CA LYS A 50 8.370 35.170 -0.361 1.00 63.22 C ATOM 824 C LYS A 50 7.802 34.037 -1.211 1.00 11.53 C ATOM 825 O LYS A 50 8.108 33.924 -2.398 1.00 5.34 O ATOM 826 CB LYS A 50 9.659 35.699 -0.994 1.00 41.13 C ATOM 827 CG LYS A 50 10.688 34.617 -1.275 1.00 55.24 C ATOM 828 CD LYS A 50 11.982 34.868 -0.520 1.00 51.52 C ATOM 829 CE LYS A 50 12.720 36.080 -1.068 1.00 4.33 C ATOM 830 NZ LYS A 50 13.113 37.026 0.014 1.00 60.32 N ATOM 0 H LYS A 50 8.467 33.724 1.153 1.00 34.12 H new ATOM 0 HA LYS A 50 7.635 35.974 -0.320 1.00 63.22 H new ATOM 0 HB2 LYS A 50 9.414 36.206 -1.927 1.00 41.13 H new ATOM 0 HB3 LYS A 50 10.100 36.444 -0.332 1.00 41.13 H new ATOM 0 HG2 LYS A 50 10.283 33.646 -0.991 1.00 55.24 H new ATOM 0 HG3 LYS A 50 10.892 34.577 -2.345 1.00 55.24 H new ATOM 0 HD2 LYS A 50 11.764 35.020 0.537 1.00 51.52 H new ATOM 0 HD3 LYS A 50 12.622 33.988 -0.590 1.00 51.52 H new ATOM 0 HE2 LYS A 50 13.610 35.751 -1.604 1.00 4.33 H new ATOM 0 HE3 LYS A 50 12.086 36.596 -1.789 1.00 4.33 H new ATOM 0 HZ1 LYS A 50 13.613 37.838 -0.400 1.00 60.32 H new ATOM 0 HZ2 LYS A 50 12.262 37.360 0.510 1.00 60.32 H new ATOM 0 HZ3 LYS A 50 13.739 36.541 0.689 1.00 60.32 H new ATOM 844 N VAL A 51 6.971 33.202 -0.596 1.00 21.24 N ATOM 845 CA VAL A 51 6.358 32.080 -1.296 1.00 72.22 C ATOM 846 C VAL A 51 5.638 32.546 -2.556 1.00 54.33 C ATOM 847 O VAL A 51 5.778 31.947 -3.623 1.00 32.05 O ATOM 848 CB VAL A 51 5.358 31.333 -0.393 1.00 51.23 C ATOM 849 CG1 VAL A 51 4.341 32.301 0.192 1.00 1.22 C ATOM 850 CG2 VAL A 51 4.665 30.224 -1.170 1.00 13.10 C ATOM 0 H VAL A 51 6.707 33.281 0.386 1.00 21.24 H new ATOM 0 HA VAL A 51 7.164 31.401 -1.572 1.00 72.22 H new ATOM 0 HB VAL A 51 5.908 30.879 0.431 1.00 51.23 H new ATOM 0 HG11 VAL A 51 3.643 31.756 0.827 1.00 1.22 H new ATOM 0 HG12 VAL A 51 4.857 33.056 0.785 1.00 1.22 H new ATOM 0 HG13 VAL A 51 3.793 32.786 -0.616 1.00 1.22 H new ATOM 0 HG21 VAL A 51 3.962 29.707 -0.517 1.00 13.10 H new ATOM 0 HG22 VAL A 51 4.127 30.653 -2.015 1.00 13.10 H new ATOM 0 HG23 VAL A 51 5.409 29.516 -1.536 1.00 13.10 H new ATOM 860 N VAL A 52 4.866 33.621 -2.427 1.00 32.21 N ATOM 861 CA VAL A 52 4.124 34.170 -3.556 1.00 21.23 C ATOM 862 C VAL A 52 5.050 34.467 -4.730 1.00 3.25 C ATOM 863 O VAL A 52 4.671 34.309 -5.889 1.00 14.10 O ATOM 864 CB VAL A 52 3.379 35.460 -3.164 1.00 24.11 C ATOM 865 CG1 VAL A 52 2.768 36.117 -4.392 1.00 12.44 C ATOM 866 CG2 VAL A 52 2.313 35.163 -2.121 1.00 33.02 C ATOM 0 H VAL A 52 4.738 34.129 -1.552 1.00 32.21 H new ATOM 0 HA VAL A 52 3.396 33.415 -3.854 1.00 21.23 H new ATOM 0 HB VAL A 52 4.096 36.156 -2.728 1.00 24.11 H new ATOM 0 HG11 VAL A 52 2.246 37.027 -4.096 1.00 12.44 H new ATOM 0 HG12 VAL A 52 3.557 36.366 -5.102 1.00 12.44 H new ATOM 0 HG13 VAL A 52 2.063 35.430 -4.860 1.00 12.44 H new ATOM 0 HG21 VAL A 52 1.797 36.086 -1.856 1.00 33.02 H new ATOM 0 HG22 VAL A 52 1.596 34.449 -2.527 1.00 33.02 H new ATOM 0 HG23 VAL A 52 2.781 34.741 -1.232 1.00 33.02 H new ATOM 876 N GLY A 53 6.269 34.899 -4.420 1.00 63.11 N ATOM 877 CA GLY A 53 7.232 35.211 -5.460 1.00 52.42 C ATOM 878 C GLY A 53 7.748 33.972 -6.164 1.00 53.11 C ATOM 879 O GLY A 53 8.057 34.010 -7.355 1.00 44.52 O ATOM 0 H GLY A 53 6.606 35.038 -3.468 1.00 63.11 H new ATOM 0 HA2 GLY A 53 6.770 35.875 -6.191 1.00 52.42 H new ATOM 0 HA3 GLY A 53 8.071 35.753 -5.023 1.00 52.42 H new ATOM 883 N ILE A 54 7.842 32.871 -5.427 1.00 31.24 N ATOM 884 CA ILE A 54 8.325 31.615 -5.988 1.00 14.21 C ATOM 885 C ILE A 54 7.249 30.941 -6.833 1.00 42.53 C ATOM 886 O ILE A 54 7.548 30.301 -7.842 1.00 73.12 O ATOM 887 CB ILE A 54 8.778 30.642 -4.883 1.00 51.24 C ATOM 888 CG1 ILE A 54 9.875 31.281 -4.029 1.00 53.21 C ATOM 889 CG2 ILE A 54 9.267 29.338 -5.495 1.00 24.13 C ATOM 890 CD1 ILE A 54 9.682 31.072 -2.543 1.00 41.44 C ATOM 0 H ILE A 54 7.590 32.823 -4.440 1.00 31.24 H new ATOM 0 HA ILE A 54 9.180 31.859 -6.619 1.00 14.21 H new ATOM 0 HB ILE A 54 7.926 30.422 -4.240 1.00 51.24 H new ATOM 0 HG12 ILE A 54 10.840 30.869 -4.323 1.00 53.21 H new ATOM 0 HG13 ILE A 54 9.909 32.351 -4.236 1.00 53.21 H new ATOM 0 HG21 ILE A 54 9.584 28.660 -4.702 1.00 24.13 H new ATOM 0 HG22 ILE A 54 8.459 28.878 -6.064 1.00 24.13 H new ATOM 0 HG23 ILE A 54 10.109 29.540 -6.157 1.00 24.13 H new ATOM 0 HD11 ILE A 54 10.496 31.551 -1.999 1.00 41.44 H new ATOM 0 HD12 ILE A 54 8.732 31.509 -2.234 1.00 41.44 H new ATOM 0 HD13 ILE A 54 9.678 30.004 -2.323 1.00 41.44 H new ATOM 902 N LEU A 55 5.997 31.092 -6.417 1.00 32.53 N ATOM 903 CA LEU A 55 4.875 30.499 -7.137 1.00 12.23 C ATOM 904 C LEU A 55 4.918 30.873 -8.615 1.00 23.51 C ATOM 905 O LEU A 55 4.484 30.104 -9.472 1.00 72.02 O ATOM 906 CB LEU A 55 3.551 30.956 -6.522 1.00 54.22 C ATOM 907 CG LEU A 55 3.255 30.448 -5.111 1.00 34.22 C ATOM 908 CD1 LEU A 55 1.850 30.844 -4.684 1.00 53.23 C ATOM 909 CD2 LEU A 55 3.429 28.938 -5.040 1.00 63.24 C ATOM 0 H LEU A 55 5.733 31.620 -5.585 1.00 32.53 H new ATOM 0 HA LEU A 55 4.953 29.415 -7.053 1.00 12.23 H new ATOM 0 HB2 LEU A 55 3.539 32.046 -6.504 1.00 54.22 H new ATOM 0 HB3 LEU A 55 2.740 30.639 -7.178 1.00 54.22 H new ATOM 0 HG LEU A 55 3.965 30.909 -4.424 1.00 34.22 H new ATOM 0 HD11 LEU A 55 1.658 30.474 -3.677 1.00 53.23 H new ATOM 0 HD12 LEU A 55 1.759 31.930 -4.695 1.00 53.23 H new ATOM 0 HD13 LEU A 55 1.125 30.412 -5.374 1.00 53.23 H new ATOM 0 HD21 LEU A 55 3.214 28.594 -4.028 1.00 63.24 H new ATOM 0 HD22 LEU A 55 2.743 28.459 -5.739 1.00 63.24 H new ATOM 0 HD23 LEU A 55 4.454 28.677 -5.302 1.00 63.24 H new ATOM 921 N MET A 56 5.447 32.057 -8.906 1.00 24.54 N ATOM 922 CA MET A 56 5.551 32.530 -10.281 1.00 12.00 C ATOM 923 C MET A 56 6.367 31.561 -11.130 1.00 23.43 C ATOM 924 O MET A 56 6.116 31.404 -12.325 1.00 20.13 O ATOM 925 CB MET A 56 6.189 33.920 -10.318 1.00 14.12 C ATOM 926 CG MET A 56 5.403 34.970 -9.549 1.00 32.22 C ATOM 927 SD MET A 56 5.773 36.649 -10.090 1.00 51.42 S ATOM 928 CE MET A 56 6.864 37.195 -8.779 1.00 12.23 C ATOM 0 H MET A 56 5.810 32.706 -8.208 1.00 24.54 H new ATOM 0 HA MET A 56 4.544 32.589 -10.695 1.00 12.00 H new ATOM 0 HB2 MET A 56 7.197 33.859 -9.907 1.00 14.12 H new ATOM 0 HB3 MET A 56 6.286 34.239 -11.356 1.00 14.12 H new ATOM 0 HG2 MET A 56 4.336 34.780 -9.670 1.00 32.22 H new ATOM 0 HG3 MET A 56 5.625 34.878 -8.486 1.00 32.22 H new ATOM 0 HE1 MET A 56 7.386 38.099 -9.093 1.00 12.23 H new ATOM 0 HE2 MET A 56 6.280 37.406 -7.883 1.00 12.23 H new ATOM 0 HE3 MET A 56 7.591 36.413 -8.562 1.00 12.23 H new ATOM 938 N ARG A 57 7.345 30.913 -10.505 1.00 22.12 N ATOM 939 CA ARG A 57 8.199 29.960 -11.204 1.00 2.23 C ATOM 940 C ARG A 57 7.452 28.658 -11.476 1.00 31.14 C ATOM 941 O ARG A 57 7.431 28.167 -12.604 1.00 31.44 O ATOM 942 CB ARG A 57 9.459 29.676 -10.384 1.00 65.14 C ATOM 943 CG ARG A 57 10.293 28.528 -10.928 1.00 64.45 C ATOM 944 CD ARG A 57 11.492 28.239 -10.038 1.00 60.12 C ATOM 945 NE ARG A 57 12.608 27.672 -10.790 1.00 44.00 N ATOM 946 CZ ARG A 57 13.839 27.558 -10.304 1.00 3.30 C ATOM 947 NH1 ARG A 57 14.110 27.970 -9.073 1.00 63.21 N ATOM 948 NH2 ARG A 57 14.802 27.031 -11.050 1.00 3.44 N ATOM 0 H ARG A 57 7.566 31.031 -9.516 1.00 22.12 H new ATOM 0 HA ARG A 57 8.486 30.400 -12.159 1.00 2.23 H new ATOM 0 HB2 ARG A 57 10.072 30.576 -10.352 1.00 65.14 H new ATOM 0 HB3 ARG A 57 9.171 29.450 -9.357 1.00 65.14 H new ATOM 0 HG2 ARG A 57 9.675 27.634 -11.009 1.00 64.45 H new ATOM 0 HG3 ARG A 57 10.635 28.771 -11.934 1.00 64.45 H new ATOM 0 HD2 ARG A 57 11.813 29.160 -9.552 1.00 60.12 H new ATOM 0 HD3 ARG A 57 11.199 27.548 -9.248 1.00 60.12 H new ATOM 0 HE ARG A 57 12.433 27.346 -11.740 1.00 44.00 H new ATOM 0 HH11 ARG A 57 13.372 28.376 -8.497 1.00 63.21 H new ATOM 0 HH12 ARG A 57 15.056 27.881 -8.702 1.00 63.21 H new ATOM 0 HH21 ARG A 57 14.597 26.713 -11.997 1.00 3.44 H new ATOM 0 HH22 ARG A 57 15.747 26.944 -10.676 1.00 3.44 H new ATOM 962 N ALA A 58 6.840 28.104 -10.434 1.00 3.03 N ATOM 963 CA ALA A 58 6.091 26.860 -10.560 1.00 51.23 C ATOM 964 C ALA A 58 4.925 27.018 -11.530 1.00 50.14 C ATOM 965 O ALA A 58 4.545 26.070 -12.218 1.00 52.41 O ATOM 966 CB ALA A 58 5.589 26.406 -9.198 1.00 33.40 C ATOM 0 H ALA A 58 6.848 28.498 -9.493 1.00 3.03 H new ATOM 0 HA ALA A 58 6.762 26.099 -10.959 1.00 51.23 H new ATOM 0 HB1 ALA A 58 5.031 25.476 -9.307 1.00 33.40 H new ATOM 0 HB2 ALA A 58 6.437 26.245 -8.533 1.00 33.40 H new ATOM 0 HB3 ALA A 58 4.938 27.172 -8.776 1.00 33.40 H new ATOM 972 N ARG A 59 4.361 28.221 -11.580 1.00 62.50 N ATOM 973 CA ARG A 59 3.237 28.501 -12.465 1.00 11.33 C ATOM 974 C ARG A 59 3.654 28.384 -13.928 1.00 0.12 C ATOM 975 O ARG A 59 2.836 28.077 -14.795 1.00 41.45 O ATOM 976 CB ARG A 59 2.683 29.901 -12.192 1.00 32.22 C ATOM 977 CG ARG A 59 1.289 30.124 -12.755 1.00 14.35 C ATOM 978 CD ARG A 59 1.154 31.505 -13.376 1.00 53.44 C ATOM 979 NE ARG A 59 0.153 31.531 -14.440 1.00 43.41 N ATOM 980 CZ ARG A 59 -0.378 32.649 -14.922 1.00 41.43 C ATOM 981 NH1 ARG A 59 -0.006 33.826 -14.439 1.00 3.44 N ATOM 982 NH2 ARG A 59 -1.283 32.591 -15.891 1.00 0.42 N ATOM 0 H ARG A 59 4.664 29.017 -11.018 1.00 62.50 H new ATOM 0 HA ARG A 59 2.459 27.764 -12.267 1.00 11.33 H new ATOM 0 HB2 ARG A 59 2.663 30.071 -11.116 1.00 32.22 H new ATOM 0 HB3 ARG A 59 3.361 30.640 -12.619 1.00 32.22 H new ATOM 0 HG2 ARG A 59 1.072 29.364 -13.505 1.00 14.35 H new ATOM 0 HG3 ARG A 59 0.552 30.007 -11.961 1.00 14.35 H new ATOM 0 HD2 ARG A 59 0.881 32.225 -12.604 1.00 53.44 H new ATOM 0 HD3 ARG A 59 2.118 31.818 -13.777 1.00 53.44 H new ATOM 0 HE ARG A 59 -0.155 30.642 -14.834 1.00 43.41 H new ATOM 0 HH11 ARG A 59 0.690 33.875 -13.695 1.00 3.44 H new ATOM 0 HH12 ARG A 59 -0.416 34.683 -14.811 1.00 3.44 H new ATOM 0 HH21 ARG A 59 -1.571 31.687 -16.266 1.00 0.42 H new ATOM 0 HH22 ARG A 59 -1.690 33.450 -16.261 1.00 0.42 H new ATOM 996 N LYS A 60 4.932 28.631 -14.195 1.00 10.01 N ATOM 997 CA LYS A 60 5.459 28.553 -15.552 1.00 25.01 C ATOM 998 C LYS A 60 5.100 27.219 -16.199 1.00 43.45 C ATOM 999 O LYS A 60 4.877 27.145 -17.408 1.00 61.12 O ATOM 1000 CB LYS A 60 6.979 28.734 -15.542 1.00 0.13 C ATOM 1001 CG LYS A 60 7.427 30.089 -15.020 1.00 74.33 C ATOM 1002 CD LYS A 60 7.642 31.079 -16.153 1.00 22.33 C ATOM 1003 CE LYS A 60 6.836 32.351 -15.942 1.00 33.12 C ATOM 1004 NZ LYS A 60 6.318 32.899 -17.226 1.00 61.22 N ATOM 0 H LYS A 60 5.622 28.887 -13.489 1.00 10.01 H new ATOM 0 HA LYS A 60 5.007 29.354 -16.137 1.00 25.01 H new ATOM 0 HB2 LYS A 60 7.426 27.952 -14.928 1.00 0.13 H new ATOM 0 HB3 LYS A 60 7.359 28.600 -16.555 1.00 0.13 H new ATOM 0 HG2 LYS A 60 6.679 30.480 -14.331 1.00 74.33 H new ATOM 0 HG3 LYS A 60 8.352 29.975 -14.455 1.00 74.33 H new ATOM 0 HD2 LYS A 60 8.701 31.326 -16.226 1.00 22.33 H new ATOM 0 HD3 LYS A 60 7.356 30.619 -17.099 1.00 22.33 H new ATOM 0 HE2 LYS A 60 6.001 32.145 -15.272 1.00 33.12 H new ATOM 0 HE3 LYS A 60 7.460 33.099 -15.453 1.00 33.12 H new ATOM 0 HZ1 LYS A 60 5.774 33.766 -17.039 1.00 61.22 H new ATOM 0 HZ2 LYS A 60 7.115 33.120 -17.856 1.00 61.22 H new ATOM 0 HZ3 LYS A 60 5.702 32.195 -17.681 1.00 61.22 H new ATOM 1018 N HIS A 61 5.045 26.168 -15.388 1.00 12.34 N ATOM 1019 CA HIS A 61 4.710 24.837 -15.882 1.00 2.42 C ATOM 1020 C HIS A 61 3.378 24.364 -15.308 1.00 62.20 C ATOM 1021 O HIS A 61 3.179 23.172 -15.077 1.00 60.13 O ATOM 1022 CB HIS A 61 5.816 23.844 -15.522 1.00 54.13 C ATOM 1023 CG HIS A 61 7.110 24.106 -16.230 1.00 14.24 C ATOM 1024 ND1 HIS A 61 8.056 24.994 -15.763 1.00 21.32 N ATOM 1025 CD2 HIS A 61 7.613 23.590 -17.375 1.00 54.13 C ATOM 1026 CE1 HIS A 61 9.085 25.014 -16.592 1.00 35.53 C ATOM 1027 NE2 HIS A 61 8.841 24.170 -17.579 1.00 14.15 N ATOM 0 H HIS A 61 5.228 26.212 -14.386 1.00 12.34 H new ATOM 0 HA HIS A 61 4.619 24.891 -16.967 1.00 2.42 H new ATOM 0 HB2 HIS A 61 5.987 23.877 -14.446 1.00 54.13 H new ATOM 0 HB3 HIS A 61 5.479 22.835 -15.760 1.00 54.13 H new ATOM 0 HD2 HIS A 61 7.137 22.858 -18.011 1.00 54.13 H new ATOM 0 HE1 HIS A 61 9.974 25.617 -16.482 1.00 35.53 H new ATOM 0 HE2 HIS A 61 9.463 23.980 -18.365 1.00 14.15 H new ATOM 1035 N GLY A 62 2.469 25.307 -15.079 1.00 71.42 N ATOM 1036 CA GLY A 62 1.168 24.966 -14.534 1.00 21.25 C ATOM 1037 C GLY A 62 1.269 24.125 -13.277 1.00 30.35 C ATOM 1038 O GLY A 62 0.904 22.948 -13.277 1.00 1.23 O ATOM 0 H GLY A 62 2.610 26.301 -15.261 1.00 71.42 H new ATOM 0 HA2 GLY A 62 0.619 25.881 -14.312 1.00 21.25 H new ATOM 0 HA3 GLY A 62 0.593 24.424 -15.285 1.00 21.25 H new ATOM 1042 N LEU A 63 1.767 24.727 -12.202 1.00 74.01 N ATOM 1043 CA LEU A 63 1.916 24.025 -10.932 1.00 44.01 C ATOM 1044 C LEU A 63 0.993 24.616 -9.871 1.00 60.43 C ATOM 1045 O LEU A 63 0.587 23.928 -8.934 1.00 54.14 O ATOM 1046 CB LEU A 63 3.369 24.095 -10.456 1.00 74.34 C ATOM 1047 CG LEU A 63 3.692 23.328 -9.174 1.00 23.22 C ATOM 1048 CD1 LEU A 63 3.283 24.135 -7.952 1.00 32.24 C ATOM 1049 CD2 LEU A 63 3.003 21.971 -9.175 1.00 53.30 C ATOM 0 H LEU A 63 2.074 25.699 -12.185 1.00 74.01 H new ATOM 0 HA LEU A 63 1.640 22.982 -11.087 1.00 44.01 H new ATOM 0 HB2 LEU A 63 4.010 23.718 -11.253 1.00 74.34 H new ATOM 0 HB3 LEU A 63 3.631 25.142 -10.305 1.00 74.34 H new ATOM 0 HG LEU A 63 4.769 23.165 -9.133 1.00 23.22 H new ATOM 0 HD11 LEU A 63 3.521 23.573 -7.049 1.00 32.24 H new ATOM 0 HD12 LEU A 63 3.824 25.081 -7.943 1.00 32.24 H new ATOM 0 HD13 LEU A 63 2.211 24.330 -7.987 1.00 32.24 H new ATOM 0 HD21 LEU A 63 3.245 21.440 -8.255 1.00 53.30 H new ATOM 0 HD22 LEU A 63 1.924 22.111 -9.241 1.00 53.30 H new ATOM 0 HD23 LEU A 63 3.346 21.389 -10.031 1.00 53.30 H new ATOM 1061 N VAL A 64 0.663 25.894 -10.026 1.00 45.13 N ATOM 1062 CA VAL A 64 -0.215 26.577 -9.084 1.00 21.20 C ATOM 1063 C VAL A 64 -1.530 26.973 -9.746 1.00 44.13 C ATOM 1064 O VAL A 64 -1.545 27.730 -10.718 1.00 24.31 O ATOM 1065 CB VAL A 64 0.455 27.836 -8.504 1.00 1.53 C ATOM 1066 CG1 VAL A 64 1.539 27.454 -7.507 1.00 52.22 C ATOM 1067 CG2 VAL A 64 1.026 28.698 -9.620 1.00 13.10 C ATOM 0 H VAL A 64 0.991 26.478 -10.796 1.00 45.13 H new ATOM 0 HA VAL A 64 -0.416 25.876 -8.274 1.00 21.20 H new ATOM 0 HB VAL A 64 -0.301 28.418 -7.977 1.00 1.53 H new ATOM 0 HG11 VAL A 64 2.001 28.357 -7.108 1.00 52.22 H new ATOM 0 HG12 VAL A 64 1.098 26.881 -6.691 1.00 52.22 H new ATOM 0 HG13 VAL A 64 2.296 26.850 -8.007 1.00 52.22 H new ATOM 0 HG21 VAL A 64 1.496 29.583 -9.192 1.00 13.10 H new ATOM 0 HG22 VAL A 64 1.769 28.127 -10.177 1.00 13.10 H new ATOM 0 HG23 VAL A 64 0.223 29.002 -10.292 1.00 13.10 H new ATOM 1077 N HIS A 65 -2.633 26.457 -9.214 1.00 52.40 N ATOM 1078 CA HIS A 65 -3.955 26.758 -9.753 1.00 3.50 C ATOM 1079 C HIS A 65 -4.501 28.054 -9.161 1.00 44.41 C ATOM 1080 O HIS A 65 -5.607 28.482 -9.492 1.00 3.25 O ATOM 1081 CB HIS A 65 -4.920 25.607 -9.467 1.00 44.41 C ATOM 1082 CG HIS A 65 -5.825 25.285 -10.616 1.00 44.11 C ATOM 1083 ND1 HIS A 65 -6.120 26.186 -11.617 1.00 51.21 N ATOM 1084 CD2 HIS A 65 -6.499 24.152 -10.921 1.00 33.12 C ATOM 1085 CE1 HIS A 65 -6.939 25.622 -12.487 1.00 22.11 C ATOM 1086 NE2 HIS A 65 -7.184 24.387 -12.088 1.00 31.04 N ATOM 0 H HIS A 65 -2.638 25.829 -8.411 1.00 52.40 H new ATOM 0 HA HIS A 65 -3.860 26.883 -10.832 1.00 3.50 H new ATOM 0 HB2 HIS A 65 -4.345 24.718 -9.208 1.00 44.41 H new ATOM 0 HB3 HIS A 65 -5.526 25.860 -8.597 1.00 44.41 H new ATOM 0 HD2 HIS A 65 -6.498 23.234 -10.353 1.00 33.12 H new ATOM 0 HE1 HIS A 65 -7.340 26.091 -13.373 1.00 22.11 H new ATOM 0 HE2 HIS A 65 -7.784 23.717 -12.568 1.00 31.04 H new ATOM 1094 N PHE A 66 -3.718 28.674 -8.284 1.00 40.40 N ATOM 1095 CA PHE A 66 -4.124 29.921 -7.645 1.00 23.44 C ATOM 1096 C PHE A 66 -4.562 30.948 -8.684 1.00 62.13 C ATOM 1097 O PHE A 66 -4.232 30.831 -9.864 1.00 73.20 O ATOM 1098 CB PHE A 66 -2.976 30.485 -6.805 1.00 44.24 C ATOM 1099 CG PHE A 66 -1.988 31.288 -7.603 1.00 70.54 C ATOM 1100 CD1 PHE A 66 -1.414 30.762 -8.750 1.00 25.15 C ATOM 1101 CD2 PHE A 66 -1.635 32.567 -7.208 1.00 5.51 C ATOM 1102 CE1 PHE A 66 -0.504 31.498 -9.485 1.00 61.21 C ATOM 1103 CE2 PHE A 66 -0.726 33.308 -7.940 1.00 3.43 C ATOM 1104 CZ PHE A 66 -0.160 32.773 -9.080 1.00 55.05 C ATOM 0 H PHE A 66 -2.799 28.334 -8.000 1.00 40.40 H new ATOM 0 HA PHE A 66 -4.971 29.707 -6.993 1.00 23.44 H new ATOM 0 HB2 PHE A 66 -3.389 31.113 -6.015 1.00 44.24 H new ATOM 0 HB3 PHE A 66 -2.454 29.661 -6.318 1.00 44.24 H new ATOM 0 HD1 PHE A 66 -1.681 29.766 -9.073 1.00 25.15 H new ATOM 0 HD2 PHE A 66 -2.075 32.991 -6.317 1.00 5.51 H new ATOM 0 HE1 PHE A 66 -0.062 31.076 -10.376 1.00 61.21 H new ATOM 0 HE2 PHE A 66 -0.459 34.304 -7.620 1.00 3.43 H new ATOM 0 HZ PHE A 66 0.550 33.350 -9.654 1.00 55.05 H new ATOM 1168 N LEU A 71 -0.850 37.656 -4.250 1.00 72.22 N ATOM 1169 CA LEU A 71 -1.680 37.438 -3.070 1.00 61.42 C ATOM 1170 C LEU A 71 -1.229 38.326 -1.915 1.00 45.14 C ATOM 1171 O LEU A 71 -0.077 38.263 -1.484 1.00 34.30 O ATOM 1172 CB LEU A 71 -1.626 35.968 -2.649 1.00 70.03 C ATOM 1173 CG LEU A 71 -1.845 34.943 -3.762 1.00 62.52 C ATOM 1174 CD1 LEU A 71 -1.973 33.543 -3.181 1.00 1.10 C ATOM 1175 CD2 LEU A 71 -3.078 35.298 -4.580 1.00 34.45 C ATOM 0 HA LEU A 71 -2.707 37.699 -3.325 1.00 61.42 H new ATOM 0 HB2 LEU A 71 -0.655 35.777 -2.192 1.00 70.03 H new ATOM 0 HB3 LEU A 71 -2.379 35.804 -1.878 1.00 70.03 H new ATOM 0 HG LEU A 71 -0.978 34.962 -4.423 1.00 62.52 H new ATOM 0 HD11 LEU A 71 -2.128 32.827 -3.988 1.00 1.10 H new ATOM 0 HD12 LEU A 71 -1.061 33.289 -2.641 1.00 1.10 H new ATOM 0 HD13 LEU A 71 -2.821 33.509 -2.497 1.00 1.10 H new ATOM 0 HD21 LEU A 71 -3.218 34.557 -5.367 1.00 34.45 H new ATOM 0 HD22 LEU A 71 -3.954 35.308 -3.932 1.00 34.45 H new ATOM 0 HD23 LEU A 71 -2.946 36.283 -5.028 1.00 34.45 H new ATOM 1187 N TRP A 72 -2.143 39.151 -1.419 1.00 1.23 N ATOM 1188 CA TRP A 72 -1.839 40.051 -0.312 1.00 12.22 C ATOM 1189 C TRP A 72 -2.194 39.409 1.025 1.00 41.12 C ATOM 1190 O TRP A 72 -3.321 38.958 1.226 1.00 61.50 O ATOM 1191 CB TRP A 72 -2.598 41.369 -0.476 1.00 71.00 C ATOM 1192 CG TRP A 72 -2.128 42.183 -1.643 1.00 54.43 C ATOM 1193 CD1 TRP A 72 -2.900 42.705 -2.642 1.00 61.12 C ATOM 1194 CD2 TRP A 72 -0.780 42.568 -1.933 1.00 21.50 C ATOM 1195 NE1 TRP A 72 -2.112 43.390 -3.536 1.00 12.04 N ATOM 1196 CE2 TRP A 72 -0.808 43.321 -3.123 1.00 10.54 C ATOM 1197 CE3 TRP A 72 0.448 42.350 -1.302 1.00 70.15 C ATOM 1198 CZ2 TRP A 72 0.345 43.856 -3.692 1.00 74.22 C ATOM 1199 CZ3 TRP A 72 1.591 42.881 -1.869 1.00 61.32 C ATOM 1200 CH2 TRP A 72 1.533 43.627 -3.054 1.00 2.13 C ATOM 0 H TRP A 72 -3.100 39.216 -1.765 1.00 1.23 H new ATOM 0 HA TRP A 72 -0.768 40.253 -0.324 1.00 12.22 H new ATOM 0 HB2 TRP A 72 -3.660 41.156 -0.595 1.00 71.00 H new ATOM 0 HB3 TRP A 72 -2.491 41.958 0.435 1.00 71.00 H new ATOM 0 HD1 TRP A 72 -3.972 42.596 -2.718 1.00 61.12 H new ATOM 0 HE1 TRP A 72 -2.444 43.872 -4.371 1.00 12.04 H new ATOM 0 HE3 TRP A 72 0.503 41.777 -0.388 1.00 70.15 H new ATOM 0 HZ2 TRP A 72 0.303 44.431 -4.605 1.00 74.22 H new ATOM 0 HZ3 TRP A 72 2.545 42.718 -1.391 1.00 61.32 H new ATOM 0 HH2 TRP A 72 2.444 44.029 -3.472 1.00 2.13 H new ATOM 1211 N GLN A 73 -1.226 39.372 1.934 1.00 5.44 N ATOM 1212 CA GLN A 73 -1.437 38.785 3.252 1.00 75.52 C ATOM 1213 C GLN A 73 -2.671 39.381 3.922 1.00 61.21 C ATOM 1214 O GLN A 73 -2.831 40.599 3.979 1.00 41.32 O ATOM 1215 CB GLN A 73 -0.207 39.002 4.135 1.00 54.33 C ATOM 1216 CG GLN A 73 -0.177 38.112 5.367 1.00 55.33 C ATOM 1217 CD GLN A 73 -0.501 38.868 6.640 1.00 35.14 C ATOM 1218 OE1 GLN A 73 0.375 39.477 7.255 1.00 71.23 O ATOM 1219 NE2 GLN A 73 -1.766 38.833 7.045 1.00 61.34 N ATOM 0 H GLN A 73 -0.287 39.742 1.782 1.00 5.44 H new ATOM 0 HA GLN A 73 -1.597 37.715 3.123 1.00 75.52 H new ATOM 0 HB2 GLN A 73 0.691 38.820 3.544 1.00 54.33 H new ATOM 0 HB3 GLN A 73 -0.176 40.045 4.450 1.00 54.33 H new ATOM 0 HG2 GLN A 73 -0.891 37.298 5.240 1.00 55.33 H new ATOM 0 HG3 GLN A 73 0.810 37.659 5.459 1.00 55.33 H new ATOM 0 HE21 GLN A 73 -2.460 38.316 6.505 1.00 61.34 H new ATOM 0 HE22 GLN A 73 -2.043 39.323 7.896 1.00 61.34 H new ATOM 1228 N GLY A 74 -3.541 38.513 4.428 1.00 35.43 N ATOM 1229 CA GLY A 74 -4.750 38.972 5.087 1.00 1.53 C ATOM 1230 C GLY A 74 -5.849 39.324 4.104 1.00 23.30 C ATOM 1231 O GLY A 74 -6.953 39.697 4.502 1.00 63.33 O ATOM 0 H GLY A 74 -3.430 37.500 4.393 1.00 35.43 H new ATOM 0 HA2 GLY A 74 -5.108 38.196 5.764 1.00 1.53 H new ATOM 0 HA3 GLY A 74 -4.519 39.846 5.696 1.00 1.53 H new ATOM 1235 N LYS A 75 -5.547 39.207 2.815 1.00 30.54 N ATOM 1236 CA LYS A 75 -6.517 39.515 1.771 1.00 63.41 C ATOM 1237 C LYS A 75 -6.745 38.307 0.867 1.00 11.13 C ATOM 1238 O LYS A 75 -7.879 37.868 0.676 1.00 15.55 O ATOM 1239 CB LYS A 75 -6.038 40.706 0.937 1.00 33.54 C ATOM 1240 CG LYS A 75 -5.500 41.855 1.772 1.00 72.01 C ATOM 1241 CD LYS A 75 -6.592 42.489 2.618 1.00 61.14 C ATOM 1242 CE LYS A 75 -6.216 43.899 3.048 1.00 70.54 C ATOM 1243 NZ LYS A 75 -7.023 44.357 4.212 1.00 31.12 N ATOM 0 H LYS A 75 -4.638 38.901 2.469 1.00 30.54 H new ATOM 0 HA LYS A 75 -7.461 39.771 2.251 1.00 63.41 H new ATOM 0 HB2 LYS A 75 -5.260 40.370 0.252 1.00 33.54 H new ATOM 0 HB3 LYS A 75 -6.865 41.068 0.326 1.00 33.54 H new ATOM 0 HG2 LYS A 75 -4.701 41.493 2.419 1.00 72.01 H new ATOM 0 HG3 LYS A 75 -5.062 42.608 1.117 1.00 72.01 H new ATOM 0 HD2 LYS A 75 -7.523 42.516 2.052 1.00 61.14 H new ATOM 0 HD3 LYS A 75 -6.773 41.875 3.500 1.00 61.14 H new ATOM 0 HE2 LYS A 75 -5.157 43.930 3.305 1.00 70.54 H new ATOM 0 HE3 LYS A 75 -6.361 44.584 2.213 1.00 70.54 H new ATOM 0 HZ1 LYS A 75 -6.737 45.322 4.475 1.00 31.12 H new ATOM 0 HZ2 LYS A 75 -8.032 44.352 3.959 1.00 31.12 H new ATOM 0 HZ3 LYS A 75 -6.865 43.718 5.017 1.00 31.12 H new ATOM 1257 N ASP A 76 -5.661 37.774 0.315 1.00 20.10 N ATOM 1258 CA ASP A 76 -5.743 36.615 -0.567 1.00 11.15 C ATOM 1259 C ASP A 76 -5.416 35.332 0.191 1.00 61.13 C ATOM 1260 O ASP A 76 -5.170 34.288 -0.414 1.00 10.01 O ATOM 1261 CB ASP A 76 -4.790 36.780 -1.751 1.00 42.11 C ATOM 1262 CG ASP A 76 -5.478 37.358 -2.972 1.00 72.32 C ATOM 1263 OD1 ASP A 76 -6.410 36.708 -3.490 1.00 71.12 O ATOM 1264 OD2 ASP A 76 -5.084 38.459 -3.410 1.00 55.14 O ATOM 0 H ASP A 76 -4.715 38.126 0.462 1.00 20.10 H new ATOM 0 HA ASP A 76 -6.765 36.545 -0.941 1.00 11.15 H new ATOM 0 HB2 ASP A 76 -3.964 37.430 -1.461 1.00 42.11 H new ATOM 0 HB3 ASP A 76 -4.359 35.811 -2.005 1.00 42.11 H new ATOM 1269 N ASP A 77 -5.414 35.418 1.516 1.00 23.34 N ATOM 1270 CA ASP A 77 -5.117 34.263 2.357 1.00 44.52 C ATOM 1271 C ASP A 77 -6.065 33.109 2.049 1.00 31.05 C ATOM 1272 O ASP A 77 -5.728 31.943 2.255 1.00 24.35 O ATOM 1273 CB ASP A 77 -5.217 34.643 3.835 1.00 20.20 C ATOM 1274 CG ASP A 77 -3.889 35.099 4.407 1.00 13.31 C ATOM 1275 OD1 ASP A 77 -3.016 35.518 3.619 1.00 43.03 O ATOM 1276 OD2 ASP A 77 -3.724 35.039 5.643 1.00 32.22 O ATOM 0 H ASP A 77 -5.615 36.275 2.032 1.00 23.34 H new ATOM 0 HA ASP A 77 -4.099 33.939 2.142 1.00 44.52 H new ATOM 0 HB2 ASP A 77 -5.953 35.439 3.954 1.00 20.20 H new ATOM 0 HB3 ASP A 77 -5.579 33.787 4.404 1.00 20.20 H new ATOM 1281 N HIS A 78 -7.254 33.442 1.556 1.00 20.44 N ATOM 1282 CA HIS A 78 -8.252 32.432 1.221 1.00 12.32 C ATOM 1283 C HIS A 78 -7.830 31.640 -0.012 1.00 73.24 C ATOM 1284 O HIS A 78 -8.304 30.526 -0.239 1.00 45.13 O ATOM 1285 CB HIS A 78 -9.611 33.089 0.979 1.00 13.43 C ATOM 1286 CG HIS A 78 -9.625 34.024 -0.191 1.00 72.43 C ATOM 1287 ND1 HIS A 78 -9.374 35.375 -0.079 1.00 21.30 N ATOM 1288 CD2 HIS A 78 -9.861 33.794 -1.504 1.00 45.03 C ATOM 1289 CE1 HIS A 78 -9.456 35.936 -1.272 1.00 2.20 C ATOM 1290 NE2 HIS A 78 -9.750 34.998 -2.155 1.00 5.44 N ATOM 0 H HIS A 78 -7.550 34.402 1.380 1.00 20.44 H new ATOM 0 HA HIS A 78 -8.334 31.744 2.062 1.00 12.32 H new ATOM 0 HB2 HIS A 78 -10.358 32.311 0.821 1.00 13.43 H new ATOM 0 HB3 HIS A 78 -9.905 33.636 1.874 1.00 13.43 H new ATOM 0 HD1 HIS A 78 -9.159 35.865 0.789 1.00 21.30 H new ATOM 0 HD2 HIS A 78 -10.093 32.841 -1.956 1.00 45.03 H new ATOM 0 HE1 HIS A 78 -9.308 36.984 -1.489 1.00 2.20 H new ATOM 1298 N VAL A 79 -6.938 32.222 -0.807 1.00 61.13 N ATOM 1299 CA VAL A 79 -6.452 31.570 -2.018 1.00 11.13 C ATOM 1300 C VAL A 79 -5.867 30.197 -1.706 1.00 2.54 C ATOM 1301 O VAL A 79 -4.854 30.085 -1.014 1.00 75.21 O ATOM 1302 CB VAL A 79 -5.382 32.424 -2.724 1.00 72.20 C ATOM 1303 CG1 VAL A 79 -4.822 31.687 -3.931 1.00 20.21 C ATOM 1304 CG2 VAL A 79 -5.960 33.771 -3.132 1.00 61.53 C ATOM 0 H VAL A 79 -6.537 33.144 -0.635 1.00 61.13 H new ATOM 0 HA VAL A 79 -7.309 31.454 -2.681 1.00 11.13 H new ATOM 0 HB VAL A 79 -4.564 32.602 -2.026 1.00 72.20 H new ATOM 0 HG11 VAL A 79 -4.068 32.306 -4.417 1.00 20.21 H new ATOM 0 HG12 VAL A 79 -4.369 30.750 -3.607 1.00 20.21 H new ATOM 0 HG13 VAL A 79 -5.627 31.477 -4.635 1.00 20.21 H new ATOM 0 HG21 VAL A 79 -5.191 34.362 -3.629 1.00 61.53 H new ATOM 0 HG22 VAL A 79 -6.796 33.617 -3.814 1.00 61.53 H new ATOM 0 HG23 VAL A 79 -6.308 34.301 -2.245 1.00 61.53 H new ATOM 1314 N VAL A 80 -6.510 29.155 -2.221 1.00 34.33 N ATOM 1315 CA VAL A 80 -6.053 27.788 -1.999 1.00 10.23 C ATOM 1316 C VAL A 80 -5.079 27.351 -3.087 1.00 4.23 C ATOM 1317 O VAL A 80 -5.406 27.376 -4.274 1.00 20.15 O ATOM 1318 CB VAL A 80 -7.234 26.801 -1.956 1.00 74.22 C ATOM 1319 CG1 VAL A 80 -6.730 25.369 -1.865 1.00 34.43 C ATOM 1320 CG2 VAL A 80 -8.158 27.125 -0.792 1.00 2.33 C ATOM 0 H VAL A 80 -7.350 29.231 -2.795 1.00 34.33 H new ATOM 0 HA VAL A 80 -5.545 27.777 -1.035 1.00 10.23 H new ATOM 0 HB VAL A 80 -7.803 26.903 -2.880 1.00 74.22 H new ATOM 0 HG11 VAL A 80 -7.579 24.686 -1.836 1.00 34.43 H new ATOM 0 HG12 VAL A 80 -6.113 25.144 -2.735 1.00 34.43 H new ATOM 0 HG13 VAL A 80 -6.136 25.249 -0.959 1.00 34.43 H new ATOM 0 HG21 VAL A 80 -8.987 26.417 -0.777 1.00 2.33 H new ATOM 0 HG22 VAL A 80 -7.603 27.054 0.144 1.00 2.33 H new ATOM 0 HG23 VAL A 80 -8.547 28.137 -0.907 1.00 2.33 H new ATOM 1330 N ILE A 81 -3.880 26.951 -2.674 1.00 55.23 N ATOM 1331 CA ILE A 81 -2.859 26.507 -3.614 1.00 43.00 C ATOM 1332 C ILE A 81 -2.791 24.985 -3.673 1.00 61.24 C ATOM 1333 O ILE A 81 -2.346 24.334 -2.727 1.00 44.14 O ATOM 1334 CB ILE A 81 -1.470 27.057 -3.238 1.00 13.23 C ATOM 1335 CG1 ILE A 81 -1.490 28.587 -3.227 1.00 44.11 C ATOM 1336 CG2 ILE A 81 -0.416 26.542 -4.206 1.00 51.01 C ATOM 1337 CD1 ILE A 81 -1.906 29.177 -1.898 1.00 1.01 C ATOM 0 H ILE A 81 -3.593 26.926 -1.696 1.00 55.23 H new ATOM 0 HA ILE A 81 -3.142 26.894 -4.593 1.00 43.00 H new ATOM 0 HB ILE A 81 -1.216 26.708 -2.237 1.00 13.23 H new ATOM 0 HG12 ILE A 81 -0.498 28.957 -3.485 1.00 44.11 H new ATOM 0 HG13 ILE A 81 -2.172 28.939 -4.001 1.00 44.11 H new ATOM 0 HG21 ILE A 81 0.560 26.940 -3.927 1.00 51.01 H new ATOM 0 HG22 ILE A 81 -0.388 25.453 -4.168 1.00 51.01 H new ATOM 0 HG23 ILE A 81 -0.663 26.864 -5.218 1.00 51.01 H new ATOM 0 HD11 ILE A 81 -1.897 30.265 -1.964 1.00 1.01 H new ATOM 0 HD12 ILE A 81 -2.911 28.837 -1.647 1.00 1.01 H new ATOM 0 HD13 ILE A 81 -1.210 28.855 -1.123 1.00 1.01 H new ATOM 1349 N THR A 82 -3.234 24.421 -4.793 1.00 12.20 N ATOM 1350 CA THR A 82 -3.224 22.976 -4.977 1.00 65.51 C ATOM 1351 C THR A 82 -2.089 22.547 -5.901 1.00 11.31 C ATOM 1352 O THR A 82 -2.106 22.838 -7.098 1.00 20.02 O ATOM 1353 CB THR A 82 -4.559 22.473 -5.556 1.00 55.13 C ATOM 1354 OG1 THR A 82 -4.431 21.109 -5.971 1.00 34.50 O ATOM 1355 CG2 THR A 82 -4.993 23.329 -6.737 1.00 33.30 C ATOM 0 H THR A 82 -3.604 24.944 -5.586 1.00 12.20 H new ATOM 0 HA THR A 82 -3.075 22.534 -3.992 1.00 65.51 H new ATOM 0 HB THR A 82 -5.317 22.545 -4.777 1.00 55.13 H new ATOM 0 HG1 THR A 82 -5.285 20.797 -6.337 1.00 34.50 H new ATOM 0 HG21 THR A 82 -5.938 22.955 -7.130 1.00 33.30 H new ATOM 0 HG22 THR A 82 -5.119 24.362 -6.411 1.00 33.30 H new ATOM 0 HG23 THR A 82 -4.233 23.285 -7.517 1.00 33.30 H new ATOM 1363 N LEU A 83 -1.105 21.855 -5.339 1.00 64.42 N ATOM 1364 CA LEU A 83 0.039 21.385 -6.114 1.00 21.15 C ATOM 1365 C LEU A 83 -0.418 20.677 -7.385 1.00 40.32 C ATOM 1366 O LEU A 83 -0.898 19.544 -7.340 1.00 31.14 O ATOM 1367 CB LEU A 83 0.897 20.440 -5.271 1.00 21.33 C ATOM 1368 CG LEU A 83 2.410 20.563 -5.455 1.00 21.04 C ATOM 1369 CD1 LEU A 83 2.886 21.950 -5.050 1.00 72.41 C ATOM 1370 CD2 LEU A 83 3.134 19.493 -4.650 1.00 40.13 C ATOM 0 H LEU A 83 -1.075 21.607 -4.350 1.00 64.42 H new ATOM 0 HA LEU A 83 0.635 22.252 -6.398 1.00 21.15 H new ATOM 0 HB2 LEU A 83 0.664 20.610 -4.220 1.00 21.33 H new ATOM 0 HB3 LEU A 83 0.605 19.415 -5.500 1.00 21.33 H new ATOM 0 HG LEU A 83 2.642 20.415 -6.510 1.00 21.04 H new ATOM 0 HD11 LEU A 83 3.965 22.019 -5.188 1.00 72.41 H new ATOM 0 HD12 LEU A 83 2.393 22.699 -5.669 1.00 72.41 H new ATOM 0 HD13 LEU A 83 2.642 22.127 -4.003 1.00 72.41 H new ATOM 0 HD21 LEU A 83 4.210 19.596 -4.793 1.00 40.13 H new ATOM 0 HD22 LEU A 83 2.896 19.609 -3.593 1.00 40.13 H new ATOM 0 HD23 LEU A 83 2.816 18.506 -4.987 1.00 40.13 H new ATOM 1382 N LEU A 84 -0.264 21.352 -8.519 1.00 61.12 N ATOM 1383 CA LEU A 84 -0.659 20.787 -9.805 1.00 45.10 C ATOM 1384 C LEU A 84 0.530 20.131 -10.500 1.00 5.14 C ATOM 1385 O LEU A 84 1.197 20.751 -11.327 1.00 41.52 O ATOM 1386 CB LEU A 84 -1.251 21.875 -10.702 1.00 41.40 C ATOM 1387 CG LEU A 84 -2.381 22.706 -10.093 1.00 33.41 C ATOM 1388 CD1 LEU A 84 -3.016 23.599 -11.148 1.00 20.43 C ATOM 1389 CD2 LEU A 84 -3.427 21.799 -9.459 1.00 41.44 C ATOM 0 H LEU A 84 0.131 22.291 -8.574 1.00 61.12 H new ATOM 0 HA LEU A 84 -1.416 20.024 -9.622 1.00 45.10 H new ATOM 0 HB2 LEU A 84 -0.448 22.551 -10.997 1.00 41.40 H new ATOM 0 HB3 LEU A 84 -1.623 21.405 -11.612 1.00 41.40 H new ATOM 0 HG LEU A 84 -1.960 23.342 -9.315 1.00 33.41 H new ATOM 0 HD11 LEU A 84 -3.818 24.183 -10.696 1.00 20.43 H new ATOM 0 HD12 LEU A 84 -2.262 24.273 -11.556 1.00 20.43 H new ATOM 0 HD13 LEU A 84 -3.423 22.982 -11.949 1.00 20.43 H new ATOM 0 HD21 LEU A 84 -4.224 22.407 -9.030 1.00 41.44 H new ATOM 0 HD22 LEU A 84 -3.844 21.138 -10.219 1.00 41.44 H new ATOM 0 HD23 LEU A 84 -2.963 21.202 -8.673 1.00 41.44 H new ATOM 1401 N GLU A 85 0.788 18.872 -10.158 1.00 43.51 N ATOM 1402 CA GLU A 85 1.896 18.133 -10.751 1.00 23.44 C ATOM 1403 C GLU A 85 1.398 16.865 -11.438 1.00 70.32 C ATOM 1404 O GLU A 85 0.242 16.785 -11.852 1.00 40.13 O ATOM 1405 CB GLU A 85 2.929 17.773 -9.680 1.00 40.22 C ATOM 1406 CG GLU A 85 3.892 18.904 -9.359 1.00 72.03 C ATOM 1407 CD GLU A 85 5.264 18.404 -8.953 1.00 23.15 C ATOM 1408 OE1 GLU A 85 6.035 17.993 -9.845 1.00 30.53 O ATOM 1409 OE2 GLU A 85 5.567 18.424 -7.741 1.00 44.41 O ATOM 0 H GLU A 85 0.246 18.344 -9.475 1.00 43.51 H new ATOM 0 HA GLU A 85 2.366 18.771 -11.500 1.00 23.44 H new ATOM 0 HB2 GLU A 85 2.408 17.481 -8.768 1.00 40.22 H new ATOM 0 HB3 GLU A 85 3.499 16.906 -10.014 1.00 40.22 H new ATOM 0 HG2 GLU A 85 3.989 19.552 -10.230 1.00 72.03 H new ATOM 0 HG3 GLU A 85 3.478 19.511 -8.554 1.00 72.03 H new