USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 Set 1.1: A 64 TYR OH : rot 180:sc= 0.0445 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -125:sc= 0.0489 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -3.36! C(o=-6.4!,f=-3.4!) USER MOD Single : A 15 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -1.01 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 34:sc= -0.0256 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.0144 USER MOD Single : A 36 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.013) USER MOD Single : A 37 LYS NZ :NH3+ -133:sc= -2.01 (180deg=-4.72!) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.456 (180deg=-1.28) USER MOD Single : A 43 THR OG1 : rot -96:sc= -5.3! USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.286 (180deg=-1.34!) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= -0.879 (180deg=-2.56!) USER MOD Single : A 50 CYS SG : rot 170:sc= -0.816 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= -0.417 (180deg=-1.54!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 132:sc= -2.38! USER MOD Single : A 62 MET CE :methyl 172:sc= -0.465 (180deg=-0.665) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.174 (180deg=-1.1) USER MOD Single : A 67 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.064) USER MOD Single : A 69 SER OG : rot -27:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.309 -1.893 5.890 1.00 0.00 N ATOM 144 CA ASN A 12 -8.115 -1.000 5.063 1.00 0.00 C ATOM 145 C ASN A 12 -7.253 0.121 4.488 1.00 0.00 C ATOM 146 O ASN A 12 -6.595 -0.061 3.464 1.00 0.00 O ATOM 147 CB ASN A 12 -9.258 -0.412 5.891 1.00 0.00 C ATOM 148 CG ASN A 12 -8.743 0.028 7.258 1.00 0.00 C ATOM 149 OD1 ASN A 12 -7.457 0.098 7.467 1.00 0.00 O flip ATOM 150 ND2 ASN A 12 -9.532 0.315 8.157 1.00 0.00 N flip ATOM 0 HA ASN A 12 -8.533 -1.574 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.696 0.438 5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.048 -1.153 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.537 0.259 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.181 0.609 9.069 1.00 0.00 H new ATOM 157 N LEU A 13 -7.256 1.278 5.151 1.00 0.00 N ATOM 158 CA LEU A 13 -6.465 2.428 4.697 1.00 0.00 C ATOM 159 C LEU A 13 -5.407 2.791 5.733 1.00 0.00 C ATOM 160 O LEU A 13 -5.358 2.208 6.817 1.00 0.00 O ATOM 161 CB LEU A 13 -7.374 3.640 4.461 1.00 0.00 C ATOM 162 CG LEU A 13 -8.643 3.211 3.723 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.559 4.422 3.535 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.273 2.640 2.351 1.00 0.00 C ATOM 0 H LEU A 13 -7.794 1.446 6.001 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.975 2.154 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.636 4.099 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.844 4.394 3.880 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.158 2.449 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.463 4.116 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.827 4.831 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.040 5.183 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.179 2.335 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.756 3.401 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.621 1.776 2.480 1.00 0.00 H new ATOM 176 N ALA A 14 -4.562 3.761 5.393 1.00 0.00 N ATOM 177 CA ALA A 14 -3.507 4.203 6.301 1.00 0.00 C ATOM 178 C ALA A 14 -4.062 5.206 7.310 1.00 0.00 C ATOM 179 O ALA A 14 -4.996 4.900 8.050 1.00 0.00 O ATOM 180 CB ALA A 14 -2.369 4.843 5.503 1.00 0.00 C ATOM 0 H ALA A 14 -4.587 4.254 4.500 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.124 3.338 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.585 5.171 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.960 4.114 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.750 5.701 4.950 1.00 0.00 H new ATOM 186 N ASN A 15 -3.484 6.404 7.334 1.00 0.00 N ATOM 187 CA ASN A 15 -3.934 7.439 8.257 1.00 0.00 C ATOM 188 C ASN A 15 -3.467 8.816 7.792 1.00 0.00 C ATOM 189 O ASN A 15 -4.196 9.530 7.102 1.00 0.00 O ATOM 190 CB ASN A 15 -3.391 7.161 9.660 1.00 0.00 C ATOM 191 CG ASN A 15 -4.121 5.974 10.277 1.00 0.00 C ATOM 192 OD1 ASN A 15 -5.335 6.025 10.475 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.450 4.900 10.596 1.00 0.00 N ATOM 0 H ASN A 15 -2.710 6.680 6.730 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.024 7.427 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.322 6.955 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.517 8.042 10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.932 4.102 11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.444 4.859 10.431 1.00 0.00 H new ATOM 200 N ARG A 16 -2.248 9.186 8.181 1.00 0.00 N ATOM 201 CA ARG A 16 -1.692 10.485 7.806 1.00 0.00 C ATOM 202 C ARG A 16 -1.062 10.437 6.415 1.00 0.00 C ATOM 203 O ARG A 16 -1.429 9.606 5.584 1.00 0.00 O ATOM 204 CB ARG A 16 -0.637 10.912 8.829 1.00 0.00 C ATOM 205 CG ARG A 16 -1.146 10.615 10.241 1.00 0.00 C ATOM 206 CD ARG A 16 -0.187 11.221 11.268 1.00 0.00 C ATOM 207 NE ARG A 16 -0.760 11.134 12.606 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.126 11.638 13.660 1.00 0.00 C ATOM 209 NH1 ARG A 16 1.029 12.224 13.506 1.00 0.00 N ATOM 210 NH2 ARG A 16 -0.660 11.549 14.846 1.00 0.00 N ATOM 0 H ARG A 16 -1.630 8.609 8.752 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.507 11.209 7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.297 10.380 8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.423 11.976 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.146 11.029 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.224 9.538 10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.768 10.696 11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.014 12.263 11.018 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.663 10.678 12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.445 12.295 12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.516 12.611 14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.564 11.093 14.965 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.173 11.936 15.655 1.00 0.00 H new ATOM 224 N LYS A 17 -0.117 11.345 6.170 1.00 0.00 N ATOM 225 CA LYS A 17 0.565 11.422 4.877 1.00 0.00 C ATOM 226 C LYS A 17 1.877 10.637 4.905 1.00 0.00 C ATOM 227 O LYS A 17 2.669 10.761 5.838 1.00 0.00 O ATOM 228 CB LYS A 17 0.839 12.897 4.537 1.00 0.00 C ATOM 229 CG LYS A 17 1.849 13.006 3.383 1.00 0.00 C ATOM 230 CD LYS A 17 1.733 14.383 2.720 1.00 0.00 C ATOM 231 CE LYS A 17 2.708 14.470 1.546 1.00 0.00 C ATOM 232 NZ LYS A 17 2.810 15.884 1.088 1.00 0.00 N ATOM 0 H LYS A 17 0.194 12.038 6.850 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.075 10.981 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.092 13.391 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.225 13.413 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.861 12.857 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.663 12.222 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.713 14.545 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.951 15.167 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.689 14.102 1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.366 13.835 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.473 15.943 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.873 16.219 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.155 16.478 1.869 1.00 0.00 H new ATOM 246 N ILE A 18 2.100 9.840 3.861 1.00 0.00 N ATOM 247 CA ILE A 18 3.321 9.042 3.752 1.00 0.00 C ATOM 248 C ILE A 18 4.442 9.916 3.156 1.00 0.00 C ATOM 249 O ILE A 18 4.200 10.632 2.184 1.00 0.00 O ATOM 250 CB ILE A 18 3.029 7.822 2.839 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.368 6.689 3.661 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.303 7.301 2.148 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.419 5.836 4.389 1.00 0.00 C ATOM 0 H ILE A 18 1.453 9.730 3.080 1.00 0.00 H new ATOM 0 HA ILE A 18 3.642 8.687 4.731 1.00 0.00 H new ATOM 0 HB ILE A 18 2.344 8.152 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.680 7.119 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.777 6.055 3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.052 6.447 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.732 8.092 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.027 6.995 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.920 5.050 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.091 5.386 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.992 6.467 5.069 1.00 0.00 H new ATOM 265 N PRO A 19 5.651 9.892 3.691 1.00 0.00 N ATOM 266 CA PRO A 19 6.768 10.727 3.140 1.00 0.00 C ATOM 267 C PRO A 19 7.055 10.395 1.672 1.00 0.00 C ATOM 268 O PRO A 19 7.130 9.227 1.292 1.00 0.00 O ATOM 269 CB PRO A 19 7.965 10.393 4.053 1.00 0.00 C ATOM 270 CG PRO A 19 7.619 9.085 4.683 1.00 0.00 C ATOM 271 CD PRO A 19 6.108 9.096 4.851 1.00 0.00 C ATOM 0 HA PRO A 19 6.533 11.791 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.890 10.323 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.114 11.166 4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.937 8.252 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.119 8.969 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.693 8.088 4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.810 9.551 5.796 1.00 0.00 H new ATOM 279 N LEU A 20 7.195 11.436 0.852 1.00 0.00 N ATOM 280 CA LEU A 20 7.454 11.253 -0.576 1.00 0.00 C ATOM 281 C LEU A 20 8.875 10.738 -0.831 1.00 0.00 C ATOM 282 O LEU A 20 9.138 10.117 -1.860 1.00 0.00 O ATOM 283 CB LEU A 20 7.229 12.586 -1.321 1.00 0.00 C ATOM 284 CG LEU A 20 5.756 12.713 -1.734 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.868 12.668 -0.491 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.537 14.037 -2.468 1.00 0.00 C ATOM 0 H LEU A 20 7.134 12.410 1.150 1.00 0.00 H new ATOM 0 HA LEU A 20 6.759 10.502 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.509 13.422 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.868 12.632 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 20 5.498 11.886 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.823 12.758 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.017 11.722 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.130 13.492 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.490 14.123 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.800 14.865 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.165 14.068 -3.358 1.00 0.00 H new ATOM 298 N GLN A 21 9.787 11.011 0.096 1.00 0.00 N ATOM 299 CA GLN A 21 11.175 10.578 -0.063 1.00 0.00 C ATOM 300 C GLN A 21 11.293 9.052 -0.072 1.00 0.00 C ATOM 301 O GLN A 21 12.111 8.492 -0.801 1.00 0.00 O ATOM 302 CB GLN A 21 12.033 11.153 1.069 1.00 0.00 C ATOM 303 CG GLN A 21 11.302 10.995 2.402 1.00 0.00 C ATOM 304 CD GLN A 21 12.241 11.332 3.555 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.128 10.544 3.886 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.099 12.463 4.190 1.00 0.00 N ATOM 0 H GLN A 21 9.596 11.524 0.957 1.00 0.00 H new ATOM 0 HA GLN A 21 11.531 10.950 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.994 10.639 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.242 12.206 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.431 11.650 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.936 9.974 2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.364 13.114 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.723 12.696 4.962 1.00 0.00 H new ATOM 315 N ARG A 22 10.491 8.386 0.753 1.00 0.00 N ATOM 316 CA ARG A 22 10.532 6.925 0.845 1.00 0.00 C ATOM 317 C ARG A 22 9.626 6.274 -0.202 1.00 0.00 C ATOM 318 O ARG A 22 10.017 5.313 -0.863 1.00 0.00 O ATOM 319 CB ARG A 22 10.103 6.499 2.255 1.00 0.00 C ATOM 320 CG ARG A 22 11.223 6.843 3.270 1.00 0.00 C ATOM 321 CD ARG A 22 10.615 7.321 4.594 1.00 0.00 C ATOM 322 NE ARG A 22 11.595 7.214 5.670 1.00 0.00 N ATOM 323 CZ ARG A 22 11.995 6.030 6.124 1.00 0.00 C ATOM 324 NH1 ARG A 22 11.511 4.934 5.607 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.873 5.965 7.088 1.00 0.00 N ATOM 0 H ARG A 22 9.807 8.829 1.366 1.00 0.00 H new ATOM 0 HA ARG A 22 11.551 6.591 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.179 7.006 2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.897 5.429 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.847 5.966 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.870 7.618 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.283 8.355 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.735 6.724 4.834 1.00 0.00 H new ATOM 0 HE ARG A 22 11.981 8.064 6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.825 4.985 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.819 4.026 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.251 6.822 7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.181 5.057 7.437 1.00 0.00 H new ATOM 339 N LEU A 23 8.420 6.807 -0.346 1.00 0.00 N ATOM 340 CA LEU A 23 7.457 6.281 -1.314 1.00 0.00 C ATOM 341 C LEU A 23 8.149 5.996 -2.651 1.00 0.00 C ATOM 342 O LEU A 23 8.965 6.790 -3.121 1.00 0.00 O ATOM 343 CB LEU A 23 6.312 7.312 -1.454 1.00 0.00 C ATOM 344 CG LEU A 23 5.571 7.253 -2.815 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.446 7.824 -3.962 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.096 5.813 -3.133 1.00 0.00 C ATOM 0 H LEU A 23 8.082 7.604 0.194 1.00 0.00 H new ATOM 0 HA LEU A 23 7.040 5.333 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.591 7.150 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.720 8.313 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 23 4.685 7.883 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.896 7.767 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.693 8.864 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.364 7.242 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.580 5.804 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.958 5.147 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.415 5.474 -2.352 1.00 0.00 H new ATOM 358 N GLU A 24 7.824 4.849 -3.253 1.00 0.00 N ATOM 359 CA GLU A 24 8.414 4.450 -4.539 1.00 0.00 C ATOM 360 C GLU A 24 7.391 4.574 -5.656 1.00 0.00 C ATOM 361 O GLU A 24 7.542 5.377 -6.577 1.00 0.00 O ATOM 362 CB GLU A 24 8.871 2.988 -4.470 1.00 0.00 C ATOM 363 CG GLU A 24 9.384 2.515 -5.843 1.00 0.00 C ATOM 364 CD GLU A 24 10.456 3.462 -6.370 1.00 0.00 C ATOM 365 OE1 GLU A 24 11.418 3.694 -5.655 1.00 0.00 O ATOM 366 OE2 GLU A 24 10.301 3.943 -7.481 1.00 0.00 O ATOM 0 H GLU A 24 7.156 4.179 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 24 9.261 5.105 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.660 2.883 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.042 2.357 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.791 1.507 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.556 2.465 -6.550 1.00 0.00 H new ATOM 373 N SER A 25 6.358 3.740 -5.572 1.00 0.00 N ATOM 374 CA SER A 25 5.307 3.711 -6.579 1.00 0.00 C ATOM 375 C SER A 25 3.982 3.279 -5.946 1.00 0.00 C ATOM 376 O SER A 25 3.944 2.901 -4.775 1.00 0.00 O ATOM 377 CB SER A 25 5.721 2.729 -7.681 1.00 0.00 C ATOM 378 OG SER A 25 6.447 1.656 -7.099 1.00 0.00 O ATOM 0 H SER A 25 6.228 3.073 -4.812 1.00 0.00 H new ATOM 0 HA SER A 25 5.168 4.705 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.839 2.350 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.333 3.237 -8.426 1.00 0.00 H new ATOM 0 HG SER A 25 6.713 1.024 -7.799 1.00 0.00 H new ATOM 384 N TYR A 26 2.893 3.339 -6.725 1.00 0.00 N ATOM 385 CA TYR A 26 1.566 2.952 -6.222 1.00 0.00 C ATOM 386 C TYR A 26 1.016 1.744 -6.984 1.00 0.00 C ATOM 387 O TYR A 26 1.508 1.396 -8.058 1.00 0.00 O ATOM 388 CB TYR A 26 0.586 4.127 -6.347 1.00 0.00 C ATOM 389 CG TYR A 26 0.235 4.361 -7.798 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.116 5.066 -8.625 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.973 3.877 -8.312 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.791 5.286 -9.967 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.300 4.095 -9.655 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.418 4.801 -10.484 1.00 0.00 C ATOM 395 OH TYR A 26 -0.739 5.018 -11.808 1.00 0.00 O ATOM 0 H TYR A 26 2.903 3.649 -7.697 1.00 0.00 H new ATOM 0 HA TYR A 26 1.675 2.679 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.318 3.918 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.030 5.027 -5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.047 5.440 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.653 3.335 -7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.472 5.830 -10.605 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.231 3.719 -10.052 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.611 4.615 -12.004 1.00 0.00 H new ATOM 405 N ARG A 27 -0.011 1.118 -6.415 1.00 0.00 N ATOM 406 CA ARG A 27 -0.640 -0.047 -7.035 1.00 0.00 C ATOM 407 C ARG A 27 -2.053 -0.232 -6.486 1.00 0.00 C ATOM 408 O ARG A 27 -2.340 0.162 -5.357 1.00 0.00 O ATOM 409 CB ARG A 27 0.189 -1.308 -6.752 1.00 0.00 C ATOM 410 CG ARG A 27 -0.204 -2.436 -7.736 1.00 0.00 C ATOM 411 CD ARG A 27 -0.131 -3.798 -7.036 1.00 0.00 C ATOM 412 NE ARG A 27 1.173 -3.972 -6.407 1.00 0.00 N ATOM 413 CZ ARG A 27 2.262 -4.199 -7.133 1.00 0.00 C ATOM 414 NH1 ARG A 27 2.176 -4.268 -8.434 1.00 0.00 N ATOM 415 NH2 ARG A 27 3.418 -4.351 -6.547 1.00 0.00 N ATOM 0 H ARG A 27 -0.426 1.397 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.690 0.115 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.251 -1.084 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.026 -1.637 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.213 -2.266 -8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.463 -2.426 -8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.918 -3.872 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.304 -4.596 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 27 1.250 -3.918 -5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.273 -4.148 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.012 -4.442 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.486 -4.296 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.254 -4.525 -7.105 1.00 0.00 H new ATOM 429 N ARG A 28 -2.938 -0.826 -7.288 1.00 0.00 N ATOM 430 CA ARG A 28 -4.326 -1.045 -6.865 1.00 0.00 C ATOM 431 C ARG A 28 -4.510 -2.450 -6.282 1.00 0.00 C ATOM 432 O ARG A 28 -3.771 -3.376 -6.616 1.00 0.00 O ATOM 433 CB ARG A 28 -5.271 -0.822 -8.071 1.00 0.00 C ATOM 434 CG ARG A 28 -6.466 0.054 -7.664 1.00 0.00 C ATOM 435 CD ARG A 28 -7.382 0.270 -8.870 1.00 0.00 C ATOM 436 NE ARG A 28 -6.604 0.691 -10.030 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.192 0.945 -11.195 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.485 0.822 -11.315 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.475 1.319 -12.220 1.00 0.00 N ATOM 0 H ARG A 28 -2.723 -1.162 -8.227 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.573 -0.331 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.725 -0.346 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.627 -1.782 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.020 -0.423 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.114 1.014 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.917 -0.652 -9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.133 1.024 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.593 0.792 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.046 0.531 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.935 1.017 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.464 1.416 -12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.926 1.514 -13.114 1.00 0.00 H new ATOM 453 N ILE A 29 -5.510 -2.592 -5.403 1.00 0.00 N ATOM 454 CA ILE A 29 -5.805 -3.882 -4.758 1.00 0.00 C ATOM 455 C ILE A 29 -7.108 -4.463 -5.316 1.00 0.00 C ATOM 456 O ILE A 29 -7.180 -5.649 -5.637 1.00 0.00 O ATOM 457 CB ILE A 29 -5.917 -3.712 -3.207 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.619 -2.251 -2.819 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.918 -4.646 -2.504 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.853 -2.029 -1.317 1.00 0.00 C ATOM 0 H ILE A 29 -6.129 -1.832 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.986 -4.569 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.929 -3.969 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.587 -2.006 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.256 -1.580 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.002 -4.522 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.139 -5.680 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.905 -4.399 -2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.637 -0.991 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.892 -2.253 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.197 -2.686 -0.746 1.00 0.00 H new ATOM 472 N THR A 30 -8.131 -3.616 -5.412 1.00 0.00 N ATOM 473 CA THR A 30 -9.435 -4.039 -5.918 1.00 0.00 C ATOM 474 C THR A 30 -9.944 -5.260 -5.157 1.00 0.00 C ATOM 475 O THR A 30 -9.191 -5.921 -4.443 1.00 0.00 O ATOM 476 CB THR A 30 -9.350 -4.353 -7.416 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.272 -5.244 -7.661 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.129 -3.056 -8.196 1.00 0.00 C ATOM 0 H THR A 30 -8.082 -2.633 -5.146 1.00 0.00 H new ATOM 0 HA THR A 30 -10.138 -3.220 -5.767 1.00 0.00 H new ATOM 0 HB THR A 30 -10.281 -4.820 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.171 -5.852 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.068 -3.278 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.961 -2.376 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.200 -2.589 -7.869 1.00 0.00 H new ATOM 526 N CYS A 34 -8.545 -7.290 -0.972 1.00 0.00 N ATOM 527 CA CYS A 34 -8.648 -6.348 0.139 1.00 0.00 C ATOM 528 C CYS A 34 -9.966 -5.567 0.043 1.00 0.00 C ATOM 529 O CYS A 34 -10.643 -5.626 -0.982 1.00 0.00 O ATOM 530 CB CYS A 34 -7.431 -5.393 0.105 1.00 0.00 C ATOM 531 SG CYS A 34 -6.318 -5.744 1.495 1.00 0.00 S ATOM 0 HA CYS A 34 -8.646 -6.887 1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.895 -5.509 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.770 -4.358 0.154 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.301 -4.936 1.451 1.00 0.00 H new ATOM 536 N PRO A 35 -10.342 -4.851 1.082 1.00 0.00 N ATOM 537 CA PRO A 35 -11.609 -4.050 1.095 1.00 0.00 C ATOM 538 C PRO A 35 -11.793 -3.184 -0.157 1.00 0.00 C ATOM 539 O PRO A 35 -11.111 -3.365 -1.165 1.00 0.00 O ATOM 540 CB PRO A 35 -11.464 -3.176 2.347 1.00 0.00 C ATOM 541 CG PRO A 35 -10.600 -3.971 3.266 1.00 0.00 C ATOM 542 CD PRO A 35 -9.616 -4.724 2.368 1.00 0.00 C ATOM 0 HA PRO A 35 -12.488 -4.694 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.009 -2.215 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.434 -2.966 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.073 -3.322 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.195 -4.664 3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.682 -4.175 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.361 -5.699 2.782 1.00 0.00 H new ATOM 550 N GLN A 36 -12.733 -2.243 -0.071 1.00 0.00 N ATOM 551 CA GLN A 36 -13.039 -1.338 -1.182 1.00 0.00 C ATOM 552 C GLN A 36 -11.796 -1.003 -2.006 1.00 0.00 C ATOM 553 O GLN A 36 -10.693 -0.889 -1.472 1.00 0.00 O ATOM 554 CB GLN A 36 -13.651 -0.044 -0.640 1.00 0.00 C ATOM 555 CG GLN A 36 -12.678 0.616 0.342 1.00 0.00 C ATOM 556 CD GLN A 36 -13.407 1.670 1.168 1.00 0.00 C ATOM 557 OE1 GLN A 36 -12.974 2.821 1.232 1.00 0.00 O ATOM 558 NE2 GLN A 36 -14.496 1.344 1.811 1.00 0.00 N ATOM 0 H GLN A 36 -13.300 -2.086 0.762 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.748 -1.847 -1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.871 0.637 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.596 -0.258 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.245 -0.138 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.854 1.075 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.854 0.390 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.989 2.043 2.367 1.00 0.00 H new ATOM 567 N LYS A 37 -11.995 -0.841 -3.312 1.00 0.00 N ATOM 568 CA LYS A 37 -10.900 -0.511 -4.218 1.00 0.00 C ATOM 569 C LYS A 37 -10.063 0.628 -3.645 1.00 0.00 C ATOM 570 O LYS A 37 -10.598 1.559 -3.044 1.00 0.00 O ATOM 571 CB LYS A 37 -11.470 -0.099 -5.579 1.00 0.00 C ATOM 572 CG LYS A 37 -10.351 -0.042 -6.625 1.00 0.00 C ATOM 573 CD LYS A 37 -10.965 0.024 -8.030 1.00 0.00 C ATOM 574 CE LYS A 37 -11.715 1.347 -8.215 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.060 1.250 -7.581 1.00 0.00 N ATOM 0 H LYS A 37 -12.904 -0.933 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.263 -1.387 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.235 -0.810 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.954 0.875 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.720 0.830 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.712 -0.920 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.182 -0.067 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.647 -0.813 -8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.149 2.164 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.817 1.574 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.780 1.614 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.267 0.256 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.073 1.812 -6.706 1.00 0.00 H new ATOM 589 N ALA A 38 -8.749 0.549 -3.831 1.00 0.00 N ATOM 590 CA ALA A 38 -7.858 1.584 -3.321 1.00 0.00 C ATOM 591 C ALA A 38 -6.454 1.424 -3.897 1.00 0.00 C ATOM 592 O ALA A 38 -6.149 0.420 -4.537 1.00 0.00 O ATOM 593 CB ALA A 38 -7.800 1.508 -1.793 1.00 0.00 C ATOM 0 H ALA A 38 -8.282 -0.212 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.248 2.555 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.133 2.283 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.799 1.657 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.427 0.529 -1.491 1.00 0.00 H new ATOM 599 N VAL A 39 -5.598 2.420 -3.657 1.00 0.00 N ATOM 600 CA VAL A 39 -4.217 2.378 -4.146 1.00 0.00 C ATOM 601 C VAL A 39 -3.270 2.039 -2.995 1.00 0.00 C ATOM 602 O VAL A 39 -3.609 2.246 -1.829 1.00 0.00 O ATOM 603 CB VAL A 39 -3.840 3.721 -4.784 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.956 4.164 -5.733 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.642 4.785 -3.704 1.00 0.00 C ATOM 0 H VAL A 39 -5.834 3.261 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.130 1.603 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.909 3.600 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.690 5.118 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.089 3.415 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.886 4.275 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.375 5.733 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.566 4.907 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.843 4.475 -3.030 1.00 0.00 H new ATOM 615 N ILE A 40 -2.093 1.495 -3.320 1.00 0.00 N ATOM 616 CA ILE A 40 -1.117 1.102 -2.292 1.00 0.00 C ATOM 617 C ILE A 40 0.256 1.709 -2.569 1.00 0.00 C ATOM 618 O ILE A 40 0.958 1.276 -3.482 1.00 0.00 O ATOM 619 CB ILE A 40 -1.008 -0.432 -2.258 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.258 -1.013 -1.597 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.231 -0.877 -1.468 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.298 -2.524 -1.823 1.00 0.00 C ATOM 0 H ILE A 40 -1.792 1.317 -4.278 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.462 1.476 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.918 -0.794 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.253 -0.794 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.152 -0.548 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.285 -1.966 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.127 -0.473 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.162 -0.509 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.189 -2.939 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.323 -2.731 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.410 -2.981 -1.386 1.00 0.00 H new ATOM 634 N PHE A 41 0.648 2.687 -1.755 1.00 0.00 N ATOM 635 CA PHE A 41 1.956 3.316 -1.909 1.00 0.00 C ATOM 636 C PHE A 41 3.021 2.471 -1.219 1.00 0.00 C ATOM 637 O PHE A 41 2.959 2.247 -0.010 1.00 0.00 O ATOM 638 CB PHE A 41 1.945 4.718 -1.296 1.00 0.00 C ATOM 639 CG PHE A 41 0.846 5.537 -1.929 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.952 5.942 -3.265 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.274 5.902 -1.177 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.063 6.709 -3.847 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.284 6.670 -1.756 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.181 7.073 -3.093 1.00 0.00 C ATOM 0 H PHE A 41 0.085 3.058 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 41 2.183 3.393 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.791 4.654 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.909 5.202 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.818 5.662 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.357 5.589 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.018 7.019 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.147 6.954 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.965 7.665 -3.541 1.00 0.00 H new ATOM 654 N LYS A 42 3.996 1.997 -1.992 1.00 0.00 N ATOM 655 CA LYS A 42 5.072 1.169 -1.442 1.00 0.00 C ATOM 656 C LYS A 42 6.332 2.000 -1.224 1.00 0.00 C ATOM 657 O LYS A 42 6.798 2.694 -2.128 1.00 0.00 O ATOM 658 CB LYS A 42 5.374 0.006 -2.396 1.00 0.00 C ATOM 659 CG LYS A 42 5.355 0.509 -3.842 1.00 0.00 C ATOM 660 CD LYS A 42 6.021 -0.526 -4.756 1.00 0.00 C ATOM 661 CE LYS A 42 5.361 -1.892 -4.556 1.00 0.00 C ATOM 662 NZ LYS A 42 5.717 -2.786 -5.694 1.00 0.00 N ATOM 0 H LYS A 42 4.065 2.169 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 42 4.747 0.773 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.348 -0.425 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.636 -0.785 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.328 0.685 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.879 1.462 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.931 -0.217 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.086 -0.590 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.691 -2.333 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.279 -1.779 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.555 -3.776 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.126 -2.552 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.719 -2.654 -5.939 1.00 0.00 H new ATOM 676 N THR A 43 6.882 1.922 -0.011 1.00 0.00 N ATOM 677 CA THR A 43 8.099 2.664 0.341 1.00 0.00 C ATOM 678 C THR A 43 9.187 1.688 0.785 1.00 0.00 C ATOM 679 O THR A 43 8.984 0.474 0.788 1.00 0.00 O ATOM 680 CB THR A 43 7.811 3.682 1.475 1.00 0.00 C ATOM 681 OG1 THR A 43 8.687 3.444 2.569 1.00 0.00 O ATOM 682 CG2 THR A 43 6.362 3.553 1.955 1.00 0.00 C ATOM 0 H THR A 43 6.505 1.352 0.747 1.00 0.00 H new ATOM 0 HA THR A 43 8.439 3.212 -0.538 1.00 0.00 H new ATOM 0 HB THR A 43 7.970 4.687 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.235 2.884 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.177 4.274 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.685 3.748 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.192 2.545 2.333 1.00 0.00 H new ATOM 690 N LYS A 44 10.343 2.230 1.159 1.00 0.00 N ATOM 691 CA LYS A 44 11.458 1.401 1.603 1.00 0.00 C ATOM 692 C LYS A 44 11.289 1.011 3.070 1.00 0.00 C ATOM 693 O LYS A 44 12.172 0.386 3.658 1.00 0.00 O ATOM 694 CB LYS A 44 12.778 2.164 1.427 1.00 0.00 C ATOM 695 CG LYS A 44 12.967 2.572 -0.048 1.00 0.00 C ATOM 696 CD LYS A 44 13.631 1.432 -0.846 1.00 0.00 C ATOM 697 CE LYS A 44 15.157 1.514 -0.718 1.00 0.00 C ATOM 698 NZ LYS A 44 15.628 2.834 -1.225 1.00 0.00 N ATOM 0 H LYS A 44 10.531 3.233 1.163 1.00 0.00 H new ATOM 0 HA LYS A 44 11.475 0.495 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.780 3.051 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.612 1.541 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.001 2.818 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.582 3.470 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.279 0.468 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.343 1.497 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.453 1.386 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.624 0.708 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.600 2.741 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.004 3.154 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.610 3.529 -0.452 1.00 0.00 H new ATOM 712 N LEU A 45 10.154 1.381 3.657 1.00 0.00 N ATOM 713 CA LEU A 45 9.895 1.057 5.056 1.00 0.00 C ATOM 714 C LEU A 45 10.163 -0.432 5.303 1.00 0.00 C ATOM 715 O LEU A 45 11.285 -0.821 5.626 1.00 0.00 O ATOM 716 CB LEU A 45 8.427 1.421 5.420 1.00 0.00 C ATOM 717 CG LEU A 45 8.335 2.760 6.191 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.145 2.700 7.507 1.00 0.00 C ATOM 719 CD2 LEU A 45 8.832 3.920 5.308 1.00 0.00 C ATOM 0 H LEU A 45 9.408 1.899 3.193 1.00 0.00 H new ATOM 0 HA LEU A 45 10.562 1.639 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.833 1.486 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.995 0.624 6.025 1.00 0.00 H new ATOM 0 HG LEU A 45 7.289 2.934 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.063 3.654 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.752 1.905 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.192 2.499 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.762 4.856 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.870 3.743 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.217 3.983 4.410 1.00 0.00 H new ATOM 731 N ALA A 46 9.126 -1.253 5.151 1.00 0.00 N ATOM 732 CA ALA A 46 9.257 -2.691 5.361 1.00 0.00 C ATOM 733 C ALA A 46 7.908 -3.379 5.174 1.00 0.00 C ATOM 734 O ALA A 46 7.769 -4.577 5.426 1.00 0.00 O ATOM 735 CB ALA A 46 9.782 -2.970 6.775 1.00 0.00 C ATOM 0 H ALA A 46 8.190 -0.948 4.884 1.00 0.00 H new ATOM 0 HA ALA A 46 9.962 -3.085 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.876 -4.046 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.757 -2.500 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.086 -2.563 7.508 1.00 0.00 H new ATOM 741 N LYS A 47 6.914 -2.612 4.737 1.00 0.00 N ATOM 742 CA LYS A 47 5.575 -3.153 4.526 1.00 0.00 C ATOM 743 C LYS A 47 4.794 -2.280 3.544 1.00 0.00 C ATOM 744 O LYS A 47 5.264 -1.221 3.130 1.00 0.00 O ATOM 745 CB LYS A 47 4.832 -3.245 5.871 1.00 0.00 C ATOM 746 CG LYS A 47 5.265 -2.095 6.787 1.00 0.00 C ATOM 747 CD LYS A 47 5.023 -0.753 6.088 1.00 0.00 C ATOM 748 CE LYS A 47 5.080 0.379 7.117 1.00 0.00 C ATOM 749 NZ LYS A 47 3.811 0.403 7.900 1.00 0.00 N ATOM 0 H LYS A 47 7.009 -1.619 4.523 1.00 0.00 H new ATOM 0 HA LYS A 47 5.661 -4.153 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.756 -3.203 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.044 -4.201 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.707 -2.134 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.320 -2.198 7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.774 -0.593 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.052 -0.759 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.929 0.235 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.228 1.335 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.528 1.389 8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.064 -0.084 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.955 -0.079 8.810 1.00 0.00 H new ATOM 763 N ASP A 48 3.601 -2.742 3.167 1.00 0.00 N ATOM 764 CA ASP A 48 2.757 -2.008 2.222 1.00 0.00 C ATOM 765 C ASP A 48 1.773 -1.099 2.955 1.00 0.00 C ATOM 766 O ASP A 48 1.305 -1.423 4.047 1.00 0.00 O ATOM 767 CB ASP A 48 1.986 -2.998 1.346 1.00 0.00 C ATOM 768 CG ASP A 48 2.902 -4.140 0.920 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.897 -3.864 0.271 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.593 -5.274 1.249 1.00 0.00 O ATOM 0 H ASP A 48 3.198 -3.618 3.500 1.00 0.00 H new ATOM 0 HA ASP A 48 3.400 -1.386 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.131 -3.392 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.593 -2.488 0.466 1.00 0.00 H new ATOM 775 N ILE A 49 1.462 0.042 2.336 1.00 0.00 N ATOM 776 CA ILE A 49 0.529 1.015 2.912 1.00 0.00 C ATOM 777 C ILE A 49 -0.672 1.202 1.989 1.00 0.00 C ATOM 778 O ILE A 49 -0.508 1.415 0.791 1.00 0.00 O ATOM 779 CB ILE A 49 1.238 2.359 3.086 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.518 2.170 3.914 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.305 3.353 3.778 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.201 1.540 5.278 1.00 0.00 C ATOM 0 H ILE A 49 1.845 0.316 1.431 1.00 0.00 H new ATOM 0 HA ILE A 49 0.187 0.646 3.879 1.00 0.00 H new ATOM 0 HB ILE A 49 1.507 2.752 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.217 1.535 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.008 3.133 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.816 4.308 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.590 3.494 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.023 2.966 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.124 1.417 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.520 2.189 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.734 0.567 5.129 1.00 0.00 H new ATOM 794 N CYS A 50 -1.880 1.125 2.549 1.00 0.00 N ATOM 795 CA CYS A 50 -3.104 1.288 1.755 1.00 0.00 C ATOM 796 C CYS A 50 -3.672 2.693 1.922 1.00 0.00 C ATOM 797 O CYS A 50 -3.400 3.370 2.912 1.00 0.00 O ATOM 798 CB CYS A 50 -4.154 0.271 2.203 1.00 0.00 C ATOM 799 SG CYS A 50 -3.647 -1.388 1.682 1.00 0.00 S ATOM 0 H CYS A 50 -2.039 0.952 3.542 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.853 1.127 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.269 0.304 3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.124 0.519 1.771 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.419 -2.273 2.240 1.00 0.00 H new ATOM 804 N ALA A 51 -4.465 3.124 0.944 1.00 0.00 N ATOM 805 CA ALA A 51 -5.068 4.450 0.994 1.00 0.00 C ATOM 806 C ALA A 51 -6.125 4.598 -0.104 1.00 0.00 C ATOM 807 O ALA A 51 -5.914 4.179 -1.241 1.00 0.00 O ATOM 808 CB ALA A 51 -3.974 5.521 0.847 1.00 0.00 C ATOM 0 H ALA A 51 -4.702 2.579 0.115 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.562 4.583 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.427 6.512 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.254 5.420 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.464 5.391 -0.108 1.00 0.00 H new ATOM 814 N ASP A 52 -7.263 5.189 0.253 1.00 0.00 N ATOM 815 CA ASP A 52 -8.357 5.379 -0.699 1.00 0.00 C ATOM 816 C ASP A 52 -8.179 6.688 -1.491 1.00 0.00 C ATOM 817 O ASP A 52 -7.788 7.703 -0.915 1.00 0.00 O ATOM 818 CB ASP A 52 -9.682 5.428 0.069 1.00 0.00 C ATOM 819 CG ASP A 52 -10.835 5.745 -0.875 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.795 6.792 -1.499 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.743 4.934 -0.964 1.00 0.00 O ATOM 0 H ASP A 52 -7.452 5.544 1.190 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.356 4.548 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.860 4.472 0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.627 6.184 0.852 1.00 0.00 H new ATOM 826 N PRO A 53 -8.459 6.700 -2.785 1.00 0.00 N ATOM 827 CA PRO A 53 -8.319 7.940 -3.614 1.00 0.00 C ATOM 828 C PRO A 53 -9.316 9.024 -3.202 1.00 0.00 C ATOM 829 O PRO A 53 -10.219 9.380 -3.960 1.00 0.00 O ATOM 830 CB PRO A 53 -8.560 7.453 -5.054 1.00 0.00 C ATOM 831 CG PRO A 53 -9.374 6.209 -4.910 1.00 0.00 C ATOM 832 CD PRO A 53 -8.927 5.561 -3.600 1.00 0.00 C ATOM 0 HA PRO A 53 -7.344 8.411 -3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.088 8.204 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.619 7.252 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.439 6.440 -4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.212 5.537 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.748 5.032 -3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.132 4.833 -3.764 1.00 0.00 H new ATOM 840 N LYS A 54 -9.133 9.548 -1.992 1.00 0.00 N ATOM 841 CA LYS A 54 -10.000 10.601 -1.465 1.00 0.00 C ATOM 842 C LYS A 54 -9.171 11.596 -0.662 1.00 0.00 C ATOM 843 O LYS A 54 -9.255 12.805 -0.875 1.00 0.00 O ATOM 844 CB LYS A 54 -11.089 9.989 -0.572 1.00 0.00 C ATOM 845 CG LYS A 54 -12.183 9.361 -1.447 1.00 0.00 C ATOM 846 CD LYS A 54 -13.042 8.407 -0.610 1.00 0.00 C ATOM 847 CE LYS A 54 -13.945 7.593 -1.539 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.673 6.562 -0.747 1.00 0.00 N ATOM 0 H LYS A 54 -8.390 9.260 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.476 11.119 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.654 9.233 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.520 10.757 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.808 10.143 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.730 8.821 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.405 7.741 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.646 8.971 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.655 8.250 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.349 7.116 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.287 6.009 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.987 5.929 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.254 7.028 -0.021 1.00 0.00 H new ATOM 862 N LYS A 55 -8.358 11.077 0.254 1.00 0.00 N ATOM 863 CA LYS A 55 -7.504 11.934 1.070 1.00 0.00 C ATOM 864 C LYS A 55 -6.521 12.673 0.157 1.00 0.00 C ATOM 865 O LYS A 55 -6.080 12.136 -0.857 1.00 0.00 O ATOM 866 CB LYS A 55 -6.761 11.102 2.152 1.00 0.00 C ATOM 867 CG LYS A 55 -7.260 9.647 2.128 1.00 0.00 C ATOM 868 CD LYS A 55 -6.602 8.833 3.258 1.00 0.00 C ATOM 869 CE LYS A 55 -7.374 9.016 4.572 1.00 0.00 C ATOM 870 NZ LYS A 55 -8.805 8.647 4.371 1.00 0.00 N ATOM 0 H LYS A 55 -8.273 10.079 0.448 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.116 12.667 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.687 11.130 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.929 11.537 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.344 9.626 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.031 9.193 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.578 7.777 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.568 9.152 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.935 8.395 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.299 10.050 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.188 8.249 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.348 9.494 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.878 7.940 3.612 1.00 0.00 H new ATOM 884 N LYS A 56 -6.217 13.916 0.503 1.00 0.00 N ATOM 885 CA LYS A 56 -5.328 14.743 -0.313 1.00 0.00 C ATOM 886 C LYS A 56 -3.995 14.060 -0.638 1.00 0.00 C ATOM 887 O LYS A 56 -3.630 13.942 -1.808 1.00 0.00 O ATOM 888 CB LYS A 56 -5.052 16.066 0.406 1.00 0.00 C ATOM 889 CG LYS A 56 -4.466 17.079 -0.583 1.00 0.00 C ATOM 890 CD LYS A 56 -3.837 18.242 0.185 1.00 0.00 C ATOM 891 CE LYS A 56 -3.579 19.409 -0.771 1.00 0.00 C ATOM 892 NZ LYS A 56 -2.977 20.545 -0.017 1.00 0.00 N ATOM 0 H LYS A 56 -6.570 14.377 1.341 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.841 14.913 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.974 16.456 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.358 15.905 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.717 16.597 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.248 17.449 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.499 18.559 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.902 17.923 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.910 19.095 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.512 19.723 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.801 21.338 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.630 20.849 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.078 20.241 0.409 1.00 0.00 H new ATOM 906 N TRP A 57 -3.248 13.653 0.384 1.00 0.00 N ATOM 907 CA TRP A 57 -1.941 13.038 0.148 1.00 0.00 C ATOM 908 C TRP A 57 -2.034 11.823 -0.773 1.00 0.00 C ATOM 909 O TRP A 57 -1.071 11.496 -1.466 1.00 0.00 O ATOM 910 CB TRP A 57 -1.269 12.652 1.471 1.00 0.00 C ATOM 911 CG TRP A 57 -1.892 11.422 2.049 1.00 0.00 C ATOM 912 CD1 TRP A 57 -2.979 11.407 2.851 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.473 10.032 1.899 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.255 10.100 3.205 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.358 9.215 2.641 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.424 9.405 1.198 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.209 7.829 2.689 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.272 8.010 1.243 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.163 7.223 1.988 1.00 0.00 C ATOM 0 H TRP A 57 -3.515 13.734 1.365 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.326 13.785 -0.354 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.205 12.482 1.307 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.355 13.475 2.180 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.541 12.275 3.164 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.028 9.823 3.810 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.268 10.002 0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -2.898 7.228 3.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.535 7.540 0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.041 6.150 2.020 1.00 0.00 H new ATOM 930 N VAL A 58 -3.182 11.159 -0.794 1.00 0.00 N ATOM 931 CA VAL A 58 -3.340 9.996 -1.659 1.00 0.00 C ATOM 932 C VAL A 58 -3.342 10.430 -3.119 1.00 0.00 C ATOM 933 O VAL A 58 -2.585 9.904 -3.928 1.00 0.00 O ATOM 934 CB VAL A 58 -4.640 9.249 -1.334 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.867 8.122 -2.351 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.543 8.645 0.069 1.00 0.00 C ATOM 0 H VAL A 58 -4.001 11.398 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.502 9.321 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.473 9.950 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.792 7.597 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.938 8.545 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.032 7.422 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.466 8.114 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.705 7.950 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.389 9.441 0.798 1.00 0.00 H new ATOM 946 N GLN A 59 -4.201 11.386 -3.451 1.00 0.00 N ATOM 947 CA GLN A 59 -4.286 11.869 -4.825 1.00 0.00 C ATOM 948 C GLN A 59 -3.019 12.636 -5.207 1.00 0.00 C ATOM 949 O GLN A 59 -2.589 12.608 -6.360 1.00 0.00 O ATOM 950 CB GLN A 59 -5.525 12.770 -4.996 1.00 0.00 C ATOM 951 CG GLN A 59 -6.638 12.329 -4.029 1.00 0.00 C ATOM 952 CD GLN A 59 -8.006 12.755 -4.561 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.605 12.049 -5.371 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.534 13.876 -4.151 1.00 0.00 N ATOM 0 H GLN A 59 -4.841 11.838 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.380 11.009 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.258 13.809 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.884 12.717 -6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.611 11.247 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.470 12.769 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.035 14.459 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.446 14.169 -4.502 1.00 0.00 H new ATOM 963 N ASP A 60 -2.436 13.327 -4.233 1.00 0.00 N ATOM 964 CA ASP A 60 -1.229 14.111 -4.476 1.00 0.00 C ATOM 965 C ASP A 60 0.009 13.218 -4.564 1.00 0.00 C ATOM 966 O ASP A 60 0.988 13.568 -5.223 1.00 0.00 O ATOM 967 CB ASP A 60 -1.039 15.130 -3.350 1.00 0.00 C ATOM 968 CG ASP A 60 -0.051 16.211 -3.780 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.373 16.950 -4.696 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.013 16.283 -3.187 1.00 0.00 O ATOM 0 H ASP A 60 -2.777 13.361 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.350 14.625 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.997 15.583 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.674 14.629 -2.454 1.00 0.00 H new ATOM 975 N SER A 61 -0.031 12.075 -3.887 1.00 0.00 N ATOM 976 CA SER A 61 1.107 11.159 -3.891 1.00 0.00 C ATOM 977 C SER A 61 1.332 10.557 -5.280 1.00 0.00 C ATOM 978 O SER A 61 2.446 10.594 -5.802 1.00 0.00 O ATOM 979 CB SER A 61 0.879 10.040 -2.871 1.00 0.00 C ATOM 980 OG SER A 61 -0.463 9.586 -2.967 1.00 0.00 O ATOM 0 H SER A 61 -0.829 11.762 -3.334 1.00 0.00 H new ATOM 0 HA SER A 61 1.997 11.726 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.568 9.216 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.081 10.403 -1.863 1.00 0.00 H new ATOM 0 HG SER A 61 -0.475 8.607 -3.001 1.00 0.00 H new ATOM 986 N MET A 62 0.279 10.000 -5.874 1.00 0.00 N ATOM 987 CA MET A 62 0.404 9.396 -7.199 1.00 0.00 C ATOM 988 C MET A 62 0.629 10.470 -8.259 1.00 0.00 C ATOM 989 O MET A 62 1.353 10.251 -9.231 1.00 0.00 O ATOM 990 CB MET A 62 -0.848 8.583 -7.542 1.00 0.00 C ATOM 991 CG MET A 62 -2.097 9.406 -7.237 1.00 0.00 C ATOM 992 SD MET A 62 -3.549 8.596 -7.957 1.00 0.00 S ATOM 993 CE MET A 62 -4.095 7.710 -6.475 1.00 0.00 C ATOM 0 H MET A 62 -0.655 9.954 -5.468 1.00 0.00 H new ATOM 0 HA MET A 62 1.265 8.728 -7.185 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.834 8.303 -8.595 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.861 7.658 -6.966 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.223 9.509 -6.159 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.990 10.412 -7.643 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.067 7.253 -6.662 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.370 6.934 -6.227 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.177 8.409 -5.643 1.00 0.00 H new ATOM 1003 N LYS A 63 0.017 11.633 -8.063 1.00 0.00 N ATOM 1004 CA LYS A 63 0.175 12.731 -9.010 1.00 0.00 C ATOM 1005 C LYS A 63 1.644 13.127 -9.085 1.00 0.00 C ATOM 1006 O LYS A 63 2.180 13.384 -10.163 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.674 13.929 -8.564 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.392 15.152 -9.450 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.567 14.785 -10.931 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.788 16.056 -11.756 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.051 16.717 -11.322 1.00 0.00 N ATOM 0 H LYS A 63 -0.586 11.839 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.160 12.412 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.732 13.671 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.456 14.169 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.069 15.965 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.622 15.512 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.315 14.255 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.415 14.110 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.054 16.737 -11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.840 15.810 -12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.471 17.226 -12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.720 15.997 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.845 17.390 -10.556 1.00 0.00 H new ATOM 1025 N TYR A 64 2.289 13.158 -7.925 1.00 0.00 N ATOM 1026 CA TYR A 64 3.701 13.504 -7.850 1.00 0.00 C ATOM 1027 C TYR A 64 4.525 12.453 -8.601 1.00 0.00 C ATOM 1028 O TYR A 64 5.551 12.766 -9.202 1.00 0.00 O ATOM 1029 CB TYR A 64 4.110 13.609 -6.355 1.00 0.00 C ATOM 1030 CG TYR A 64 5.458 12.959 -6.087 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.588 13.372 -6.803 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.572 11.948 -5.122 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.830 12.775 -6.555 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.814 11.353 -4.874 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.943 11.766 -5.591 1.00 0.00 C ATOM 1036 OH TYR A 64 9.168 11.179 -5.347 1.00 0.00 O ATOM 0 H TYR A 64 1.857 12.948 -7.025 1.00 0.00 H new ATOM 0 HA TYR A 64 3.891 14.467 -8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.149 14.658 -6.062 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.349 13.134 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.502 14.151 -7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.701 11.628 -4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.702 13.093 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.901 10.575 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 64 9.071 10.499 -4.648 1.00 0.00 H new ATOM 1046 N LEU A 65 4.060 11.209 -8.559 1.00 0.00 N ATOM 1047 CA LEU A 65 4.755 10.121 -9.239 1.00 0.00 C ATOM 1048 C LEU A 65 4.536 10.210 -10.745 1.00 0.00 C ATOM 1049 O LEU A 65 5.292 9.638 -11.529 1.00 0.00 O ATOM 1050 CB LEU A 65 4.249 8.766 -8.708 1.00 0.00 C ATOM 1051 CG LEU A 65 4.961 8.418 -7.378 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.061 7.518 -6.518 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.285 7.693 -7.676 1.00 0.00 C ATOM 0 H LEU A 65 3.212 10.930 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 65 5.823 10.206 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.171 8.807 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.436 7.985 -9.445 1.00 0.00 H new ATOM 0 HG LEU A 65 5.166 9.339 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.571 7.279 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.129 8.039 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.844 6.597 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.785 7.449 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.081 6.776 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.928 8.340 -8.272 1.00 0.00 H new ATOM 1065 N ASP A 66 3.497 10.931 -11.141 1.00 0.00 N ATOM 1066 CA ASP A 66 3.182 11.091 -12.554 1.00 0.00 C ATOM 1067 C ASP A 66 4.202 12.004 -13.231 1.00 0.00 C ATOM 1068 O ASP A 66 4.521 11.832 -14.407 1.00 0.00 O ATOM 1069 CB ASP A 66 1.777 11.679 -12.701 1.00 0.00 C ATOM 1070 CG ASP A 66 1.235 11.414 -14.102 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.968 10.263 -14.405 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.096 12.366 -14.852 1.00 0.00 O ATOM 0 H ASP A 66 2.860 11.413 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 66 3.220 10.114 -13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.112 11.239 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.803 12.752 -12.511 1.00 0.00 H new ATOM 1077 N GLN A 67 4.705 12.978 -12.480 1.00 0.00 N ATOM 1078 CA GLN A 67 5.684 13.917 -13.016 1.00 0.00 C ATOM 1079 C GLN A 67 6.989 13.204 -13.357 1.00 0.00 C ATOM 1080 O GLN A 67 7.486 13.304 -14.480 1.00 0.00 O ATOM 1081 CB GLN A 67 5.955 15.023 -11.996 1.00 0.00 C ATOM 1082 CG GLN A 67 4.644 15.736 -11.660 1.00 0.00 C ATOM 1083 CD GLN A 67 4.194 16.583 -12.846 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.732 17.666 -13.075 1.00 0.00 O ATOM 1085 NE2 GLN A 67 3.232 16.153 -13.615 1.00 0.00 N ATOM 0 H GLN A 67 4.453 13.138 -11.505 1.00 0.00 H new ATOM 0 HA GLN A 67 5.277 14.353 -13.928 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.394 14.600 -11.092 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.676 15.735 -12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.875 15.004 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.778 16.367 -10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.788 15.255 -13.423 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.924 16.715 -14.409 1.00 0.00 H new ATOM 1094 N LYS A 68 7.542 12.486 -12.385 1.00 0.00 N ATOM 1095 CA LYS A 68 8.793 11.764 -12.599 1.00 0.00 C ATOM 1096 C LYS A 68 8.549 10.493 -13.408 1.00 0.00 C ATOM 1097 O LYS A 68 9.375 10.104 -14.234 1.00 0.00 O ATOM 1098 CB LYS A 68 9.435 11.409 -11.256 1.00 0.00 C ATOM 1099 CG LYS A 68 8.450 10.586 -10.418 1.00 0.00 C ATOM 1100 CD LYS A 68 8.982 10.409 -8.988 1.00 0.00 C ATOM 1101 CE LYS A 68 10.026 9.286 -8.951 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.456 9.057 -7.543 1.00 0.00 N ATOM 0 H LYS A 68 7.149 12.388 -11.449 1.00 0.00 H new ATOM 0 HA LYS A 68 9.469 12.410 -13.159 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.352 10.843 -11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.712 12.318 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.480 11.083 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.297 9.610 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.426 11.341 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.160 10.175 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.607 8.371 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.885 9.553 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.491 9.139 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.013 9.766 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.165 8.105 -7.242 1.00 0.00 H new ATOM 1116 N SER A 69 7.408 9.851 -13.172 1.00 0.00 N ATOM 1117 CA SER A 69 7.070 8.627 -13.893 1.00 0.00 C ATOM 1118 C SER A 69 8.125 7.544 -13.649 1.00 0.00 C ATOM 1119 O SER A 69 9.066 7.405 -14.430 1.00 0.00 O ATOM 1120 CB SER A 69 6.987 8.921 -15.391 1.00 0.00 C ATOM 1121 OG SER A 69 6.272 10.133 -15.592 1.00 0.00 O ATOM 0 H SER A 69 6.708 10.154 -12.494 1.00 0.00 H new ATOM 0 HA SER A 69 6.107 8.268 -13.530 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.988 9.002 -15.814 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.488 8.101 -15.907 1.00 0.00 H new ATOM 0 HG SER A 69 5.649 10.272 -14.848 1.00 0.00 H new ATOM 1127 N PRO A 70 7.994 6.780 -12.591 1.00 0.00 N ATOM 1128 CA PRO A 70 8.968 5.695 -12.261 1.00 0.00 C ATOM 1129 C PRO A 70 9.262 4.801 -13.466 1.00 0.00 C ATOM 1130 O PRO A 70 8.478 4.742 -14.413 1.00 0.00 O ATOM 1131 CB PRO A 70 8.270 4.913 -11.140 1.00 0.00 C ATOM 1132 CG PRO A 70 7.373 5.911 -10.481 1.00 0.00 C ATOM 1133 CD PRO A 70 6.910 6.857 -11.592 1.00 0.00 C ATOM 0 HA PRO A 70 9.941 6.087 -11.965 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.702 4.072 -11.538 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.992 4.503 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.523 5.419 -10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.902 6.456 -9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.955 6.543 -12.013 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.777 7.874 -11.223 1.00 0.00 H new ATOM 1368 N ASP B 218 7.973 11.373 11.768 1.00 0.00 N ATOM 1369 CA ASP B 218 8.784 12.426 12.368 1.00 0.00 C ATOM 1370 C ASP B 218 9.946 11.823 13.150 1.00 0.00 C ATOM 1371 O ASP B 218 10.962 12.482 13.377 1.00 0.00 O ATOM 1372 CB ASP B 218 7.925 13.279 13.303 1.00 0.00 C ATOM 1373 CG ASP B 218 8.689 14.534 13.713 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.966 15.345 12.846 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.985 14.664 14.889 1.00 0.00 O ATOM 0 HA ASP B 218 9.182 13.053 11.570 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.995 13.555 12.805 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.654 12.703 14.188 1.00 0.00 H new ATOM 1380 N ASP B 219 9.790 10.569 13.557 1.00 0.00 N ATOM 1381 CA ASP B 219 10.834 9.886 14.311 1.00 0.00 C ATOM 1382 C ASP B 219 12.000 9.525 13.398 1.00 0.00 C ATOM 1383 O ASP B 219 13.152 9.495 13.828 1.00 0.00 O ATOM 1384 CB ASP B 219 10.272 8.615 14.951 1.00 0.00 C ATOM 1385 CG ASP B 219 9.311 8.981 16.078 1.00 0.00 C ATOM 1386 OD1 ASP B 219 9.663 9.833 16.876 1.00 0.00 O ATOM 1387 OD2 ASP B 219 8.238 8.402 16.125 1.00 0.00 O ATOM 0 H ASP B 219 8.957 10.008 13.379 1.00 0.00 H new ATOM 0 HA ASP B 219 11.191 10.557 15.093 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.755 8.018 14.200 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.086 8.003 15.340 1.00 0.00 H new ATOM 1392 N VAL B 220 11.688 9.254 12.133 1.00 0.00 N ATOM 1393 CA VAL B 220 12.712 8.897 11.155 1.00 0.00 C ATOM 1394 C VAL B 220 13.404 7.598 11.552 1.00 0.00 C ATOM 1395 O VAL B 220 13.239 6.571 10.891 1.00 0.00 O ATOM 1396 CB VAL B 220 13.743 10.022 11.042 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.568 9.836 9.767 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.020 11.371 10.990 1.00 0.00 C ATOM 0 H VAL B 220 10.738 9.275 11.762 1.00 0.00 H new ATOM 0 HA VAL B 220 12.230 8.753 10.188 1.00 0.00 H new ATOM 0 HB VAL B 220 14.405 9.996 11.908 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.302 10.638 9.688 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.083 8.876 9.803 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.908 9.861 8.900 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.753 12.174 10.910 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.358 11.396 10.124 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.434 11.505 11.899 1.00 0.00 H new ATOM 1408 N GLY B 221 14.177 7.643 12.634 1.00 0.00 N ATOM 1409 CA GLY B 221 14.885 6.456 13.107 1.00 0.00 C ATOM 1410 C GLY B 221 13.990 5.223 13.033 1.00 0.00 C ATOM 1411 O GLY B 221 14.473 4.090 13.022 1.00 0.00 O ATOM 0 H GLY B 221 14.329 8.481 13.196 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.780 6.297 12.505 1.00 0.00 H new ATOM 0 HA3 GLY B 221 15.215 6.610 14.134 1.00 0.00 H new ATOM 1415 N LEU B 222 12.682 5.454 12.978 1.00 0.00 N ATOM 1416 CA LEU B 222 11.722 4.359 12.900 1.00 0.00 C ATOM 1417 C LEU B 222 11.859 3.636 11.560 1.00 0.00 C ATOM 1418 O LEU B 222 11.201 3.992 10.582 1.00 0.00 O ATOM 1419 CB LEU B 222 10.296 4.911 13.060 1.00 0.00 C ATOM 1420 CG LEU B 222 9.354 3.819 13.585 1.00 0.00 C ATOM 1421 CD1 LEU B 222 7.940 4.391 13.713 1.00 0.00 C ATOM 1422 CD2 LEU B 222 9.340 2.629 12.614 1.00 0.00 C ATOM 0 H LEU B 222 12.264 6.385 12.986 1.00 0.00 H new ATOM 0 HA LEU B 222 11.922 3.649 13.702 1.00 0.00 H new ATOM 0 HB2 LEU B 222 10.302 5.756 13.748 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.934 5.283 12.101 1.00 0.00 H new ATOM 0 HG LEU B 222 9.703 3.479 14.560 1.00 0.00 H new ATOM 0 HD11 LEU B 222 7.267 3.618 14.086 1.00 0.00 H new ATOM 0 HD12 LEU B 222 7.949 5.231 14.408 1.00 0.00 H new ATOM 0 HD13 LEU B 222 7.596 4.732 12.737 1.00 0.00 H new ATOM 0 HD21 LEU B 222 8.669 1.858 12.993 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.994 2.962 11.635 1.00 0.00 H new ATOM 0 HD23 LEU B 222 10.347 2.222 12.523 1.00 0.00 H new ATOM 1434 N LEU B 223 12.720 2.625 11.524 1.00 0.00 N ATOM 1435 CA LEU B 223 12.937 1.864 10.299 1.00 0.00 C ATOM 1436 C LEU B 223 13.874 0.688 10.564 1.00 0.00 C ATOM 1437 O LEU B 223 15.062 0.924 10.700 1.00 0.00 O ATOM 1438 CB LEU B 223 13.530 2.780 9.218 1.00 0.00 C ATOM 1439 CG LEU B 223 13.987 1.960 8.003 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.867 1.012 7.557 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.331 2.915 6.855 1.00 0.00 C ATOM 1442 OXT LEU B 223 13.387 -0.429 10.625 1.00 0.00 O ATOM 0 H LEU B 223 13.275 2.315 12.322 1.00 0.00 H new ATOM 0 HA LEU B 223 11.981 1.473 9.951 1.00 0.00 H new ATOM 0 HB2 LEU B 223 12.786 3.514 8.909 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.374 3.335 9.627 1.00 0.00 H new ATOM 0 HG LEU B 223 14.864 1.372 8.274 1.00 0.00 H new ATOM 0 HD11 LEU B 223 13.201 0.435 6.695 1.00 0.00 H new ATOM 0 HD12 LEU B 223 12.618 0.334 8.373 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.985 1.593 7.286 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.657 2.340 5.988 1.00 0.00 H new ATOM 0 HD22 LEU B 223 13.450 3.500 6.592 1.00 0.00 H new ATOM 0 HD23 LEU B 223 15.132 3.585 7.167 1.00 0.00 H new