USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 21:sc= 0.207 USER MOD Single : A 13 TYR OH : rot 2:sc= -1.13 USER MOD Single : A 15 ASN : amide:sc=-0.000779 K(o=-0.00078,f=-0.62) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.81) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 30 SER OG : rot 80:sc= 1.35 USER MOD Single : A 36 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.028) USER MOD Single : A 37 THR OG1 : rot 84:sc= 0.426 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.849 K(o=-0.85,f=-0.26) USER MOD Single : A 60 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc=-0.00906 X(o=-0.0091,f=-0.0091) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.570 0.966 0.971 1.00 50.43 N ATOM 159 CA SER A 12 13.021 2.066 0.120 1.00 53.31 C ATOM 160 C SER A 12 11.810 2.894 -0.342 1.00 54.41 C ATOM 161 O SER A 12 11.797 4.138 -0.219 1.00 11.53 O ATOM 162 CB SER A 12 13.771 1.495 -1.080 1.00 12.34 C ATOM 163 OG SER A 12 14.787 0.600 -0.643 1.00 24.44 O ATOM 0 HA SER A 12 13.691 2.718 0.680 1.00 53.31 H new ATOM 0 HB2 SER A 12 13.076 0.974 -1.739 1.00 12.34 H new ATOM 0 HB3 SER A 12 14.214 2.304 -1.660 1.00 12.34 H new ATOM 0 HG SER A 12 14.584 0.293 0.266 1.00 24.44 H new ATOM 169 N TYR A 13 10.787 2.183 -0.798 1.00 64.43 N ATOM 170 CA TYR A 13 9.533 2.774 -1.218 1.00 13.14 C ATOM 171 C TYR A 13 8.871 3.513 -0.054 1.00 44.02 C ATOM 172 O TYR A 13 8.523 4.692 -0.166 1.00 21.24 O ATOM 173 CB TYR A 13 8.609 1.669 -1.784 1.00 62.22 C ATOM 174 CG TYR A 13 7.140 2.043 -1.878 1.00 74.52 C ATOM 175 CD1 TYR A 13 6.701 3.041 -2.731 1.00 53.34 C ATOM 176 CD2 TYR A 13 6.195 1.385 -1.096 1.00 24.31 C ATOM 177 CE1 TYR A 13 5.367 3.376 -2.799 1.00 61.30 C ATOM 178 CE2 TYR A 13 4.858 1.714 -1.164 1.00 72.31 C ATOM 179 CZ TYR A 13 4.451 2.712 -2.017 1.00 13.04 C ATOM 180 OH TYR A 13 3.122 3.055 -2.081 1.00 41.10 O ATOM 0 H TYR A 13 10.810 1.167 -0.886 1.00 64.43 H new ATOM 0 HA TYR A 13 9.721 3.506 -2.003 1.00 13.14 H new ATOM 0 HB2 TYR A 13 8.963 1.395 -2.778 1.00 62.22 H new ATOM 0 HB3 TYR A 13 8.703 0.782 -1.157 1.00 62.22 H new ATOM 0 HD1 TYR A 13 7.414 3.564 -3.351 1.00 53.34 H new ATOM 0 HD2 TYR A 13 6.515 0.603 -0.424 1.00 24.31 H new ATOM 0 HE1 TYR A 13 5.040 4.160 -3.466 1.00 61.30 H new ATOM 0 HE2 TYR A 13 4.137 1.192 -0.552 1.00 72.31 H new ATOM 0 HH TYR A 13 2.998 3.762 -2.749 1.00 41.10 H new ATOM 190 N VAL A 14 8.740 2.830 1.064 1.00 73.32 N ATOM 191 CA VAL A 14 8.091 3.388 2.232 1.00 54.42 C ATOM 192 C VAL A 14 8.852 4.600 2.793 1.00 10.05 C ATOM 193 O VAL A 14 8.245 5.597 3.153 1.00 23.05 O ATOM 194 CB VAL A 14 7.884 2.332 3.345 1.00 63.43 C ATOM 195 CG1 VAL A 14 7.248 2.973 4.558 1.00 41.44 C ATOM 196 CG2 VAL A 14 7.018 1.185 2.844 1.00 54.44 C ATOM 0 H VAL A 14 9.079 1.876 1.189 1.00 73.32 H new ATOM 0 HA VAL A 14 7.111 3.726 1.896 1.00 54.42 H new ATOM 0 HB VAL A 14 8.858 1.931 3.625 1.00 63.43 H new ATOM 0 HG11 VAL A 14 7.107 2.221 5.335 1.00 41.44 H new ATOM 0 HG12 VAL A 14 7.896 3.765 4.933 1.00 41.44 H new ATOM 0 HG13 VAL A 14 6.282 3.395 4.282 1.00 41.44 H new ATOM 0 HG21 VAL A 14 6.885 0.454 3.642 1.00 54.44 H new ATOM 0 HG22 VAL A 14 6.045 1.570 2.539 1.00 54.44 H new ATOM 0 HG23 VAL A 14 7.503 0.708 1.992 1.00 54.44 H new ATOM 206 N ASN A 15 10.168 4.512 2.842 1.00 1.20 N ATOM 207 CA ASN A 15 11.027 5.546 3.352 1.00 45.52 C ATOM 208 C ASN A 15 10.833 6.844 2.582 1.00 72.11 C ATOM 209 O ASN A 15 10.854 7.947 3.156 1.00 43.21 O ATOM 210 CB ASN A 15 12.441 5.091 3.158 1.00 42.11 C ATOM 211 CG ASN A 15 13.435 6.005 3.759 1.00 20.21 C ATOM 212 OD1 ASN A 15 13.195 6.638 4.794 1.00 1.15 O ATOM 213 ND2 ASN A 15 14.542 6.097 3.137 1.00 14.30 N ATOM 0 H ASN A 15 10.677 3.691 2.516 1.00 1.20 H new ATOM 0 HA ASN A 15 10.795 5.726 4.402 1.00 45.52 H new ATOM 0 HB2 ASN A 15 12.559 4.099 3.594 1.00 42.11 H new ATOM 0 HB3 ASN A 15 12.642 4.997 2.091 1.00 42.11 H new ATOM 0 HD21 ASN A 15 15.275 6.712 3.489 1.00 14.30 H new ATOM 0 HD22 ASN A 15 14.696 5.555 2.286 1.00 14.30 H new ATOM 220 N LYS A 16 10.635 6.699 1.290 1.00 14.31 N ATOM 221 CA LYS A 16 10.429 7.807 0.418 1.00 32.03 C ATOM 222 C LYS A 16 9.123 8.497 0.797 1.00 45.34 C ATOM 223 O LYS A 16 9.060 9.721 0.873 1.00 4.35 O ATOM 224 CB LYS A 16 10.406 7.300 -1.008 1.00 24.22 C ATOM 225 CG LYS A 16 10.409 8.356 -2.062 1.00 72.34 C ATOM 226 CD LYS A 16 10.516 7.700 -3.409 1.00 21.55 C ATOM 227 CE LYS A 16 10.665 8.705 -4.521 1.00 13.42 C ATOM 228 NZ LYS A 16 10.847 8.036 -5.822 1.00 33.13 N ATOM 0 H LYS A 16 10.614 5.793 0.822 1.00 14.31 H new ATOM 0 HA LYS A 16 11.233 8.537 0.508 1.00 32.03 H new ATOM 0 HB2 LYS A 16 11.272 6.655 -1.161 1.00 24.22 H new ATOM 0 HB3 LYS A 16 9.519 6.680 -1.141 1.00 24.22 H new ATOM 0 HG2 LYS A 16 9.497 8.949 -2.003 1.00 72.34 H new ATOM 0 HG3 LYS A 16 11.244 9.039 -1.908 1.00 72.34 H new ATOM 0 HD2 LYS A 16 11.371 7.024 -3.415 1.00 21.55 H new ATOM 0 HD3 LYS A 16 9.629 7.093 -3.587 1.00 21.55 H new ATOM 0 HE2 LYS A 16 9.783 9.344 -4.558 1.00 13.42 H new ATOM 0 HE3 LYS A 16 11.519 9.352 -4.319 1.00 13.42 H new ATOM 0 HZ1 LYS A 16 10.761 8.735 -6.587 1.00 33.13 H new ATOM 0 HZ2 LYS A 16 11.789 7.598 -5.858 1.00 33.13 H new ATOM 0 HZ3 LYS A 16 10.119 7.302 -5.940 1.00 33.13 H new ATOM 242 N ILE A 17 8.108 7.689 1.101 1.00 41.13 N ATOM 243 CA ILE A 17 6.826 8.178 1.554 1.00 33.32 C ATOM 244 C ILE A 17 7.006 8.892 2.893 1.00 60.54 C ATOM 245 O ILE A 17 6.509 10.001 3.080 1.00 22.34 O ATOM 246 CB ILE A 17 5.829 7.016 1.769 1.00 64.41 C ATOM 247 CG1 ILE A 17 5.666 6.171 0.508 1.00 61.31 C ATOM 248 CG2 ILE A 17 4.491 7.556 2.211 1.00 63.10 C ATOM 249 CD1 ILE A 17 4.750 4.979 0.703 1.00 31.32 C ATOM 0 H ILE A 17 8.162 6.672 1.036 1.00 41.13 H new ATOM 0 HA ILE A 17 6.435 8.853 0.793 1.00 33.32 H new ATOM 0 HB ILE A 17 6.234 6.371 2.549 1.00 64.41 H new ATOM 0 HG12 ILE A 17 5.272 6.797 -0.293 1.00 61.31 H new ATOM 0 HG13 ILE A 17 6.646 5.819 0.185 1.00 61.31 H new ATOM 0 HG21 ILE A 17 3.796 6.729 2.360 1.00 63.10 H new ATOM 0 HG22 ILE A 17 4.610 8.102 3.147 1.00 63.10 H new ATOM 0 HG23 ILE A 17 4.099 8.227 1.447 1.00 63.10 H new ATOM 0 HD11 ILE A 17 4.677 4.420 -0.230 1.00 31.32 H new ATOM 0 HD12 ILE A 17 5.154 4.333 1.482 1.00 31.32 H new ATOM 0 HD13 ILE A 17 3.759 5.326 0.997 1.00 31.32 H new ATOM 261 N LYS A 18 7.754 8.238 3.804 1.00 51.51 N ATOM 262 CA LYS A 18 8.026 8.760 5.146 1.00 5.34 C ATOM 263 C LYS A 18 8.524 10.187 5.071 1.00 51.25 C ATOM 264 O LYS A 18 8.027 11.035 5.758 1.00 25.05 O ATOM 265 CB LYS A 18 9.084 7.924 5.904 1.00 72.50 C ATOM 266 CG LYS A 18 8.731 6.503 6.180 1.00 74.11 C ATOM 267 CD LYS A 18 9.803 5.847 7.021 1.00 14.14 C ATOM 268 CE LYS A 18 9.576 4.366 7.093 1.00 74.22 C ATOM 269 NZ LYS A 18 10.505 3.695 8.030 1.00 44.45 N ATOM 0 H LYS A 18 8.185 7.331 3.623 1.00 51.51 H new ATOM 0 HA LYS A 18 7.082 8.707 5.688 1.00 5.34 H new ATOM 0 HB2 LYS A 18 10.009 7.941 5.328 1.00 72.50 H new ATOM 0 HB3 LYS A 18 9.291 8.416 6.855 1.00 72.50 H new ATOM 0 HG2 LYS A 18 7.773 6.454 6.697 1.00 74.11 H new ATOM 0 HG3 LYS A 18 8.614 5.962 5.241 1.00 74.11 H new ATOM 0 HD2 LYS A 18 10.785 6.051 6.594 1.00 14.14 H new ATOM 0 HD3 LYS A 18 9.798 6.272 8.025 1.00 14.14 H new ATOM 0 HE2 LYS A 18 8.549 4.174 7.404 1.00 74.22 H new ATOM 0 HE3 LYS A 18 9.694 3.935 6.099 1.00 74.22 H new ATOM 0 HZ1 LYS A 18 10.307 2.674 8.043 1.00 44.45 H new ATOM 0 HZ2 LYS A 18 11.485 3.854 7.720 1.00 44.45 H new ATOM 0 HZ3 LYS A 18 10.376 4.085 8.985 1.00 44.45 H new ATOM 283 N THR A 19 9.490 10.415 4.205 1.00 74.33 N ATOM 284 CA THR A 19 10.112 11.683 3.991 1.00 11.35 C ATOM 285 C THR A 19 9.188 12.666 3.230 1.00 64.14 C ATOM 286 O THR A 19 9.027 13.824 3.626 1.00 20.31 O ATOM 287 CB THR A 19 11.403 11.410 3.195 1.00 34.24 C ATOM 288 OG1 THR A 19 12.425 10.855 4.031 1.00 31.15 O ATOM 289 CG2 THR A 19 11.890 12.600 2.432 1.00 50.04 C ATOM 0 H THR A 19 9.872 9.680 3.609 1.00 74.33 H new ATOM 0 HA THR A 19 10.328 12.162 4.946 1.00 11.35 H new ATOM 0 HB THR A 19 11.146 10.664 2.443 1.00 34.24 H new ATOM 0 HG1 THR A 19 13.231 10.691 3.498 1.00 31.15 H new ATOM 0 HG21 THR A 19 12.802 12.339 1.894 1.00 50.04 H new ATOM 0 HG22 THR A 19 11.126 12.914 1.721 1.00 50.04 H new ATOM 0 HG23 THR A 19 12.098 13.416 3.124 1.00 50.04 H new ATOM 297 N ARG A 20 8.576 12.200 2.170 1.00 24.52 N ATOM 298 CA ARG A 20 7.744 13.045 1.332 1.00 31.32 C ATOM 299 C ARG A 20 6.484 13.509 2.020 1.00 45.23 C ATOM 300 O ARG A 20 5.860 14.505 1.627 1.00 13.45 O ATOM 301 CB ARG A 20 7.463 12.350 0.016 1.00 30.33 C ATOM 302 CG ARG A 20 8.652 12.388 -0.955 1.00 13.03 C ATOM 303 CD ARG A 20 8.873 13.783 -1.568 1.00 41.23 C ATOM 304 NE ARG A 20 9.284 14.814 -0.586 1.00 40.30 N ATOM 305 CZ ARG A 20 8.559 15.903 -0.243 1.00 4.24 C ATOM 306 NH1 ARG A 20 7.309 16.044 -0.674 1.00 32.41 N ATOM 307 NH2 ARG A 20 9.082 16.822 0.563 1.00 34.14 N ATOM 0 H ARG A 20 8.636 11.230 1.860 1.00 24.52 H new ATOM 0 HA ARG A 20 8.302 13.959 1.127 1.00 31.32 H new ATOM 0 HB2 ARG A 20 7.195 11.312 0.211 1.00 30.33 H new ATOM 0 HB3 ARG A 20 6.600 12.818 -0.458 1.00 30.33 H new ATOM 0 HG2 ARG A 20 9.555 12.079 -0.429 1.00 13.03 H new ATOM 0 HG3 ARG A 20 8.486 11.666 -1.755 1.00 13.03 H new ATOM 0 HD2 ARG A 20 9.635 13.711 -2.344 1.00 41.23 H new ATOM 0 HD3 ARG A 20 7.952 14.105 -2.054 1.00 41.23 H new ATOM 0 HE ARG A 20 10.189 14.692 -0.131 1.00 40.30 H new ATOM 0 HH11 ARG A 20 6.890 15.328 -1.268 1.00 32.41 H new ATOM 0 HH12 ARG A 20 6.769 16.868 -0.411 1.00 32.41 H new ATOM 0 HH21 ARG A 20 10.030 16.706 0.922 1.00 34.14 H new ATOM 0 HH22 ARG A 20 8.536 17.644 0.822 1.00 34.14 H new ATOM 321 N PHE A 21 6.119 12.808 3.037 1.00 34.02 N ATOM 322 CA PHE A 21 4.981 13.133 3.825 1.00 10.23 C ATOM 323 C PHE A 21 5.406 13.168 5.276 1.00 21.21 C ATOM 324 O PHE A 21 4.649 12.844 6.178 1.00 35.05 O ATOM 325 CB PHE A 21 3.881 12.099 3.564 1.00 63.42 C ATOM 326 CG PHE A 21 3.462 12.062 2.112 1.00 44.13 C ATOM 327 CD1 PHE A 21 2.485 12.913 1.644 1.00 12.24 C ATOM 328 CD2 PHE A 21 4.064 11.189 1.217 1.00 5.51 C ATOM 329 CE1 PHE A 21 2.107 12.900 0.321 1.00 42.01 C ATOM 330 CE2 PHE A 21 3.696 11.169 -0.102 1.00 51.34 C ATOM 331 CZ PHE A 21 2.714 12.027 -0.556 1.00 64.42 C ATOM 0 H PHE A 21 6.615 11.974 3.351 1.00 34.02 H new ATOM 0 HA PHE A 21 4.577 14.111 3.564 1.00 10.23 H new ATOM 0 HB2 PHE A 21 4.234 11.112 3.863 1.00 63.42 H new ATOM 0 HB3 PHE A 21 3.015 12.329 4.184 1.00 63.42 H new ATOM 0 HD1 PHE A 21 2.008 13.601 2.326 1.00 12.24 H new ATOM 0 HD2 PHE A 21 4.833 10.516 1.565 1.00 5.51 H new ATOM 0 HE1 PHE A 21 1.337 13.572 -0.029 1.00 42.01 H new ATOM 0 HE2 PHE A 21 4.173 10.483 -0.786 1.00 51.34 H new ATOM 0 HZ PHE A 21 2.422 12.014 -1.596 1.00 64.42 H new ATOM 341 N LEU A 22 6.640 13.608 5.491 1.00 21.10 N ATOM 342 CA LEU A 22 7.234 13.700 6.810 1.00 43.13 C ATOM 343 C LEU A 22 6.514 14.749 7.631 1.00 55.11 C ATOM 344 O LEU A 22 6.216 14.555 8.816 1.00 31.04 O ATOM 345 CB LEU A 22 8.721 14.049 6.662 1.00 11.55 C ATOM 346 CG LEU A 22 9.731 13.078 7.220 1.00 32.40 C ATOM 347 CD1 LEU A 22 11.141 13.592 7.021 1.00 21.34 C ATOM 348 CD2 LEU A 22 9.459 12.835 8.650 1.00 63.34 C ATOM 0 H LEU A 22 7.260 13.914 4.741 1.00 21.10 H new ATOM 0 HA LEU A 22 7.141 12.745 7.327 1.00 43.13 H new ATOM 0 HB2 LEU A 22 8.931 14.177 5.600 1.00 11.55 H new ATOM 0 HB3 LEU A 22 8.887 15.015 7.138 1.00 11.55 H new ATOM 0 HG LEU A 22 9.642 12.135 6.681 1.00 32.40 H new ATOM 0 HD11 LEU A 22 11.851 12.874 7.432 1.00 21.34 H new ATOM 0 HD12 LEU A 22 11.333 13.724 5.956 1.00 21.34 H new ATOM 0 HD13 LEU A 22 11.255 14.548 7.532 1.00 21.34 H new ATOM 0 HD21 LEU A 22 10.193 12.133 9.046 1.00 63.34 H new ATOM 0 HD22 LEU A 22 9.524 13.775 9.198 1.00 63.34 H new ATOM 0 HD23 LEU A 22 8.459 12.417 8.764 1.00 63.34 H new ATOM 360 N ASP A 23 6.194 15.834 6.974 1.00 42.43 N ATOM 361 CA ASP A 23 5.496 16.950 7.589 1.00 15.05 C ATOM 362 C ASP A 23 3.976 16.705 7.587 1.00 55.32 C ATOM 363 O ASP A 23 3.192 17.506 8.082 1.00 11.12 O ATOM 364 CB ASP A 23 5.876 18.251 6.851 1.00 52.13 C ATOM 365 CG ASP A 23 5.202 19.505 7.375 1.00 4.33 C ATOM 366 OD1 ASP A 23 5.404 19.862 8.556 1.00 25.42 O ATOM 367 OD2 ASP A 23 4.466 20.161 6.601 1.00 11.00 O ATOM 0 H ASP A 23 6.410 15.976 5.987 1.00 42.43 H new ATOM 0 HA ASP A 23 5.797 17.047 8.632 1.00 15.05 H new ATOM 0 HB2 ASP A 23 6.956 18.384 6.913 1.00 52.13 H new ATOM 0 HB3 ASP A 23 5.629 18.138 5.795 1.00 52.13 H new ATOM 372 N HIS A 24 3.569 15.566 7.061 1.00 52.00 N ATOM 373 CA HIS A 24 2.169 15.209 7.012 1.00 21.10 C ATOM 374 C HIS A 24 1.951 13.786 7.526 1.00 1.11 C ATOM 375 O HIS A 24 1.798 12.843 6.736 1.00 62.31 O ATOM 376 CB HIS A 24 1.615 15.343 5.600 1.00 53.30 C ATOM 377 CG HIS A 24 1.477 16.745 5.095 1.00 15.11 C ATOM 378 ND1 HIS A 24 2.376 17.355 4.250 1.00 75.03 N ATOM 379 CD2 HIS A 24 0.490 17.643 5.298 1.00 64.02 C ATOM 380 CE1 HIS A 24 1.922 18.574 3.970 1.00 63.11 C ATOM 381 NE2 HIS A 24 0.771 18.803 4.585 1.00 10.14 N ATOM 0 H HIS A 24 4.196 14.869 6.659 1.00 52.00 H new ATOM 0 HA HIS A 24 1.632 15.902 7.660 1.00 21.10 H new ATOM 0 HB2 HIS A 24 2.264 14.792 4.919 1.00 53.30 H new ATOM 0 HB3 HIS A 24 0.636 14.864 5.565 1.00 53.30 H new ATOM 0 HD2 HIS A 24 -0.381 17.485 5.917 1.00 64.02 H new ATOM 0 HE1 HIS A 24 2.424 19.282 3.327 1.00 63.11 H new ATOM 0 HE2 HIS A 24 0.209 19.653 4.544 1.00 10.14 H new ATOM 389 N PRO A 25 1.922 13.604 8.858 1.00 15.15 N ATOM 390 CA PRO A 25 1.815 12.276 9.474 1.00 24.40 C ATOM 391 C PRO A 25 0.504 11.578 9.117 1.00 51.45 C ATOM 392 O PRO A 25 0.479 10.374 8.846 1.00 61.52 O ATOM 393 CB PRO A 25 1.877 12.563 10.983 1.00 52.21 C ATOM 394 CG PRO A 25 2.420 13.945 11.106 1.00 33.12 C ATOM 395 CD PRO A 25 1.985 14.674 9.875 1.00 53.23 C ATOM 0 HA PRO A 25 2.602 11.606 9.127 1.00 24.40 H new ATOM 0 HB2 PRO A 25 0.889 12.488 11.437 1.00 52.21 H new ATOM 0 HB3 PRO A 25 2.517 11.843 11.493 1.00 52.21 H new ATOM 0 HG2 PRO A 25 2.040 14.434 12.003 1.00 33.12 H new ATOM 0 HG3 PRO A 25 3.507 13.931 11.187 1.00 33.12 H new ATOM 0 HD2 PRO A 25 1.018 15.157 10.013 1.00 53.23 H new ATOM 0 HD3 PRO A 25 2.694 15.454 9.597 1.00 53.23 H new ATOM 403 N GLU A 26 -0.566 12.358 9.065 1.00 41.51 N ATOM 404 CA GLU A 26 -1.909 11.876 8.781 1.00 41.41 C ATOM 405 C GLU A 26 -1.992 11.085 7.460 1.00 50.13 C ATOM 406 O GLU A 26 -2.693 10.088 7.371 1.00 20.42 O ATOM 407 CB GLU A 26 -2.869 13.060 8.737 1.00 71.11 C ATOM 408 CG GLU A 26 -2.518 14.079 7.670 1.00 4.31 C ATOM 409 CD GLU A 26 -3.495 15.210 7.586 1.00 20.41 C ATOM 410 OE1 GLU A 26 -3.384 16.183 8.362 1.00 32.22 O ATOM 411 OE2 GLU A 26 -4.404 15.148 6.749 1.00 21.10 O ATOM 0 H GLU A 26 -0.523 13.365 9.222 1.00 41.51 H new ATOM 0 HA GLU A 26 -2.186 11.188 9.580 1.00 41.41 H new ATOM 0 HB2 GLU A 26 -3.880 12.693 8.560 1.00 71.11 H new ATOM 0 HB3 GLU A 26 -2.874 13.551 9.710 1.00 71.11 H new ATOM 0 HG2 GLU A 26 -1.525 14.480 7.873 1.00 4.31 H new ATOM 0 HG3 GLU A 26 -2.468 13.579 6.703 1.00 4.31 H new ATOM 418 N ILE A 27 -1.232 11.518 6.475 1.00 54.15 N ATOM 419 CA ILE A 27 -1.239 10.935 5.142 1.00 33.44 C ATOM 420 C ILE A 27 -0.635 9.552 5.181 1.00 54.32 C ATOM 421 O ILE A 27 -1.214 8.592 4.668 1.00 2.11 O ATOM 422 CB ILE A 27 -0.449 11.853 4.184 1.00 62.42 C ATOM 423 CG1 ILE A 27 -1.129 13.231 4.168 1.00 65.04 C ATOM 424 CG2 ILE A 27 -0.347 11.257 2.775 1.00 31.20 C ATOM 425 CD1 ILE A 27 -0.538 14.201 3.194 1.00 32.20 C ATOM 0 H ILE A 27 -0.581 12.297 6.576 1.00 54.15 H new ATOM 0 HA ILE A 27 -2.264 10.847 4.782 1.00 33.44 H new ATOM 0 HB ILE A 27 0.576 11.953 4.541 1.00 62.42 H new ATOM 0 HG12 ILE A 27 -2.185 13.099 3.934 1.00 65.04 H new ATOM 0 HG13 ILE A 27 -1.075 13.661 5.168 1.00 65.04 H new ATOM 0 HG21 ILE A 27 0.216 11.935 2.133 1.00 31.20 H new ATOM 0 HG22 ILE A 27 0.163 10.295 2.823 1.00 31.20 H new ATOM 0 HG23 ILE A 27 -1.348 11.117 2.366 1.00 31.20 H new ATOM 0 HD11 ILE A 27 -1.078 15.146 3.249 1.00 32.20 H new ATOM 0 HD12 ILE A 27 0.511 14.368 3.438 1.00 32.20 H new ATOM 0 HD13 ILE A 27 -0.616 13.797 2.185 1.00 32.20 H new ATOM 437 N TYR A 28 0.485 9.455 5.860 1.00 40.43 N ATOM 438 CA TYR A 28 1.208 8.210 6.029 1.00 63.04 C ATOM 439 C TYR A 28 0.297 7.210 6.744 1.00 13.13 C ATOM 440 O TYR A 28 0.080 6.094 6.284 1.00 51.42 O ATOM 441 CB TYR A 28 2.439 8.487 6.902 1.00 51.15 C ATOM 442 CG TYR A 28 3.454 7.365 6.984 1.00 70.03 C ATOM 443 CD1 TYR A 28 4.436 7.213 6.012 1.00 71.14 C ATOM 444 CD2 TYR A 28 3.438 6.472 8.039 1.00 4.43 C ATOM 445 CE1 TYR A 28 5.359 6.197 6.093 1.00 61.30 C ATOM 446 CE2 TYR A 28 4.365 5.456 8.129 1.00 54.32 C ATOM 447 CZ TYR A 28 5.317 5.319 7.156 1.00 2.42 C ATOM 448 OH TYR A 28 6.243 4.311 7.253 1.00 50.22 O ATOM 0 H TYR A 28 0.929 10.251 6.319 1.00 40.43 H new ATOM 0 HA TYR A 28 1.514 7.805 5.064 1.00 63.04 H new ATOM 0 HB2 TYR A 28 2.939 9.377 6.520 1.00 51.15 H new ATOM 0 HB3 TYR A 28 2.100 8.720 7.912 1.00 51.15 H new ATOM 0 HD1 TYR A 28 4.475 7.902 5.182 1.00 71.14 H new ATOM 0 HD2 TYR A 28 2.685 6.572 8.807 1.00 4.43 H new ATOM 0 HE1 TYR A 28 6.113 6.087 5.328 1.00 61.30 H new ATOM 0 HE2 TYR A 28 4.340 4.771 8.964 1.00 54.32 H new ATOM 0 HH TYR A 28 6.071 3.785 8.062 1.00 50.22 H new ATOM 458 N ARG A 29 -0.283 7.673 7.831 1.00 14.05 N ATOM 459 CA ARG A 29 -1.119 6.863 8.702 1.00 3.22 C ATOM 460 C ARG A 29 -2.407 6.401 8.030 1.00 64.52 C ATOM 461 O ARG A 29 -2.817 5.245 8.186 1.00 21.12 O ATOM 462 CB ARG A 29 -1.428 7.638 9.952 1.00 33.41 C ATOM 463 CG ARG A 29 -0.194 7.945 10.748 1.00 63.34 C ATOM 464 CD ARG A 29 -0.451 9.050 11.712 1.00 44.12 C ATOM 465 NE ARG A 29 0.758 9.416 12.459 1.00 4.21 N ATOM 466 CZ ARG A 29 0.806 10.295 13.467 1.00 23.03 C ATOM 467 NH1 ARG A 29 -0.297 10.915 13.865 1.00 53.41 N ATOM 468 NH2 ARG A 29 1.967 10.574 14.057 1.00 13.22 N ATOM 0 H ARG A 29 -0.187 8.639 8.143 1.00 14.05 H new ATOM 0 HA ARG A 29 -0.561 5.959 8.946 1.00 3.22 H new ATOM 0 HB2 ARG A 29 -1.928 8.569 9.686 1.00 33.41 H new ATOM 0 HB3 ARG A 29 -2.123 7.068 10.568 1.00 33.41 H new ATOM 0 HG2 ARG A 29 0.129 7.054 11.286 1.00 63.34 H new ATOM 0 HG3 ARG A 29 0.618 8.223 10.076 1.00 63.34 H new ATOM 0 HD2 ARG A 29 -0.823 9.922 11.174 1.00 44.12 H new ATOM 0 HD3 ARG A 29 -1.232 8.749 12.410 1.00 44.12 H new ATOM 0 HE ARG A 29 1.632 8.964 12.188 1.00 4.21 H new ATOM 0 HH11 ARG A 29 -1.185 10.722 13.402 1.00 53.41 H new ATOM 0 HH12 ARG A 29 -0.257 11.584 14.634 1.00 53.41 H new ATOM 0 HH21 ARG A 29 2.822 10.117 13.741 1.00 13.22 H new ATOM 0 HH22 ARG A 29 2.001 11.244 14.825 1.00 13.22 H new ATOM 482 N SER A 30 -3.043 7.293 7.293 1.00 50.13 N ATOM 483 CA SER A 30 -4.272 6.971 6.580 1.00 10.42 C ATOM 484 C SER A 30 -4.007 5.960 5.474 1.00 42.23 C ATOM 485 O SER A 30 -4.876 5.212 5.084 1.00 35.21 O ATOM 486 CB SER A 30 -4.924 8.236 6.030 1.00 31.00 C ATOM 487 OG SER A 30 -5.190 9.158 7.091 1.00 0.30 O ATOM 0 H SER A 30 -2.728 8.255 7.170 1.00 50.13 H new ATOM 0 HA SER A 30 -4.968 6.516 7.285 1.00 10.42 H new ATOM 0 HB2 SER A 30 -4.269 8.699 5.292 1.00 31.00 H new ATOM 0 HB3 SER A 30 -5.852 7.982 5.518 1.00 31.00 H new ATOM 0 HG SER A 30 -4.367 9.637 7.322 1.00 0.30 H new ATOM 493 N PHE A 31 -2.823 5.982 4.935 1.00 44.41 N ATOM 494 CA PHE A 31 -2.441 4.979 3.989 1.00 3.31 C ATOM 495 C PHE A 31 -2.139 3.623 4.655 1.00 51.34 C ATOM 496 O PHE A 31 -2.526 2.572 4.138 1.00 63.03 O ATOM 497 CB PHE A 31 -1.297 5.455 3.112 1.00 73.22 C ATOM 498 CG PHE A 31 -0.549 4.325 2.486 1.00 2.03 C ATOM 499 CD1 PHE A 31 -1.074 3.654 1.400 1.00 5.45 C ATOM 500 CD2 PHE A 31 0.657 3.907 3.021 1.00 64.04 C ATOM 501 CE1 PHE A 31 -0.413 2.585 0.850 1.00 52.24 C ATOM 502 CE2 PHE A 31 1.331 2.834 2.479 1.00 51.32 C ATOM 503 CZ PHE A 31 0.796 2.168 1.388 1.00 2.34 C ATOM 0 H PHE A 31 -2.108 6.682 5.134 1.00 44.41 H new ATOM 0 HA PHE A 31 -3.300 4.810 3.340 1.00 3.31 H new ATOM 0 HB2 PHE A 31 -1.689 6.105 2.330 1.00 73.22 H new ATOM 0 HB3 PHE A 31 -0.610 6.054 3.710 1.00 73.22 H new ATOM 0 HD1 PHE A 31 -2.015 3.974 0.979 1.00 5.45 H new ATOM 0 HD2 PHE A 31 1.074 4.427 3.871 1.00 64.04 H new ATOM 0 HE1 PHE A 31 -0.833 2.069 -0.001 1.00 52.24 H new ATOM 0 HE2 PHE A 31 2.271 2.514 2.903 1.00 51.32 H new ATOM 0 HZ PHE A 31 1.319 1.327 0.958 1.00 2.34 H new ATOM 513 N LEU A 32 -1.448 3.659 5.788 1.00 70.02 N ATOM 514 CA LEU A 32 -1.054 2.455 6.531 1.00 71.52 C ATOM 515 C LEU A 32 -2.235 1.546 6.793 1.00 60.54 C ATOM 516 O LEU A 32 -2.156 0.317 6.632 1.00 33.23 O ATOM 517 CB LEU A 32 -0.439 2.863 7.859 1.00 70.25 C ATOM 518 CG LEU A 32 0.882 3.595 7.809 1.00 70.10 C ATOM 519 CD1 LEU A 32 1.318 3.912 9.214 1.00 63.22 C ATOM 520 CD2 LEU A 32 1.945 2.774 7.077 1.00 21.03 C ATOM 0 H LEU A 32 -1.140 4.528 6.225 1.00 70.02 H new ATOM 0 HA LEU A 32 -0.332 1.908 5.924 1.00 71.52 H new ATOM 0 HB2 LEU A 32 -1.156 3.494 8.384 1.00 70.25 H new ATOM 0 HB3 LEU A 32 -0.305 1.964 8.460 1.00 70.25 H new ATOM 0 HG LEU A 32 0.756 4.522 7.250 1.00 70.10 H new ATOM 0 HD11 LEU A 32 2.271 4.441 9.189 1.00 63.22 H new ATOM 0 HD12 LEU A 32 0.568 4.539 9.695 1.00 63.22 H new ATOM 0 HD13 LEU A 32 1.432 2.986 9.777 1.00 63.22 H new ATOM 0 HD21 LEU A 32 2.883 3.328 7.058 1.00 21.03 H new ATOM 0 HD22 LEU A 32 2.093 1.826 7.595 1.00 21.03 H new ATOM 0 HD23 LEU A 32 1.617 2.582 6.056 1.00 21.03 H new ATOM 532 N GLU A 33 -3.335 2.164 7.126 1.00 45.20 N ATOM 533 CA GLU A 33 -4.539 1.472 7.471 1.00 0.24 C ATOM 534 C GLU A 33 -5.099 0.694 6.272 1.00 63.11 C ATOM 535 O GLU A 33 -5.715 -0.344 6.440 1.00 40.33 O ATOM 536 CB GLU A 33 -5.546 2.468 8.011 1.00 14.55 C ATOM 537 CG GLU A 33 -6.173 3.378 6.974 1.00 72.04 C ATOM 538 CD GLU A 33 -7.143 4.345 7.577 1.00 1.12 C ATOM 539 OE1 GLU A 33 -6.719 5.324 8.221 1.00 34.20 O ATOM 540 OE2 GLU A 33 -8.369 4.143 7.410 1.00 13.32 O ATOM 0 H GLU A 33 -3.418 3.180 7.165 1.00 45.20 H new ATOM 0 HA GLU A 33 -4.321 0.736 8.245 1.00 0.24 H new ATOM 0 HB2 GLU A 33 -6.340 1.919 8.517 1.00 14.55 H new ATOM 0 HB3 GLU A 33 -5.055 3.085 8.763 1.00 14.55 H new ATOM 0 HG2 GLU A 33 -5.388 3.930 6.456 1.00 72.04 H new ATOM 0 HG3 GLU A 33 -6.685 2.773 6.225 1.00 72.04 H new ATOM 547 N ILE A 34 -4.828 1.186 5.069 1.00 55.54 N ATOM 548 CA ILE A 34 -5.276 0.586 3.850 1.00 42.34 C ATOM 549 C ILE A 34 -4.549 -0.717 3.622 1.00 2.23 C ATOM 550 O ILE A 34 -5.151 -1.711 3.254 1.00 10.41 O ATOM 551 CB ILE A 34 -5.022 1.557 2.677 1.00 61.43 C ATOM 552 CG1 ILE A 34 -5.848 2.827 2.902 1.00 75.40 C ATOM 553 CG2 ILE A 34 -5.329 0.905 1.328 1.00 12.51 C ATOM 554 CD1 ILE A 34 -5.528 3.951 1.966 1.00 23.35 C ATOM 0 H ILE A 34 -4.277 2.033 4.927 1.00 55.54 H new ATOM 0 HA ILE A 34 -6.344 0.380 3.915 1.00 42.34 H new ATOM 0 HB ILE A 34 -3.965 1.821 2.648 1.00 61.43 H new ATOM 0 HG12 ILE A 34 -6.905 2.580 2.804 1.00 75.40 H new ATOM 0 HG13 ILE A 34 -5.694 3.169 3.926 1.00 75.40 H new ATOM 0 HG21 ILE A 34 -5.138 1.619 0.527 1.00 12.51 H new ATOM 0 HG22 ILE A 34 -4.693 0.030 1.193 1.00 12.51 H new ATOM 0 HG23 ILE A 34 -6.375 0.600 1.301 1.00 12.51 H new ATOM 0 HD11 ILE A 34 -6.160 4.809 2.198 1.00 23.35 H new ATOM 0 HD12 ILE A 34 -4.481 4.231 2.078 1.00 23.35 H new ATOM 0 HD13 ILE A 34 -5.710 3.633 0.940 1.00 23.35 H new ATOM 566 N LEU A 35 -3.264 -0.726 3.898 1.00 25.33 N ATOM 567 CA LEU A 35 -2.467 -1.898 3.711 1.00 71.22 C ATOM 568 C LEU A 35 -2.886 -2.948 4.752 1.00 4.24 C ATOM 569 O LEU A 35 -2.945 -4.143 4.466 1.00 25.41 O ATOM 570 CB LEU A 35 -1.002 -1.512 3.858 1.00 13.15 C ATOM 571 CG LEU A 35 0.047 -2.364 3.125 1.00 61.44 C ATOM 572 CD1 LEU A 35 0.140 -3.785 3.664 1.00 42.40 C ATOM 573 CD2 LEU A 35 -0.222 -2.381 1.624 1.00 35.35 C ATOM 0 H LEU A 35 -2.752 0.080 4.257 1.00 25.33 H new ATOM 0 HA LEU A 35 -2.612 -2.326 2.719 1.00 71.22 H new ATOM 0 HB2 LEU A 35 -0.892 -0.482 3.518 1.00 13.15 H new ATOM 0 HB3 LEU A 35 -0.759 -1.524 4.920 1.00 13.15 H new ATOM 0 HG LEU A 35 1.012 -1.892 3.311 1.00 61.44 H new ATOM 0 HD11 LEU A 35 0.897 -4.337 3.107 1.00 42.40 H new ATOM 0 HD12 LEU A 35 0.414 -3.757 4.719 1.00 42.40 H new ATOM 0 HD13 LEU A 35 -0.825 -4.280 3.553 1.00 42.40 H new ATOM 0 HD21 LEU A 35 0.533 -2.990 1.126 1.00 35.35 H new ATOM 0 HD22 LEU A 35 -1.210 -2.802 1.436 1.00 35.35 H new ATOM 0 HD23 LEU A 35 -0.181 -1.363 1.236 1.00 35.35 H new ATOM 585 N HIS A 36 -3.201 -2.490 5.945 1.00 73.22 N ATOM 586 CA HIS A 36 -3.693 -3.379 6.987 1.00 71.32 C ATOM 587 C HIS A 36 -5.056 -3.938 6.594 1.00 41.44 C ATOM 588 O HIS A 36 -5.288 -5.136 6.678 1.00 41.42 O ATOM 589 CB HIS A 36 -3.733 -2.676 8.343 1.00 45.21 C ATOM 590 CG HIS A 36 -2.370 -2.357 8.890 1.00 35.13 C ATOM 591 ND1 HIS A 36 -1.973 -1.109 9.318 1.00 40.30 N ATOM 592 CD2 HIS A 36 -1.304 -3.171 9.089 1.00 14.11 C ATOM 593 CE1 HIS A 36 -0.717 -1.195 9.750 1.00 44.13 C ATOM 594 NE2 HIS A 36 -0.257 -2.431 9.632 1.00 50.21 N ATOM 0 H HIS A 36 -3.127 -1.511 6.221 1.00 73.22 H new ATOM 0 HA HIS A 36 -3.002 -4.215 7.089 1.00 71.32 H new ATOM 0 HB2 HIS A 36 -4.304 -1.752 8.248 1.00 45.21 H new ATOM 0 HB3 HIS A 36 -4.264 -3.307 9.056 1.00 45.21 H new ATOM 0 HD2 HIS A 36 -1.272 -4.226 8.862 1.00 14.11 H new ATOM 0 HE1 HIS A 36 -0.148 -0.366 10.145 1.00 44.13 H new ATOM 0 HE2 HIS A 36 0.671 -2.770 9.886 1.00 50.21 H new ATOM 602 N THR A 37 -5.917 -3.057 6.123 1.00 52.10 N ATOM 603 CA THR A 37 -7.224 -3.387 5.570 1.00 72.34 C ATOM 604 C THR A 37 -7.118 -4.434 4.438 1.00 54.43 C ATOM 605 O THR A 37 -7.889 -5.411 4.385 1.00 73.24 O ATOM 606 CB THR A 37 -7.859 -2.069 5.048 1.00 0.43 C ATOM 607 OG1 THR A 37 -8.416 -1.310 6.134 1.00 42.22 O ATOM 608 CG2 THR A 37 -8.858 -2.254 3.909 1.00 4.11 C ATOM 0 H THR A 37 -5.723 -2.056 6.113 1.00 52.10 H new ATOM 0 HA THR A 37 -7.849 -3.833 6.343 1.00 72.34 H new ATOM 0 HB THR A 37 -7.043 -1.500 4.603 1.00 0.43 H new ATOM 0 HG1 THR A 37 -7.711 -0.776 6.555 1.00 42.22 H new ATOM 0 HG21 THR A 37 -9.251 -1.283 3.608 1.00 4.11 H new ATOM 0 HG22 THR A 37 -8.360 -2.723 3.060 1.00 4.11 H new ATOM 0 HG23 THR A 37 -9.678 -2.889 4.244 1.00 4.11 H new ATOM 616 N TYR A 38 -6.143 -4.239 3.586 1.00 70.42 N ATOM 617 CA TYR A 38 -5.900 -5.068 2.429 1.00 42.13 C ATOM 618 C TYR A 38 -5.630 -6.521 2.828 1.00 63.32 C ATOM 619 O TYR A 38 -6.129 -7.465 2.196 1.00 64.40 O ATOM 620 CB TYR A 38 -4.716 -4.483 1.660 1.00 12.03 C ATOM 621 CG TYR A 38 -4.457 -5.148 0.376 1.00 72.22 C ATOM 622 CD1 TYR A 38 -5.200 -4.798 -0.698 1.00 20.40 C ATOM 623 CD2 TYR A 38 -3.482 -6.123 0.237 1.00 2.40 C ATOM 624 CE1 TYR A 38 -5.004 -5.402 -1.932 1.00 42.34 C ATOM 625 CE2 TYR A 38 -3.267 -6.738 -0.980 1.00 2.13 C ATOM 626 CZ TYR A 38 -4.037 -6.374 -2.065 1.00 22.34 C ATOM 627 OH TYR A 38 -3.837 -6.980 -3.281 1.00 42.13 O ATOM 0 H TYR A 38 -5.474 -3.475 3.680 1.00 70.42 H new ATOM 0 HA TYR A 38 -6.787 -5.077 1.796 1.00 42.13 H new ATOM 0 HB2 TYR A 38 -4.899 -3.424 1.480 1.00 12.03 H new ATOM 0 HB3 TYR A 38 -3.822 -4.551 2.281 1.00 12.03 H new ATOM 0 HD1 TYR A 38 -5.958 -4.036 -0.594 1.00 20.40 H new ATOM 0 HD2 TYR A 38 -2.883 -6.405 1.091 1.00 2.40 H new ATOM 0 HE1 TYR A 38 -5.605 -5.112 -2.781 1.00 42.34 H new ATOM 0 HE2 TYR A 38 -2.504 -7.496 -1.082 1.00 2.13 H new ATOM 0 HH TYR A 38 -3.118 -7.641 -3.203 1.00 42.13 H new ATOM 637 N GLN A 39 -4.897 -6.676 3.908 1.00 52.34 N ATOM 638 CA GLN A 39 -4.502 -7.971 4.432 1.00 52.41 C ATOM 639 C GLN A 39 -5.687 -8.849 4.852 1.00 75.13 C ATOM 640 O GLN A 39 -5.558 -10.063 4.920 1.00 45.13 O ATOM 641 CB GLN A 39 -3.489 -7.802 5.551 1.00 12.42 C ATOM 642 CG GLN A 39 -2.123 -7.362 5.048 1.00 30.52 C ATOM 643 CD GLN A 39 -1.196 -6.922 6.153 1.00 62.23 C ATOM 644 OE1 GLN A 39 -0.469 -7.718 6.741 1.00 71.35 O ATOM 645 NE2 GLN A 39 -1.193 -5.648 6.423 1.00 52.43 N ATOM 0 H GLN A 39 -4.550 -5.892 4.460 1.00 52.34 H new ATOM 0 HA GLN A 39 -4.027 -8.513 3.615 1.00 52.41 H new ATOM 0 HB2 GLN A 39 -3.862 -7.068 6.265 1.00 12.42 H new ATOM 0 HB3 GLN A 39 -3.387 -8.745 6.088 1.00 12.42 H new ATOM 0 HG2 GLN A 39 -1.662 -8.185 4.502 1.00 30.52 H new ATOM 0 HG3 GLN A 39 -2.250 -6.542 4.341 1.00 30.52 H new ATOM 0 HE21 GLN A 39 -1.811 -5.017 5.913 1.00 52.43 H new ATOM 0 HE22 GLN A 39 -0.572 -5.281 7.144 1.00 52.43 H new ATOM 904 N GLU A 55 -8.730 -5.168 -4.950 1.00 11.13 N ATOM 905 CA GLU A 55 -7.510 -4.623 -5.543 1.00 54.30 C ATOM 906 C GLU A 55 -7.695 -3.264 -6.268 1.00 44.43 C ATOM 907 O GLU A 55 -6.903 -2.338 -6.057 1.00 44.32 O ATOM 908 CB GLU A 55 -7.011 -5.651 -6.528 1.00 1.20 C ATOM 909 CG GLU A 55 -5.629 -5.419 -7.026 1.00 54.23 C ATOM 910 CD GLU A 55 -5.295 -6.339 -8.161 1.00 73.21 C ATOM 911 OE1 GLU A 55 -5.175 -7.549 -7.942 1.00 72.00 O ATOM 912 OE2 GLU A 55 -5.212 -5.867 -9.300 1.00 2.14 O ATOM 0 HA GLU A 55 -6.806 -4.422 -4.736 1.00 54.30 H new ATOM 0 HB2 GLU A 55 -7.053 -6.634 -6.058 1.00 1.20 H new ATOM 0 HB3 GLU A 55 -7.690 -5.676 -7.380 1.00 1.20 H new ATOM 0 HG2 GLU A 55 -5.527 -4.384 -7.353 1.00 54.23 H new ATOM 0 HG3 GLU A 55 -4.918 -5.568 -6.213 1.00 54.23 H new ATOM 919 N GLU A 56 -8.725 -3.135 -7.082 1.00 11.43 N ATOM 920 CA GLU A 56 -8.961 -1.900 -7.817 1.00 1.45 C ATOM 921 C GLU A 56 -9.299 -0.747 -6.860 1.00 10.03 C ATOM 922 O GLU A 56 -8.735 0.352 -6.959 1.00 62.05 O ATOM 923 CB GLU A 56 -10.088 -2.099 -8.806 1.00 1.22 C ATOM 924 CG GLU A 56 -10.409 -0.890 -9.640 1.00 11.32 C ATOM 925 CD GLU A 56 -11.601 -1.129 -10.499 1.00 2.22 C ATOM 926 OE1 GLU A 56 -12.745 -0.976 -9.996 1.00 2.12 O ATOM 927 OE2 GLU A 56 -11.433 -1.487 -11.681 1.00 23.22 O ATOM 0 H GLU A 56 -9.413 -3.868 -7.253 1.00 11.43 H new ATOM 0 HA GLU A 56 -8.049 -1.640 -8.355 1.00 1.45 H new ATOM 0 HB2 GLU A 56 -9.830 -2.924 -9.470 1.00 1.22 H new ATOM 0 HB3 GLU A 56 -10.984 -2.397 -8.261 1.00 1.22 H new ATOM 0 HG2 GLU A 56 -10.592 -0.035 -8.990 1.00 11.32 H new ATOM 0 HG3 GLU A 56 -9.552 -0.638 -10.265 1.00 11.32 H new ATOM 934 N GLU A 57 -10.183 -1.009 -5.909 1.00 3.01 N ATOM 935 CA GLU A 57 -10.599 0.016 -4.974 1.00 62.14 C ATOM 936 C GLU A 57 -9.459 0.287 -3.983 1.00 1.43 C ATOM 937 O GLU A 57 -9.341 1.388 -3.442 1.00 55.42 O ATOM 938 CB GLU A 57 -11.890 -0.379 -4.261 1.00 12.24 C ATOM 939 CG GLU A 57 -11.666 -1.148 -3.016 1.00 64.32 C ATOM 940 CD GLU A 57 -12.915 -1.672 -2.409 1.00 20.04 C ATOM 941 OE1 GLU A 57 -13.632 -0.931 -1.718 1.00 23.41 O ATOM 942 OE2 GLU A 57 -13.209 -2.846 -2.598 1.00 31.43 O ATOM 0 H GLU A 57 -10.622 -1.919 -5.768 1.00 3.01 H new ATOM 0 HA GLU A 57 -10.814 0.936 -5.518 1.00 62.14 H new ATOM 0 HB2 GLU A 57 -12.456 0.522 -4.025 1.00 12.24 H new ATOM 0 HB3 GLU A 57 -12.504 -0.972 -4.939 1.00 12.24 H new ATOM 0 HG2 GLU A 57 -10.998 -1.982 -3.229 1.00 64.32 H new ATOM 0 HG3 GLU A 57 -11.159 -0.511 -2.291 1.00 64.32 H new ATOM 949 N VAL A 58 -8.609 -0.730 -3.785 1.00 61.34 N ATOM 950 CA VAL A 58 -7.432 -0.628 -2.981 1.00 23.51 C ATOM 951 C VAL A 58 -6.512 0.400 -3.583 1.00 42.13 C ATOM 952 O VAL A 58 -6.146 1.376 -2.928 1.00 54.42 O ATOM 953 CB VAL A 58 -6.705 -1.990 -2.919 1.00 71.43 C ATOM 954 CG1 VAL A 58 -5.321 -1.850 -2.356 1.00 20.11 C ATOM 955 CG2 VAL A 58 -7.495 -2.971 -2.098 1.00 21.04 C ATOM 0 H VAL A 58 -8.743 -1.654 -4.196 1.00 61.34 H new ATOM 0 HA VAL A 58 -7.715 -0.332 -1.971 1.00 23.51 H new ATOM 0 HB VAL A 58 -6.620 -2.363 -3.940 1.00 71.43 H new ATOM 0 HG11 VAL A 58 -4.839 -2.827 -2.327 1.00 20.11 H new ATOM 0 HG12 VAL A 58 -4.739 -1.177 -2.985 1.00 20.11 H new ATOM 0 HG13 VAL A 58 -5.378 -1.444 -1.346 1.00 20.11 H new ATOM 0 HG21 VAL A 58 -6.969 -3.925 -2.065 1.00 21.04 H new ATOM 0 HG22 VAL A 58 -7.613 -2.586 -1.085 1.00 21.04 H new ATOM 0 HG23 VAL A 58 -8.477 -3.114 -2.548 1.00 21.04 H new ATOM 965 N PHE A 59 -6.199 0.208 -4.861 1.00 64.22 N ATOM 966 CA PHE A 59 -5.327 1.106 -5.573 1.00 70.14 C ATOM 967 C PHE A 59 -5.934 2.496 -5.607 1.00 13.22 C ATOM 968 O PHE A 59 -5.224 3.483 -5.518 1.00 24.34 O ATOM 969 CB PHE A 59 -5.032 0.594 -6.992 1.00 2.04 C ATOM 970 CG PHE A 59 -4.068 1.470 -7.749 1.00 31.42 C ATOM 971 CD1 PHE A 59 -2.711 1.405 -7.489 1.00 74.33 C ATOM 972 CD2 PHE A 59 -4.522 2.366 -8.704 1.00 71.12 C ATOM 973 CE1 PHE A 59 -1.825 2.217 -8.163 1.00 75.21 C ATOM 974 CE2 PHE A 59 -3.640 3.178 -9.382 1.00 15.21 C ATOM 975 CZ PHE A 59 -2.289 3.105 -9.110 1.00 4.53 C ATOM 0 H PHE A 59 -6.545 -0.572 -5.420 1.00 64.22 H new ATOM 0 HA PHE A 59 -4.375 1.153 -5.045 1.00 70.14 H new ATOM 0 HB2 PHE A 59 -4.625 -0.415 -6.930 1.00 2.04 H new ATOM 0 HB3 PHE A 59 -5.967 0.527 -7.549 1.00 2.04 H new ATOM 0 HD1 PHE A 59 -2.342 0.710 -6.749 1.00 74.33 H new ATOM 0 HD2 PHE A 59 -5.579 2.428 -8.919 1.00 71.12 H new ATOM 0 HE1 PHE A 59 -0.768 2.158 -7.950 1.00 75.21 H new ATOM 0 HE2 PHE A 59 -4.005 3.871 -10.126 1.00 15.21 H new ATOM 0 HZ PHE A 59 -1.596 3.743 -9.638 1.00 4.53 H new ATOM 985 N THR A 60 -7.254 2.553 -5.673 1.00 62.43 N ATOM 986 CA THR A 60 -7.966 3.749 -5.665 1.00 44.41 C ATOM 987 C THR A 60 -7.719 4.553 -4.374 1.00 33.11 C ATOM 988 O THR A 60 -7.418 5.723 -4.453 1.00 43.11 O ATOM 989 CB THR A 60 -9.443 3.435 -5.837 1.00 11.14 C ATOM 990 OG1 THR A 60 -9.688 2.919 -7.164 1.00 32.30 O ATOM 991 CG2 THR A 60 -10.270 4.636 -5.568 1.00 63.43 C ATOM 0 H THR A 60 -7.846 1.724 -5.735 1.00 62.43 H new ATOM 0 HA THR A 60 -7.622 4.373 -6.490 1.00 44.41 H new ATOM 0 HB THR A 60 -9.727 2.671 -5.114 1.00 11.14 H new ATOM 0 HG1 THR A 60 -9.381 1.990 -7.215 1.00 32.30 H new ATOM 0 HG21 THR A 60 -11.324 4.389 -5.697 1.00 63.43 H new ATOM 0 HG22 THR A 60 -10.099 4.974 -4.546 1.00 63.43 H new ATOM 0 HG23 THR A 60 -9.996 5.430 -6.263 1.00 63.43 H new ATOM 999 N GLU A 61 -7.773 3.904 -3.207 1.00 1.12 N ATOM 1000 CA GLU A 61 -7.603 4.603 -1.941 1.00 65.53 C ATOM 1001 C GLU A 61 -6.185 5.120 -1.819 1.00 43.31 C ATOM 1002 O GLU A 61 -5.945 6.211 -1.317 1.00 42.35 O ATOM 1003 CB GLU A 61 -7.882 3.661 -0.799 1.00 2.43 C ATOM 1004 CG GLU A 61 -9.306 3.235 -0.719 1.00 72.54 C ATOM 1005 CD GLU A 61 -10.218 4.327 -0.237 1.00 50.23 C ATOM 1006 OE1 GLU A 61 -9.979 4.869 0.858 1.00 71.44 O ATOM 1007 OE2 GLU A 61 -11.223 4.610 -0.911 1.00 32.25 O ATOM 0 H GLU A 61 -7.933 2.900 -3.118 1.00 1.12 H new ATOM 0 HA GLU A 61 -8.299 5.441 -1.907 1.00 65.53 H new ATOM 0 HB2 GLU A 61 -7.252 2.778 -0.904 1.00 2.43 H new ATOM 0 HB3 GLU A 61 -7.602 4.144 0.137 1.00 2.43 H new ATOM 0 HG2 GLU A 61 -9.636 2.901 -1.703 1.00 72.54 H new ATOM 0 HG3 GLU A 61 -9.387 2.379 -0.049 1.00 72.54 H new ATOM 1014 N VAL A 62 -5.258 4.334 -2.316 1.00 21.31 N ATOM 1015 CA VAL A 62 -3.850 4.668 -2.272 1.00 41.43 C ATOM 1016 C VAL A 62 -3.541 5.799 -3.263 1.00 71.53 C ATOM 1017 O VAL A 62 -2.806 6.728 -2.951 1.00 73.20 O ATOM 1018 CB VAL A 62 -2.989 3.423 -2.564 1.00 51.23 C ATOM 1019 CG1 VAL A 62 -1.522 3.720 -2.383 1.00 32.32 C ATOM 1020 CG2 VAL A 62 -3.401 2.290 -1.648 1.00 23.20 C ATOM 0 H VAL A 62 -5.459 3.440 -2.765 1.00 21.31 H new ATOM 0 HA VAL A 62 -3.603 5.017 -1.269 1.00 41.43 H new ATOM 0 HB VAL A 62 -3.151 3.132 -3.602 1.00 51.23 H new ATOM 0 HG11 VAL A 62 -0.940 2.823 -2.596 1.00 32.32 H new ATOM 0 HG12 VAL A 62 -1.225 4.516 -3.066 1.00 32.32 H new ATOM 0 HG13 VAL A 62 -1.339 4.036 -1.356 1.00 32.32 H new ATOM 0 HG21 VAL A 62 -2.790 1.412 -1.858 1.00 23.20 H new ATOM 0 HG22 VAL A 62 -3.259 2.591 -0.610 1.00 23.20 H new ATOM 0 HG23 VAL A 62 -4.451 2.050 -1.816 1.00 23.20 H new ATOM 1030 N ALA A 63 -4.150 5.736 -4.436 1.00 22.02 N ATOM 1031 CA ALA A 63 -4.022 6.793 -5.441 1.00 64.50 C ATOM 1032 C ALA A 63 -4.721 8.052 -4.949 1.00 61.42 C ATOM 1033 O ALA A 63 -4.356 9.150 -5.274 1.00 22.32 O ATOM 1034 CB ALA A 63 -4.602 6.345 -6.770 1.00 31.13 C ATOM 0 H ALA A 63 -4.745 4.958 -4.723 1.00 22.02 H new ATOM 0 HA ALA A 63 -2.965 7.009 -5.594 1.00 64.50 H new ATOM 0 HB1 ALA A 63 -4.496 7.146 -7.502 1.00 31.13 H new ATOM 0 HB2 ALA A 63 -4.069 5.461 -7.120 1.00 31.13 H new ATOM 0 HB3 ALA A 63 -5.658 6.106 -6.644 1.00 31.13 H new ATOM 1040 N ASN A 64 -5.741 7.849 -4.176 1.00 1.14 N ATOM 1041 CA ASN A 64 -6.478 8.902 -3.503 1.00 15.22 C ATOM 1042 C ASN A 64 -5.640 9.548 -2.410 1.00 0.42 C ATOM 1043 O ASN A 64 -5.798 10.735 -2.101 1.00 32.43 O ATOM 1044 CB ASN A 64 -7.784 8.322 -2.985 1.00 74.32 C ATOM 1045 CG ASN A 64 -8.464 9.059 -1.861 1.00 24.25 C ATOM 1046 OD1 ASN A 64 -9.178 10.028 -2.073 1.00 63.32 O ATOM 1047 ND2 ASN A 64 -8.328 8.533 -0.672 1.00 14.45 N ATOM 0 H ASN A 64 -6.106 6.917 -3.981 1.00 1.14 H new ATOM 0 HA ASN A 64 -6.713 9.704 -4.203 1.00 15.22 H new ATOM 0 HB2 ASN A 64 -8.482 8.261 -3.820 1.00 74.32 H new ATOM 0 HB3 ASN A 64 -7.593 7.301 -2.654 1.00 74.32 H new ATOM 0 HD21 ASN A 64 -8.828 8.932 0.122 1.00 14.45 H new ATOM 0 HD22 ASN A 64 -7.722 7.724 -0.539 1.00 14.45 H new ATOM 1054 N LEU A 65 -4.748 8.775 -1.840 1.00 61.34 N ATOM 1055 CA LEU A 65 -3.865 9.258 -0.826 1.00 0.23 C ATOM 1056 C LEU A 65 -2.704 10.032 -1.485 1.00 51.14 C ATOM 1057 O LEU A 65 -2.429 11.175 -1.145 1.00 3.21 O ATOM 1058 CB LEU A 65 -3.254 8.085 -0.049 1.00 14.31 C ATOM 1059 CG LEU A 65 -3.053 8.278 1.461 1.00 74.21 C ATOM 1060 CD1 LEU A 65 -3.090 9.707 1.860 1.00 44.13 C ATOM 1061 CD2 LEU A 65 -4.061 7.537 2.236 1.00 4.11 C ATOM 0 H LEU A 65 -4.620 7.790 -2.073 1.00 61.34 H new ATOM 0 HA LEU A 65 -4.434 9.900 -0.153 1.00 0.23 H new ATOM 0 HB2 LEU A 65 -3.890 7.212 -0.197 1.00 14.31 H new ATOM 0 HB3 LEU A 65 -2.286 7.853 -0.493 1.00 14.31 H new ATOM 0 HG LEU A 65 -2.061 7.884 1.683 1.00 74.21 H new ATOM 0 HD11 LEU A 65 -2.943 9.788 2.937 1.00 44.13 H new ATOM 0 HD12 LEU A 65 -2.298 10.250 1.344 1.00 44.13 H new ATOM 0 HD13 LEU A 65 -4.056 10.135 1.593 1.00 44.13 H new ATOM 0 HD21 LEU A 65 -3.890 7.695 3.301 1.00 4.11 H new ATOM 0 HD22 LEU A 65 -5.057 7.893 1.972 1.00 4.11 H new ATOM 0 HD23 LEU A 65 -3.984 6.473 2.010 1.00 4.11 H new ATOM 1073 N PHE A 66 -2.052 9.396 -2.443 1.00 1.35 N ATOM 1074 CA PHE A 66 -0.835 9.937 -3.034 1.00 4.44 C ATOM 1075 C PHE A 66 -1.033 10.391 -4.483 1.00 23.13 C ATOM 1076 O PHE A 66 -0.132 10.222 -5.310 1.00 75.03 O ATOM 1077 CB PHE A 66 0.264 8.861 -3.009 1.00 72.11 C ATOM 1078 CG PHE A 66 0.540 8.267 -1.661 1.00 31.15 C ATOM 1079 CD1 PHE A 66 0.982 9.051 -0.618 1.00 21.50 C ATOM 1080 CD2 PHE A 66 0.350 6.917 -1.442 1.00 21.00 C ATOM 1081 CE1 PHE A 66 1.232 8.503 0.621 1.00 5.14 C ATOM 1082 CE2 PHE A 66 0.597 6.362 -0.208 1.00 4.13 C ATOM 1083 CZ PHE A 66 1.040 7.157 0.825 1.00 75.32 C ATOM 0 H PHE A 66 -2.345 8.500 -2.831 1.00 1.35 H new ATOM 0 HA PHE A 66 -0.553 10.809 -2.444 1.00 4.44 H new ATOM 0 HB2 PHE A 66 -0.018 8.059 -3.691 1.00 72.11 H new ATOM 0 HB3 PHE A 66 1.186 9.297 -3.393 1.00 72.11 H new ATOM 0 HD1 PHE A 66 1.134 10.109 -0.774 1.00 21.50 H new ATOM 0 HD2 PHE A 66 0.003 6.289 -2.249 1.00 21.00 H new ATOM 0 HE1 PHE A 66 1.578 9.129 1.430 1.00 5.14 H new ATOM 0 HE2 PHE A 66 0.444 5.305 -0.050 1.00 4.13 H new ATOM 0 HZ PHE A 66 1.236 6.724 1.795 1.00 75.32 H new ATOM 1093 N ARG A 67 -2.163 11.006 -4.799 1.00 23.22 N ATOM 1094 CA ARG A 67 -2.372 11.489 -6.144 1.00 62.14 C ATOM 1095 C ARG A 67 -1.409 12.583 -6.514 1.00 5.33 C ATOM 1096 O ARG A 67 -1.298 13.613 -5.825 1.00 24.11 O ATOM 1097 CB ARG A 67 -3.818 11.855 -6.435 1.00 74.41 C ATOM 1098 CG ARG A 67 -4.544 12.625 -5.369 1.00 62.54 C ATOM 1099 CD ARG A 67 -6.004 12.744 -5.743 1.00 2.41 C ATOM 1100 NE ARG A 67 -6.616 11.414 -5.978 1.00 34.02 N ATOM 1101 CZ ARG A 67 -7.932 11.164 -6.049 1.00 64.51 C ATOM 1102 NH1 ARG A 67 -8.815 12.140 -5.851 1.00 42.34 N ATOM 1103 NH2 ARG A 67 -8.356 9.937 -6.343 1.00 34.42 N ATOM 0 H ARG A 67 -2.933 11.177 -4.152 1.00 23.22 H new ATOM 0 HA ARG A 67 -2.151 10.647 -6.800 1.00 62.14 H new ATOM 0 HB2 ARG A 67 -3.843 12.440 -7.355 1.00 74.41 H new ATOM 0 HB3 ARG A 67 -4.370 10.935 -6.627 1.00 74.41 H new ATOM 0 HG2 ARG A 67 -4.443 12.121 -4.408 1.00 62.54 H new ATOM 0 HG3 ARG A 67 -4.104 13.616 -5.257 1.00 62.54 H new ATOM 0 HD2 ARG A 67 -6.543 13.258 -4.948 1.00 2.41 H new ATOM 0 HD3 ARG A 67 -6.102 13.354 -6.641 1.00 2.41 H new ATOM 0 HE ARG A 67 -5.983 10.623 -6.096 1.00 34.02 H new ATOM 0 HH11 ARG A 67 -8.492 13.085 -5.644 1.00 42.34 H new ATOM 0 HH12 ARG A 67 -9.814 11.943 -5.907 1.00 42.34 H new ATOM 0 HH21 ARG A 67 -7.681 9.191 -6.513 1.00 34.42 H new ATOM 0 HH22 ARG A 67 -9.356 9.742 -6.398 1.00 34.42 H new ATOM 1117 N GLY A 68 -0.678 12.315 -7.560 1.00 42.13 N ATOM 1118 CA GLY A 68 0.352 13.185 -8.021 1.00 31.43 C ATOM 1119 C GLY A 68 1.664 12.460 -7.991 1.00 10.32 C ATOM 1120 O GLY A 68 2.512 12.633 -8.860 1.00 53.35 O ATOM 0 H GLY A 68 -0.788 11.470 -8.121 1.00 42.13 H new ATOM 0 HA2 GLY A 68 0.133 13.522 -9.034 1.00 31.43 H new ATOM 0 HA3 GLY A 68 0.401 14.074 -7.393 1.00 31.43 H new ATOM 1124 N GLN A 69 1.811 11.603 -7.001 1.00 31.21 N ATOM 1125 CA GLN A 69 2.996 10.812 -6.834 1.00 61.35 C ATOM 1126 C GLN A 69 2.867 9.519 -7.623 1.00 44.53 C ATOM 1127 O GLN A 69 2.601 8.454 -7.063 1.00 75.21 O ATOM 1128 CB GLN A 69 3.195 10.508 -5.363 1.00 12.31 C ATOM 1129 CG GLN A 69 3.323 11.741 -4.498 1.00 5.13 C ATOM 1130 CD GLN A 69 4.603 12.471 -4.712 1.00 51.23 C ATOM 1131 OE1 GLN A 69 5.607 12.189 -4.066 1.00 74.35 O ATOM 1132 NE2 GLN A 69 4.579 13.439 -5.540 1.00 10.55 N ATOM 0 H GLN A 69 1.100 11.440 -6.288 1.00 31.21 H new ATOM 0 HA GLN A 69 3.859 11.365 -7.205 1.00 61.35 H new ATOM 0 HB2 GLN A 69 2.355 9.912 -5.008 1.00 12.31 H new ATOM 0 HB3 GLN A 69 4.091 9.898 -5.245 1.00 12.31 H new ATOM 0 HG2 GLN A 69 2.489 12.412 -4.706 1.00 5.13 H new ATOM 0 HG3 GLN A 69 3.247 11.452 -3.450 1.00 5.13 H new ATOM 0 HE21 GLN A 69 3.726 13.644 -6.060 1.00 10.55 H new ATOM 0 HE22 GLN A 69 5.413 14.009 -5.683 1.00 10.55 H new ATOM 1141 N GLU A 70 3.027 9.623 -8.926 1.00 44.44 N ATOM 1142 CA GLU A 70 2.897 8.486 -9.823 1.00 11.54 C ATOM 1143 C GLU A 70 3.976 7.449 -9.576 1.00 1.41 C ATOM 1144 O GLU A 70 3.765 6.256 -9.811 1.00 42.52 O ATOM 1145 CB GLU A 70 2.895 8.938 -11.276 1.00 74.31 C ATOM 1146 CG GLU A 70 1.657 9.726 -11.657 1.00 2.33 C ATOM 1147 CD GLU A 70 1.714 10.249 -13.063 1.00 71.25 C ATOM 1148 OE1 GLU A 70 1.705 9.445 -14.019 1.00 43.52 O ATOM 1149 OE2 GLU A 70 1.787 11.488 -13.244 1.00 11.44 O ATOM 0 H GLU A 70 3.252 10.499 -9.397 1.00 44.44 H new ATOM 0 HA GLU A 70 1.938 8.012 -9.613 1.00 11.54 H new ATOM 0 HB2 GLU A 70 3.778 9.550 -11.460 1.00 74.31 H new ATOM 0 HB3 GLU A 70 2.973 8.063 -11.922 1.00 74.31 H new ATOM 0 HG2 GLU A 70 0.778 9.091 -11.545 1.00 2.33 H new ATOM 0 HG3 GLU A 70 1.536 10.561 -10.967 1.00 2.33 H new ATOM 1156 N ASP A 71 5.109 7.901 -9.087 1.00 44.42 N ATOM 1157 CA ASP A 71 6.213 7.018 -8.745 1.00 24.30 C ATOM 1158 C ASP A 71 5.798 6.068 -7.650 1.00 64.43 C ATOM 1159 O ASP A 71 5.864 4.851 -7.818 1.00 62.31 O ATOM 1160 CB ASP A 71 7.440 7.819 -8.309 1.00 32.02 C ATOM 1161 CG ASP A 71 8.576 6.943 -7.824 1.00 53.13 C ATOM 1162 OD1 ASP A 71 9.379 6.495 -8.640 1.00 3.11 O ATOM 1163 OD2 ASP A 71 8.698 6.727 -6.606 1.00 72.24 O ATOM 0 H ASP A 71 5.296 8.889 -8.914 1.00 44.42 H new ATOM 0 HA ASP A 71 6.478 6.445 -9.633 1.00 24.30 H new ATOM 0 HB2 ASP A 71 7.787 8.425 -9.146 1.00 32.02 H new ATOM 0 HB3 ASP A 71 7.154 8.507 -7.514 1.00 32.02 H new ATOM 1168 N LEU A 72 5.297 6.631 -6.564 1.00 22.55 N ATOM 1169 CA LEU A 72 4.864 5.847 -5.421 1.00 3.54 C ATOM 1170 C LEU A 72 3.749 4.899 -5.818 1.00 14.03 C ATOM 1171 O LEU A 72 3.749 3.736 -5.444 1.00 75.40 O ATOM 1172 CB LEU A 72 4.385 6.755 -4.283 1.00 30.51 C ATOM 1173 CG LEU A 72 5.406 7.740 -3.705 1.00 31.04 C ATOM 1174 CD1 LEU A 72 4.764 8.567 -2.607 1.00 61.44 C ATOM 1175 CD2 LEU A 72 6.633 7.009 -3.171 1.00 44.22 C ATOM 0 H LEU A 72 5.180 7.638 -6.450 1.00 22.55 H new ATOM 0 HA LEU A 72 5.719 5.268 -5.071 1.00 3.54 H new ATOM 0 HB2 LEU A 72 3.529 7.326 -4.642 1.00 30.51 H new ATOM 0 HB3 LEU A 72 4.028 6.121 -3.471 1.00 30.51 H new ATOM 0 HG LEU A 72 5.733 8.403 -4.506 1.00 31.04 H new ATOM 0 HD11 LEU A 72 5.497 9.265 -2.201 1.00 61.44 H new ATOM 0 HD12 LEU A 72 3.921 9.123 -3.016 1.00 61.44 H new ATOM 0 HD13 LEU A 72 4.413 7.908 -1.813 1.00 61.44 H new ATOM 0 HD21 LEU A 72 7.341 7.733 -2.767 1.00 44.22 H new ATOM 0 HD22 LEU A 72 6.331 6.318 -2.384 1.00 44.22 H new ATOM 0 HD23 LEU A 72 7.106 6.452 -3.980 1.00 44.22 H new ATOM 1187 N LEU A 73 2.856 5.382 -6.647 1.00 12.33 N ATOM 1188 CA LEU A 73 1.702 4.600 -7.055 1.00 12.12 C ATOM 1189 C LEU A 73 2.112 3.448 -7.981 1.00 62.24 C ATOM 1190 O LEU A 73 1.466 2.397 -8.008 1.00 14.21 O ATOM 1191 CB LEU A 73 0.649 5.496 -7.713 1.00 23.42 C ATOM 1192 CG LEU A 73 0.128 6.663 -6.865 1.00 42.22 C ATOM 1193 CD1 LEU A 73 -0.907 7.473 -7.619 1.00 33.42 C ATOM 1194 CD2 LEU A 73 -0.425 6.181 -5.537 1.00 61.22 C ATOM 0 H LEU A 73 2.902 6.315 -7.056 1.00 12.33 H new ATOM 0 HA LEU A 73 1.258 4.158 -6.163 1.00 12.12 H new ATOM 0 HB2 LEU A 73 1.071 5.902 -8.632 1.00 23.42 H new ATOM 0 HB3 LEU A 73 -0.200 4.874 -7.999 1.00 23.42 H new ATOM 0 HG LEU A 73 0.976 7.315 -6.655 1.00 42.22 H new ATOM 0 HD11 LEU A 73 -1.256 8.292 -6.991 1.00 33.42 H new ATOM 0 HD12 LEU A 73 -0.461 7.877 -8.528 1.00 33.42 H new ATOM 0 HD13 LEU A 73 -1.749 6.833 -7.882 1.00 33.42 H new ATOM 0 HD21 LEU A 73 -0.785 7.034 -4.962 1.00 61.22 H new ATOM 0 HD22 LEU A 73 -1.249 5.490 -5.715 1.00 61.22 H new ATOM 0 HD23 LEU A 73 0.361 5.673 -4.978 1.00 61.22 H new ATOM 1206 N SER A 74 3.193 3.630 -8.716 1.00 13.02 N ATOM 1207 CA SER A 74 3.690 2.589 -9.586 1.00 52.52 C ATOM 1208 C SER A 74 4.419 1.547 -8.741 1.00 13.25 C ATOM 1209 O SER A 74 4.196 0.341 -8.895 1.00 14.00 O ATOM 1210 CB SER A 74 4.614 3.172 -10.677 1.00 43.32 C ATOM 1211 OG SER A 74 4.957 2.192 -11.659 1.00 73.14 O ATOM 0 H SER A 74 3.741 4.490 -8.726 1.00 13.02 H new ATOM 0 HA SER A 74 2.854 2.114 -10.099 1.00 52.52 H new ATOM 0 HB2 SER A 74 4.119 4.014 -11.161 1.00 43.32 H new ATOM 0 HB3 SER A 74 5.523 3.558 -10.216 1.00 43.32 H new ATOM 0 HG SER A 74 5.541 2.596 -12.334 1.00 73.14 H new ATOM 1217 N GLU A 75 5.243 2.019 -7.809 1.00 12.42 N ATOM 1218 CA GLU A 75 5.989 1.140 -6.925 1.00 45.51 C ATOM 1219 C GLU A 75 5.045 0.315 -6.061 1.00 45.11 C ATOM 1220 O GLU A 75 5.289 -0.875 -5.824 1.00 52.14 O ATOM 1221 CB GLU A 75 6.948 1.933 -6.047 1.00 74.40 C ATOM 1222 CG GLU A 75 8.003 2.696 -6.819 1.00 31.22 C ATOM 1223 CD GLU A 75 8.849 1.797 -7.675 1.00 71.43 C ATOM 1224 OE1 GLU A 75 9.764 1.129 -7.131 1.00 61.25 O ATOM 1225 OE2 GLU A 75 8.620 1.731 -8.901 1.00 61.11 O ATOM 0 H GLU A 75 5.409 3.013 -7.649 1.00 12.42 H new ATOM 0 HA GLU A 75 6.574 0.462 -7.547 1.00 45.51 H new ATOM 0 HB2 GLU A 75 6.374 2.637 -5.444 1.00 74.40 H new ATOM 0 HB3 GLU A 75 7.442 1.249 -5.356 1.00 74.40 H new ATOM 0 HG2 GLU A 75 7.519 3.443 -7.449 1.00 31.22 H new ATOM 0 HG3 GLU A 75 8.643 3.234 -6.120 1.00 31.22 H new ATOM 1232 N PHE A 76 3.973 0.949 -5.610 1.00 11.33 N ATOM 1233 CA PHE A 76 2.940 0.298 -4.824 1.00 31.11 C ATOM 1234 C PHE A 76 2.334 -0.861 -5.606 1.00 42.42 C ATOM 1235 O PHE A 76 2.329 -2.002 -5.138 1.00 70.42 O ATOM 1236 CB PHE A 76 1.842 1.309 -4.455 1.00 21.31 C ATOM 1237 CG PHE A 76 0.725 0.728 -3.635 1.00 61.14 C ATOM 1238 CD1 PHE A 76 0.879 0.543 -2.276 1.00 64.33 C ATOM 1239 CD2 PHE A 76 -0.469 0.351 -4.231 1.00 43.45 C ATOM 1240 CE1 PHE A 76 -0.133 -0.004 -1.521 1.00 41.44 C ATOM 1241 CE2 PHE A 76 -1.485 -0.203 -3.482 1.00 10.14 C ATOM 1242 CZ PHE A 76 -1.316 -0.381 -2.120 1.00 45.51 C ATOM 0 H PHE A 76 3.796 1.939 -5.782 1.00 11.33 H new ATOM 0 HA PHE A 76 3.390 -0.090 -3.910 1.00 31.11 H new ATOM 0 HB2 PHE A 76 2.293 2.134 -3.903 1.00 21.31 H new ATOM 0 HB3 PHE A 76 1.426 1.728 -5.371 1.00 21.31 H new ATOM 0 HD1 PHE A 76 1.805 0.831 -1.800 1.00 64.33 H new ATOM 0 HD2 PHE A 76 -0.604 0.493 -5.293 1.00 43.45 H new ATOM 0 HE1 PHE A 76 -0.000 -0.138 -0.458 1.00 41.44 H new ATOM 0 HE2 PHE A 76 -2.410 -0.497 -3.956 1.00 10.14 H new ATOM 0 HZ PHE A 76 -2.109 -0.814 -1.528 1.00 45.51 H new