USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 23 HIS : no HD1:sc= 0.0483 K(o=0.94,f=-3.6!) USER MOD Set 1.2: A 54 CYS SG : rot 151:sc= -0.143 USER MOD Set 1.3: A 55 THR OG1 : rot 82:sc= 1.03 USER MOD Single : A 12 ASN : amide:sc= -0.0053 K(o=-0.0053,f=-1.6) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0387 (180deg=-0.28) USER MOD Single : A 24 SER OG : rot -41:sc= 0.724 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0511) USER MOD Single : A 27 MET CE :methyl 174:sc= -0.848 (180deg=-1.01) USER MOD Single : A 28 ASN : amide:sc= 0.772 K(o=0.77,f=-0.49) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 34 ASN : amide:sc= 0.418 K(o=0.42,f=-8.7!) USER MOD Single : A 37 LYS NZ :NH3+ 143:sc= 0.432 (180deg=0.0894) USER MOD Single : A 42 MET CE :methyl -106:sc= -0.508 (180deg=-3.19!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -2.52! (180deg=-4.34!) USER MOD Single : A 59 MET CE :methyl 137:sc= -0.428 (180deg=-1.7!) USER MOD Single : A 60 TYR OH : rot 61:sc= 0.603 USER MOD Single : A 68 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0019) USER MOD Single : A 70 THR OG1 : rot -42:sc= 1.09 USER MOD Single : A 71 GLN :FLIP amide:sc= -2.33! C(o=-3.9!,f=-2.3!) USER MOD Single : A 76 MET CE :methyl -164:sc= -0.148 (180deg=-0.544) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -1.28 (180deg=-2.93!) USER MOD Single : A 82 MET CE :methyl -141:sc= -0.17 (180deg=-2.52!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 0.960 -16.088 -0.640 1.00 13.02 N ATOM 165 CA PRO A 11 2.224 -15.466 -0.202 1.00 44.10 C ATOM 166 C PRO A 11 2.321 -15.348 1.329 1.00 35.42 C ATOM 167 O PRO A 11 1.345 -14.993 1.995 1.00 43.43 O ATOM 168 CB PRO A 11 2.182 -14.072 -0.852 1.00 43.30 C ATOM 169 CG PRO A 11 1.261 -14.226 -2.016 1.00 72.51 C ATOM 170 CD PRO A 11 0.223 -15.229 -1.587 1.00 64.23 C ATOM 0 HA PRO A 11 3.091 -16.059 -0.493 1.00 44.10 H new ATOM 0 HB2 PRO A 11 1.815 -13.320 -0.153 1.00 43.30 H new ATOM 0 HB3 PRO A 11 3.174 -13.754 -1.171 1.00 43.30 H new ATOM 0 HG2 PRO A 11 0.800 -13.274 -2.279 1.00 72.51 H new ATOM 0 HG3 PRO A 11 1.800 -14.573 -2.898 1.00 72.51 H new ATOM 0 HD2 PRO A 11 -0.632 -14.747 -1.113 1.00 64.23 H new ATOM 0 HD3 PRO A 11 -0.161 -15.799 -2.433 1.00 64.23 H new ATOM 178 N ASN A 12 3.493 -15.657 1.884 1.00 64.41 N ATOM 179 CA ASN A 12 3.705 -15.554 3.334 1.00 54.24 C ATOM 180 C ASN A 12 3.538 -14.099 3.812 1.00 72.21 C ATOM 181 O ASN A 12 3.890 -13.158 3.095 1.00 13.01 O ATOM 182 CB ASN A 12 5.099 -16.081 3.715 1.00 40.53 C ATOM 183 CG ASN A 12 5.315 -16.104 5.218 1.00 72.31 C ATOM 184 OD1 ASN A 12 4.376 -16.285 5.985 1.00 24.15 O ATOM 185 ND2 ASN A 12 6.546 -15.918 5.651 1.00 3.40 N ATOM 0 H ASN A 12 4.306 -15.979 1.359 1.00 64.41 H new ATOM 0 HA ASN A 12 2.952 -16.167 3.829 1.00 54.24 H new ATOM 0 HB2 ASN A 12 5.226 -17.088 3.316 1.00 40.53 H new ATOM 0 HB3 ASN A 12 5.861 -15.456 3.250 1.00 40.53 H new ATOM 0 HD21 ASN A 12 6.740 -15.922 6.652 1.00 3.40 H new ATOM 0 HD22 ASN A 12 7.304 -15.770 4.985 1.00 3.40 H new ATOM 192 N GLU A 13 3.017 -13.917 5.028 1.00 61.43 N ATOM 193 CA GLU A 13 2.748 -12.575 5.559 1.00 70.20 C ATOM 194 C GLU A 13 4.017 -11.707 5.576 1.00 71.43 C ATOM 195 O GLU A 13 3.984 -10.539 5.182 1.00 33.30 O ATOM 196 CB GLU A 13 2.126 -12.660 6.960 1.00 25.30 C ATOM 197 CG GLU A 13 1.736 -11.301 7.534 1.00 42.41 C ATOM 198 CD GLU A 13 0.807 -11.410 8.732 1.00 50.23 C ATOM 199 OE1 GLU A 13 -0.415 -11.530 8.522 1.00 23.12 O ATOM 200 OE2 GLU A 13 1.290 -11.372 9.881 1.00 21.31 O ATOM 0 H GLU A 13 2.773 -14.678 5.662 1.00 61.43 H new ATOM 0 HA GLU A 13 2.032 -12.095 4.892 1.00 70.20 H new ATOM 0 HB2 GLU A 13 1.242 -13.296 6.919 1.00 25.30 H new ATOM 0 HB3 GLU A 13 2.834 -13.142 7.635 1.00 25.30 H new ATOM 0 HG2 GLU A 13 2.638 -10.764 7.828 1.00 42.41 H new ATOM 0 HG3 GLU A 13 1.251 -10.710 6.757 1.00 42.41 H new ATOM 207 N GLU A 14 5.132 -12.289 6.012 1.00 21.01 N ATOM 208 CA GLU A 14 6.427 -11.600 5.976 1.00 20.03 C ATOM 209 C GLU A 14 6.807 -11.199 4.538 1.00 24.21 C ATOM 210 O GLU A 14 7.352 -10.118 4.307 1.00 24.42 O ATOM 211 CB GLU A 14 7.524 -12.500 6.563 1.00 73.20 C ATOM 212 CG GLU A 14 7.299 -12.894 8.019 1.00 3.22 C ATOM 213 CD GLU A 14 7.266 -11.701 8.962 1.00 51.24 C ATOM 214 OE1 GLU A 14 8.301 -11.013 9.094 1.00 25.20 O ATOM 215 OE2 GLU A 14 6.216 -11.463 9.588 1.00 74.22 O ATOM 0 H GLU A 14 5.169 -13.234 6.394 1.00 21.01 H new ATOM 0 HA GLU A 14 6.338 -10.694 6.576 1.00 20.03 H new ATOM 0 HB2 GLU A 14 7.596 -13.406 5.961 1.00 73.20 H new ATOM 0 HB3 GLU A 14 8.482 -11.986 6.482 1.00 73.20 H new ATOM 0 HG2 GLU A 14 6.359 -13.440 8.100 1.00 3.22 H new ATOM 0 HG3 GLU A 14 8.091 -13.575 8.331 1.00 3.22 H new ATOM 222 N ALA A 15 6.496 -12.074 3.578 1.00 71.53 N ATOM 223 CA ALA A 15 6.849 -11.850 2.168 1.00 11.23 C ATOM 224 C ALA A 15 6.050 -10.689 1.551 1.00 23.35 C ATOM 225 O ALA A 15 6.625 -9.788 0.942 1.00 75.33 O ATOM 226 CB ALA A 15 6.632 -13.129 1.367 1.00 63.25 C ATOM 0 H ALA A 15 5.999 -12.948 3.750 1.00 71.53 H new ATOM 0 HA ALA A 15 7.903 -11.574 2.130 1.00 11.23 H new ATOM 0 HB1 ALA A 15 6.896 -12.954 0.324 1.00 63.25 H new ATOM 0 HB2 ALA A 15 7.260 -13.923 1.772 1.00 63.25 H new ATOM 0 HB3 ALA A 15 5.585 -13.426 1.432 1.00 63.25 H new ATOM 232 N ARG A 16 4.723 -10.708 1.717 1.00 42.23 N ATOM 233 CA ARG A 16 3.874 -9.627 1.192 1.00 44.22 C ATOM 234 C ARG A 16 4.232 -8.279 1.844 1.00 42.50 C ATOM 235 O ARG A 16 4.170 -7.228 1.204 1.00 44.13 O ATOM 236 CB ARG A 16 2.380 -9.956 1.383 1.00 3.23 C ATOM 237 CG ARG A 16 1.954 -10.168 2.833 1.00 3.21 C ATOM 238 CD ARG A 16 0.473 -10.524 2.946 1.00 50.14 C ATOM 239 NE ARG A 16 0.069 -10.784 4.327 1.00 2.52 N ATOM 240 CZ ARG A 16 -1.131 -11.174 4.680 1.00 25.34 C ATOM 241 NH1 ARG A 16 -2.074 -11.281 3.801 1.00 33.51 N ATOM 242 NH2 ARG A 16 -1.392 -11.442 5.921 1.00 15.23 N ATOM 0 H ARG A 16 4.217 -11.448 2.203 1.00 42.23 H new ATOM 0 HA ARG A 16 4.063 -9.541 0.122 1.00 44.22 H new ATOM 0 HB2 ARG A 16 1.787 -9.146 0.959 1.00 3.23 H new ATOM 0 HB3 ARG A 16 2.144 -10.855 0.814 1.00 3.23 H new ATOM 0 HG2 ARG A 16 2.553 -10.964 3.275 1.00 3.21 H new ATOM 0 HG3 ARG A 16 2.154 -9.263 3.406 1.00 3.21 H new ATOM 0 HD2 ARG A 16 -0.126 -9.708 2.542 1.00 50.14 H new ATOM 0 HD3 ARG A 16 0.266 -11.404 2.337 1.00 50.14 H new ATOM 0 HE ARG A 16 0.765 -10.654 5.061 1.00 2.52 H new ATOM 0 HH11 ARG A 16 -1.887 -11.061 2.823 1.00 33.51 H new ATOM 0 HH12 ARG A 16 -3.005 -11.585 4.086 1.00 33.51 H new ATOM 0 HH21 ARG A 16 -0.662 -11.350 6.627 1.00 15.23 H new ATOM 0 HH22 ARG A 16 -2.328 -11.745 6.191 1.00 15.23 H new ATOM 256 N LEU A 17 4.629 -8.325 3.116 1.00 4.14 N ATOM 257 CA LEU A 17 5.115 -7.133 3.822 1.00 0.34 C ATOM 258 C LEU A 17 6.466 -6.665 3.250 1.00 3.54 C ATOM 259 O LEU A 17 6.727 -5.465 3.134 1.00 24.41 O ATOM 260 CB LEU A 17 5.244 -7.431 5.325 1.00 22.22 C ATOM 261 CG LEU A 17 5.780 -6.276 6.190 1.00 51.32 C ATOM 262 CD1 LEU A 17 4.919 -5.026 6.029 1.00 51.22 C ATOM 263 CD2 LEU A 17 5.853 -6.692 7.657 1.00 10.44 C ATOM 0 H LEU A 17 4.625 -9.174 3.681 1.00 4.14 H new ATOM 0 HA LEU A 17 4.393 -6.329 3.679 1.00 0.34 H new ATOM 0 HB2 LEU A 17 4.264 -7.721 5.705 1.00 22.22 H new ATOM 0 HB3 LEU A 17 5.902 -8.291 5.451 1.00 22.22 H new ATOM 0 HG LEU A 17 6.787 -6.038 5.848 1.00 51.32 H new ATOM 0 HD11 LEU A 17 5.320 -4.226 6.651 1.00 51.22 H new ATOM 0 HD12 LEU A 17 4.925 -4.712 4.985 1.00 51.22 H new ATOM 0 HD13 LEU A 17 3.897 -5.246 6.336 1.00 51.22 H new ATOM 0 HD21 LEU A 17 6.234 -5.862 8.252 1.00 10.44 H new ATOM 0 HD22 LEU A 17 4.857 -6.963 8.008 1.00 10.44 H new ATOM 0 HD23 LEU A 17 6.520 -7.548 7.760 1.00 10.44 H new ATOM 275 N ASP A 18 7.310 -7.624 2.885 1.00 64.11 N ATOM 276 CA ASP A 18 8.614 -7.337 2.283 1.00 15.42 C ATOM 277 C ASP A 18 8.449 -6.558 0.962 1.00 43.54 C ATOM 278 O ASP A 18 9.121 -5.548 0.732 1.00 22.54 O ATOM 279 CB ASP A 18 9.363 -8.655 2.046 1.00 4.44 C ATOM 280 CG ASP A 18 10.812 -8.452 1.647 1.00 33.31 C ATOM 281 OD1 ASP A 18 11.092 -8.306 0.442 1.00 70.43 O ATOM 282 OD2 ASP A 18 11.684 -8.435 2.541 1.00 20.34 O ATOM 0 H ASP A 18 7.114 -8.619 2.996 1.00 64.11 H new ATOM 0 HA ASP A 18 9.192 -6.713 2.964 1.00 15.42 H new ATOM 0 HB2 ASP A 18 9.323 -9.257 2.954 1.00 4.44 H new ATOM 0 HB3 ASP A 18 8.853 -9.221 1.266 1.00 4.44 H new ATOM 287 N ILE A 19 7.534 -7.031 0.110 1.00 21.14 N ATOM 288 CA ILE A 19 7.212 -6.361 -1.159 1.00 13.21 C ATOM 289 C ILE A 19 6.780 -4.903 -0.925 1.00 1.55 C ATOM 290 O ILE A 19 7.229 -3.980 -1.614 1.00 11.02 O ATOM 291 CB ILE A 19 6.064 -7.099 -1.900 1.00 64.34 C ATOM 292 CG1 ILE A 19 6.358 -8.604 -2.023 1.00 21.12 C ATOM 293 CG2 ILE A 19 5.830 -6.485 -3.281 1.00 31.44 C ATOM 294 CD1 ILE A 19 5.174 -9.410 -2.523 1.00 21.32 C ATOM 0 H ILE A 19 6.998 -7.883 0.276 1.00 21.14 H new ATOM 0 HA ILE A 19 8.117 -6.380 -1.766 1.00 13.21 H new ATOM 0 HB ILE A 19 5.156 -6.980 -1.309 1.00 64.34 H new ATOM 0 HG12 ILE A 19 7.199 -8.748 -2.701 1.00 21.12 H new ATOM 0 HG13 ILE A 19 6.664 -8.988 -1.050 1.00 21.12 H new ATOM 0 HG21 ILE A 19 5.022 -7.017 -3.783 1.00 31.44 H new ATOM 0 HG22 ILE A 19 5.560 -5.435 -3.171 1.00 31.44 H new ATOM 0 HG23 ILE A 19 6.741 -6.566 -3.874 1.00 31.44 H new ATOM 0 HD11 ILE A 19 5.451 -10.462 -2.586 1.00 21.32 H new ATOM 0 HD12 ILE A 19 4.338 -9.295 -1.833 1.00 21.32 H new ATOM 0 HD13 ILE A 19 4.881 -9.052 -3.510 1.00 21.32 H new ATOM 306 N LEU A 20 5.898 -4.708 0.054 1.00 1.02 N ATOM 307 CA LEU A 20 5.418 -3.371 0.422 1.00 31.42 C ATOM 308 C LEU A 20 6.575 -2.455 0.851 1.00 1.35 C ATOM 309 O LEU A 20 6.649 -1.299 0.432 1.00 12.53 O ATOM 310 CB LEU A 20 4.369 -3.482 1.535 1.00 11.52 C ATOM 311 CG LEU A 20 3.058 -4.167 1.112 1.00 74.43 C ATOM 312 CD1 LEU A 20 2.194 -4.496 2.322 1.00 63.13 C ATOM 313 CD2 LEU A 20 2.286 -3.287 0.128 1.00 11.41 C ATOM 0 H LEU A 20 5.497 -5.462 0.612 1.00 1.02 H new ATOM 0 HA LEU A 20 4.957 -2.920 -0.457 1.00 31.42 H new ATOM 0 HB2 LEU A 20 4.800 -4.035 2.369 1.00 11.52 H new ATOM 0 HB3 LEU A 20 4.139 -2.481 1.901 1.00 11.52 H new ATOM 0 HG LEU A 20 3.314 -5.103 0.616 1.00 74.43 H new ATOM 0 HD11 LEU A 20 1.274 -4.979 1.992 1.00 63.13 H new ATOM 0 HD12 LEU A 20 2.738 -5.167 2.986 1.00 63.13 H new ATOM 0 HD13 LEU A 20 1.950 -3.577 2.855 1.00 63.13 H new ATOM 0 HD21 LEU A 20 1.362 -3.788 -0.160 1.00 11.41 H new ATOM 0 HD22 LEU A 20 2.050 -2.333 0.600 1.00 11.41 H new ATOM 0 HD23 LEU A 20 2.895 -3.112 -0.759 1.00 11.41 H new ATOM 325 N LYS A 21 7.485 -2.978 1.673 1.00 52.14 N ATOM 326 CA LYS A 21 8.678 -2.224 2.077 1.00 10.24 C ATOM 327 C LYS A 21 9.514 -1.797 0.857 1.00 41.35 C ATOM 328 O LYS A 21 10.058 -0.694 0.824 1.00 34.15 O ATOM 329 CB LYS A 21 9.537 -3.043 3.050 1.00 32.41 C ATOM 330 CG LYS A 21 8.905 -3.212 4.432 1.00 43.22 C ATOM 331 CD LYS A 21 9.789 -4.037 5.367 1.00 73.24 C ATOM 332 CE LYS A 21 9.239 -4.058 6.789 1.00 15.22 C ATOM 333 NZ LYS A 21 9.236 -2.704 7.408 1.00 32.53 N ATOM 0 H LYS A 21 7.422 -3.915 2.072 1.00 52.14 H new ATOM 0 HA LYS A 21 8.338 -1.322 2.585 1.00 10.24 H new ATOM 0 HB2 LYS A 21 9.719 -4.028 2.620 1.00 32.41 H new ATOM 0 HB3 LYS A 21 10.507 -2.559 3.160 1.00 32.41 H new ATOM 0 HG2 LYS A 21 8.728 -2.231 4.872 1.00 43.22 H new ATOM 0 HG3 LYS A 21 7.934 -3.696 4.330 1.00 43.22 H new ATOM 0 HD2 LYS A 21 9.864 -5.057 4.991 1.00 73.24 H new ATOM 0 HD3 LYS A 21 10.798 -3.624 5.373 1.00 73.24 H new ATOM 0 HE2 LYS A 21 8.223 -4.454 6.779 1.00 15.22 H new ATOM 0 HE3 LYS A 21 9.838 -4.734 7.399 1.00 15.22 H new ATOM 0 HZ1 LYS A 21 9.118 -2.793 8.437 1.00 32.53 H new ATOM 0 HZ2 LYS A 21 10.137 -2.226 7.203 1.00 32.53 H new ATOM 0 HZ3 LYS A 21 8.451 -2.145 7.017 1.00 32.53 H new ATOM 347 N ILE A 22 9.599 -2.666 -0.150 1.00 2.40 N ATOM 348 CA ILE A 22 10.311 -2.338 -1.396 1.00 13.50 C ATOM 349 C ILE A 22 9.622 -1.182 -2.148 1.00 54.21 C ATOM 350 O ILE A 22 10.240 -0.154 -2.430 1.00 3.33 O ATOM 351 CB ILE A 22 10.410 -3.572 -2.332 1.00 14.01 C ATOM 352 CG1 ILE A 22 11.147 -4.722 -1.623 1.00 72.03 C ATOM 353 CG2 ILE A 22 11.113 -3.205 -3.642 1.00 21.24 C ATOM 354 CD1 ILE A 22 11.223 -6.003 -2.430 1.00 4.42 C ATOM 0 H ILE A 22 9.188 -3.599 -0.133 1.00 2.40 H new ATOM 0 HA ILE A 22 11.316 -2.027 -1.112 1.00 13.50 H new ATOM 0 HB ILE A 22 9.400 -3.904 -2.573 1.00 14.01 H new ATOM 0 HG12 ILE A 22 12.159 -4.396 -1.383 1.00 72.03 H new ATOM 0 HG13 ILE A 22 10.647 -4.931 -0.677 1.00 72.03 H new ATOM 0 HG21 ILE A 22 11.171 -4.085 -4.283 1.00 21.24 H new ATOM 0 HG22 ILE A 22 10.550 -2.423 -4.150 1.00 21.24 H new ATOM 0 HG23 ILE A 22 12.119 -2.846 -3.427 1.00 21.24 H new ATOM 0 HD11 ILE A 22 11.758 -6.762 -1.859 1.00 4.42 H new ATOM 0 HD12 ILE A 22 10.215 -6.356 -2.648 1.00 4.42 H new ATOM 0 HD13 ILE A 22 11.751 -5.814 -3.365 1.00 4.42 H new ATOM 366 N HIS A 23 8.333 -1.350 -2.455 1.00 62.23 N ATOM 367 CA HIS A 23 7.567 -0.331 -3.195 1.00 32.12 C ATOM 368 C HIS A 23 7.494 1.010 -2.443 1.00 74.24 C ATOM 369 O HIS A 23 7.560 2.079 -3.055 1.00 32.32 O ATOM 370 CB HIS A 23 6.148 -0.837 -3.496 1.00 51.03 C ATOM 371 CG HIS A 23 6.092 -1.858 -4.593 1.00 33.14 C ATOM 372 ND1 HIS A 23 5.728 -1.549 -5.886 1.00 42.34 N ATOM 373 CD2 HIS A 23 6.350 -3.188 -4.590 1.00 34.21 C ATOM 374 CE1 HIS A 23 5.765 -2.637 -6.624 1.00 70.14 C ATOM 375 NE2 HIS A 23 6.137 -3.644 -5.865 1.00 53.11 N ATOM 0 H HIS A 23 7.794 -2.179 -2.205 1.00 62.23 H new ATOM 0 HA HIS A 23 8.098 -0.155 -4.130 1.00 32.12 H new ATOM 0 HB2 HIS A 23 5.725 -1.268 -2.588 1.00 51.03 H new ATOM 0 HB3 HIS A 23 5.520 0.011 -3.768 1.00 51.03 H new ATOM 0 HD2 HIS A 23 6.665 -3.778 -3.742 1.00 34.21 H new ATOM 0 HE1 HIS A 23 5.529 -2.694 -7.676 1.00 70.14 H new ATOM 0 HE2 HIS A 23 6.249 -4.609 -6.175 1.00 53.11 H new ATOM 384 N SER A 24 7.373 0.948 -1.120 1.00 53.52 N ATOM 385 CA SER A 24 7.250 2.158 -0.287 1.00 42.44 C ATOM 386 C SER A 24 8.465 3.089 -0.434 1.00 62.13 C ATOM 387 O SER A 24 8.374 4.283 -0.156 1.00 61.01 O ATOM 388 CB SER A 24 7.078 1.783 1.190 1.00 34.21 C ATOM 389 OG SER A 24 8.262 1.201 1.717 1.00 54.22 O ATOM 0 H SER A 24 7.357 0.075 -0.593 1.00 53.52 H new ATOM 0 HA SER A 24 6.367 2.692 -0.638 1.00 42.44 H new ATOM 0 HB2 SER A 24 6.820 2.672 1.765 1.00 34.21 H new ATOM 0 HB3 SER A 24 6.249 1.084 1.295 1.00 34.21 H new ATOM 0 HG SER A 24 8.644 0.583 1.059 1.00 54.22 H new ATOM 395 N ARG A 25 9.596 2.539 -0.879 1.00 50.12 N ATOM 396 CA ARG A 25 10.826 3.326 -1.064 1.00 65.20 C ATOM 397 C ARG A 25 10.653 4.433 -2.123 1.00 15.13 C ATOM 398 O ARG A 25 11.399 5.413 -2.136 1.00 41.14 O ATOM 399 CB ARG A 25 11.994 2.408 -1.451 1.00 52.02 C ATOM 400 CG ARG A 25 12.348 1.372 -0.388 1.00 62.51 C ATOM 401 CD ARG A 25 13.556 0.530 -0.792 1.00 21.54 C ATOM 402 NE ARG A 25 14.754 1.348 -0.994 1.00 20.52 N ATOM 403 CZ ARG A 25 15.964 0.866 -1.119 1.00 14.32 C ATOM 404 NH1 ARG A 25 16.181 -0.409 -1.099 1.00 42.03 N ATOM 405 NH2 ARG A 25 16.965 1.669 -1.281 1.00 24.03 N ATOM 0 H ARG A 25 9.690 1.552 -1.119 1.00 50.12 H new ATOM 0 HA ARG A 25 11.045 3.811 -0.113 1.00 65.20 H new ATOM 0 HB2 ARG A 25 11.745 1.892 -2.378 1.00 52.02 H new ATOM 0 HB3 ARG A 25 12.873 3.021 -1.653 1.00 52.02 H new ATOM 0 HG2 ARG A 25 12.557 1.877 0.555 1.00 62.51 H new ATOM 0 HG3 ARG A 25 11.492 0.720 -0.218 1.00 62.51 H new ATOM 0 HD2 ARG A 25 13.752 -0.215 -0.021 1.00 21.54 H new ATOM 0 HD3 ARG A 25 13.329 -0.013 -1.710 1.00 21.54 H new ATOM 0 HE ARG A 25 14.637 2.360 -1.040 1.00 20.52 H new ATOM 0 HH11 ARG A 25 15.402 -1.057 -0.984 1.00 42.03 H new ATOM 0 HH12 ARG A 25 17.131 -0.766 -1.198 1.00 42.03 H new ATOM 0 HH21 ARG A 25 16.811 2.677 -1.311 1.00 24.03 H new ATOM 0 HH22 ARG A 25 17.909 1.294 -1.379 1.00 24.03 H new ATOM 419 N LYS A 26 9.671 4.274 -3.010 1.00 54.12 N ATOM 420 CA LYS A 26 9.388 5.281 -4.045 1.00 52.31 C ATOM 421 C LYS A 26 8.383 6.341 -3.558 1.00 55.14 C ATOM 422 O LYS A 26 8.142 7.336 -4.241 1.00 44.53 O ATOM 423 CB LYS A 26 8.833 4.609 -5.315 1.00 10.21 C ATOM 424 CG LYS A 26 9.837 3.736 -6.063 1.00 33.23 C ATOM 425 CD LYS A 26 11.065 4.530 -6.503 1.00 12.14 C ATOM 426 CE LYS A 26 11.921 3.754 -7.498 1.00 74.12 C ATOM 427 NZ LYS A 26 12.326 2.421 -6.980 1.00 13.51 N ATOM 0 H LYS A 26 9.056 3.461 -3.037 1.00 54.12 H new ATOM 0 HA LYS A 26 10.332 5.778 -4.269 1.00 52.31 H new ATOM 0 HB2 LYS A 26 7.973 3.997 -5.040 1.00 10.21 H new ATOM 0 HB3 LYS A 26 8.470 5.383 -5.991 1.00 10.21 H new ATOM 0 HG2 LYS A 26 10.149 2.911 -5.423 1.00 33.23 H new ATOM 0 HG3 LYS A 26 9.356 3.297 -6.937 1.00 33.23 H new ATOM 0 HD2 LYS A 26 10.746 5.470 -6.954 1.00 12.14 H new ATOM 0 HD3 LYS A 26 11.665 4.783 -5.629 1.00 12.14 H new ATOM 0 HE2 LYS A 26 11.366 3.626 -8.428 1.00 74.12 H new ATOM 0 HE3 LYS A 26 12.812 4.334 -7.736 1.00 74.12 H new ATOM 0 HZ1 LYS A 26 13.039 2.005 -7.613 1.00 13.51 H new ATOM 0 HZ2 LYS A 26 12.728 2.527 -6.027 1.00 13.51 H new ATOM 0 HZ3 LYS A 26 11.495 1.798 -6.938 1.00 13.51 H new ATOM 441 N MET A 27 7.796 6.128 -2.382 1.00 4.11 N ATOM 442 CA MET A 27 6.715 6.993 -1.886 1.00 74.33 C ATOM 443 C MET A 27 7.063 7.650 -0.538 1.00 12.41 C ATOM 444 O MET A 27 7.704 7.039 0.318 1.00 74.24 O ATOM 445 CB MET A 27 5.435 6.157 -1.752 1.00 61.02 C ATOM 446 CG MET A 27 4.999 5.506 -3.061 1.00 75.42 C ATOM 447 SD MET A 27 3.697 4.277 -2.838 1.00 25.52 S ATOM 448 CE MET A 27 2.446 5.252 -2.010 1.00 42.12 C ATOM 0 H MET A 27 8.047 5.366 -1.752 1.00 4.11 H new ATOM 0 HA MET A 27 6.570 7.802 -2.602 1.00 74.33 H new ATOM 0 HB2 MET A 27 5.593 5.381 -1.003 1.00 61.02 H new ATOM 0 HB3 MET A 27 4.630 6.794 -1.385 1.00 61.02 H new ATOM 0 HG2 MET A 27 4.648 6.279 -3.745 1.00 75.42 H new ATOM 0 HG3 MET A 27 5.862 5.032 -3.530 1.00 75.42 H new ATOM 0 HE1 MET A 27 1.537 4.660 -1.900 1.00 42.12 H new ATOM 0 HE2 MET A 27 2.808 5.548 -1.025 1.00 42.12 H new ATOM 0 HE3 MET A 27 2.230 6.143 -2.600 1.00 42.12 H new ATOM 458 N ASN A 28 6.638 8.905 -0.361 1.00 22.22 N ATOM 459 CA ASN A 28 6.819 9.614 0.915 1.00 21.32 C ATOM 460 C ASN A 28 5.924 9.015 2.008 1.00 11.41 C ATOM 461 O ASN A 28 4.724 9.274 2.046 1.00 44.24 O ATOM 462 CB ASN A 28 6.489 11.105 0.753 1.00 1.41 C ATOM 463 CG ASN A 28 7.413 11.812 -0.218 1.00 61.21 C ATOM 464 OD1 ASN A 28 8.593 11.489 -0.327 1.00 41.33 O ATOM 465 ND2 ASN A 28 6.884 12.776 -0.944 1.00 75.44 N ATOM 0 H ASN A 28 6.167 9.452 -1.082 1.00 22.22 H new ATOM 0 HA ASN A 28 7.862 9.502 1.210 1.00 21.32 H new ATOM 0 HB2 ASN A 28 5.460 11.209 0.408 1.00 1.41 H new ATOM 0 HB3 ASN A 28 6.550 11.593 1.726 1.00 1.41 H new ATOM 0 HD21 ASN A 28 7.458 13.278 -1.621 1.00 75.44 H new ATOM 0 HD22 ASN A 28 5.900 13.020 -0.829 1.00 75.44 H new ATOM 472 N LEU A 29 6.506 8.204 2.883 1.00 15.22 N ATOM 473 CA LEU A 29 5.748 7.570 3.968 1.00 64.54 C ATOM 474 C LEU A 29 5.514 8.532 5.146 1.00 4.43 C ATOM 475 O LEU A 29 6.337 9.405 5.430 1.00 34.20 O ATOM 476 CB LEU A 29 6.485 6.318 4.468 1.00 1.25 C ATOM 477 CG LEU A 29 6.708 5.219 3.417 1.00 71.02 C ATOM 478 CD1 LEU A 29 7.462 4.042 4.029 1.00 25.44 C ATOM 479 CD2 LEU A 29 5.377 4.759 2.820 1.00 53.03 C ATOM 0 H LEU A 29 7.498 7.967 2.867 1.00 15.22 H new ATOM 0 HA LEU A 29 4.775 7.291 3.563 1.00 64.54 H new ATOM 0 HB2 LEU A 29 7.455 6.622 4.863 1.00 1.25 H new ATOM 0 HB3 LEU A 29 5.922 5.893 5.299 1.00 1.25 H new ATOM 0 HG LEU A 29 7.313 5.633 2.611 1.00 71.02 H new ATOM 0 HD11 LEU A 29 7.612 3.272 3.272 1.00 25.44 H new ATOM 0 HD12 LEU A 29 8.430 4.382 4.397 1.00 25.44 H new ATOM 0 HD13 LEU A 29 6.884 3.630 4.856 1.00 25.44 H new ATOM 0 HD21 LEU A 29 5.560 3.981 2.079 1.00 53.03 H new ATOM 0 HD22 LEU A 29 4.741 4.363 3.612 1.00 53.03 H new ATOM 0 HD23 LEU A 29 4.880 5.604 2.344 1.00 53.03 H new ATOM 491 N THR A 30 4.377 8.372 5.823 1.00 45.31 N ATOM 492 CA THR A 30 4.105 9.123 7.055 1.00 15.03 C ATOM 493 C THR A 30 4.970 8.607 8.217 1.00 74.20 C ATOM 494 O THR A 30 5.652 7.588 8.095 1.00 54.12 O ATOM 495 CB THR A 30 2.613 9.050 7.466 1.00 32.30 C ATOM 496 OG1 THR A 30 2.384 9.865 8.626 1.00 62.31 O ATOM 497 CG2 THR A 30 2.191 7.612 7.760 1.00 71.41 C ATOM 0 H THR A 30 3.632 7.734 5.544 1.00 45.31 H new ATOM 0 HA THR A 30 4.355 10.163 6.844 1.00 15.03 H new ATOM 0 HB THR A 30 2.015 9.421 6.633 1.00 32.30 H new ATOM 0 HG1 THR A 30 1.439 9.815 8.879 1.00 62.31 H new ATOM 0 HG21 THR A 30 1.139 7.593 8.046 1.00 71.41 H new ATOM 0 HG22 THR A 30 2.336 7.001 6.869 1.00 71.41 H new ATOM 0 HG23 THR A 30 2.796 7.215 8.575 1.00 71.41 H new ATOM 505 N ARG A 31 4.925 9.301 9.346 1.00 15.53 N ATOM 506 CA ARG A 31 5.792 8.987 10.488 1.00 5.35 C ATOM 507 C ARG A 31 5.288 7.756 11.258 1.00 73.05 C ATOM 508 O ARG A 31 4.289 7.824 11.979 1.00 32.44 O ATOM 509 CB ARG A 31 5.901 10.207 11.421 1.00 15.11 C ATOM 510 CG ARG A 31 6.776 11.337 10.869 1.00 53.31 C ATOM 511 CD ARG A 31 6.303 11.822 9.499 1.00 13.14 C ATOM 512 NE ARG A 31 7.145 12.887 8.966 1.00 1.22 N ATOM 513 CZ ARG A 31 7.635 12.908 7.755 1.00 22.21 C ATOM 514 NH1 ARG A 31 7.413 11.930 6.928 1.00 54.10 N ATOM 515 NH2 ARG A 31 8.360 13.905 7.370 1.00 74.15 N ATOM 0 H ARG A 31 4.297 10.089 9.502 1.00 15.53 H new ATOM 0 HA ARG A 31 6.783 8.747 10.103 1.00 5.35 H new ATOM 0 HB2 ARG A 31 4.901 10.596 11.612 1.00 15.11 H new ATOM 0 HB3 ARG A 31 6.306 9.883 12.380 1.00 15.11 H new ATOM 0 HG2 ARG A 31 6.771 12.172 11.569 1.00 53.31 H new ATOM 0 HG3 ARG A 31 7.807 10.991 10.793 1.00 53.31 H new ATOM 0 HD2 ARG A 31 6.297 10.984 8.802 1.00 13.14 H new ATOM 0 HD3 ARG A 31 5.276 12.179 9.577 1.00 13.14 H new ATOM 0 HE ARG A 31 7.367 13.670 9.581 1.00 1.22 H new ATOM 0 HH11 ARG A 31 6.850 11.132 7.221 1.00 54.10 H new ATOM 0 HH12 ARG A 31 7.802 11.961 5.986 1.00 54.10 H new ATOM 0 HH21 ARG A 31 8.550 14.675 8.011 1.00 74.15 H new ATOM 0 HH22 ARG A 31 8.743 13.922 6.425 1.00 74.15 H new ATOM 529 N GLY A 32 5.988 6.632 11.100 1.00 62.10 N ATOM 530 CA GLY A 32 5.593 5.388 11.757 1.00 20.41 C ATOM 531 C GLY A 32 4.385 4.727 11.099 1.00 20.52 C ATOM 532 O GLY A 32 3.336 4.557 11.728 1.00 74.32 O ATOM 0 H GLY A 32 6.827 6.558 10.525 1.00 62.10 H new ATOM 0 HA2 GLY A 32 6.433 4.693 11.744 1.00 20.41 H new ATOM 0 HA3 GLY A 32 5.364 5.592 12.803 1.00 20.41 H new ATOM 536 N ILE A 33 4.532 4.351 9.832 1.00 72.53 N ATOM 537 CA ILE A 33 3.429 3.762 9.064 1.00 63.02 C ATOM 538 C ILE A 33 3.425 2.223 9.155 1.00 44.34 C ATOM 539 O ILE A 33 4.356 1.555 8.708 1.00 74.24 O ATOM 540 CB ILE A 33 3.487 4.209 7.576 1.00 1.04 C ATOM 541 CG1 ILE A 33 2.353 3.565 6.764 1.00 15.11 C ATOM 542 CG2 ILE A 33 4.848 3.890 6.958 1.00 24.32 C ATOM 543 CD1 ILE A 33 2.303 4.015 5.317 1.00 61.04 C ATOM 0 H ILE A 33 5.404 4.442 9.311 1.00 72.53 H new ATOM 0 HA ILE A 33 2.502 4.127 9.506 1.00 63.02 H new ATOM 0 HB ILE A 33 3.351 5.290 7.547 1.00 1.04 H new ATOM 0 HG12 ILE A 33 2.468 2.481 6.794 1.00 15.11 H new ATOM 0 HG13 ILE A 33 1.401 3.798 7.240 1.00 15.11 H new ATOM 0 HG21 ILE A 33 4.860 4.213 5.917 1.00 24.32 H new ATOM 0 HG22 ILE A 33 5.630 4.413 7.509 1.00 24.32 H new ATOM 0 HG23 ILE A 33 5.027 2.816 7.006 1.00 24.32 H new ATOM 0 HD11 ILE A 33 1.477 3.517 4.809 1.00 61.04 H new ATOM 0 HD12 ILE A 33 2.156 5.094 5.276 1.00 61.04 H new ATOM 0 HD13 ILE A 33 3.240 3.757 4.823 1.00 61.04 H new ATOM 555 N ASN A 34 2.372 1.667 9.753 1.00 70.13 N ATOM 556 CA ASN A 34 2.234 0.211 9.882 1.00 70.34 C ATOM 557 C ASN A 34 1.821 -0.424 8.542 1.00 22.31 C ATOM 558 O ASN A 34 0.643 -0.412 8.169 1.00 54.30 O ATOM 559 CB ASN A 34 1.205 -0.131 10.970 1.00 44.02 C ATOM 560 CG ASN A 34 1.142 -1.618 11.289 1.00 25.15 C ATOM 561 OD1 ASN A 34 1.474 -2.465 10.467 1.00 73.41 O ATOM 562 ND2 ASN A 34 0.686 -1.948 12.478 1.00 22.42 N ATOM 0 H ASN A 34 1.601 2.199 10.156 1.00 70.13 H new ATOM 0 HA ASN A 34 3.203 -0.198 10.169 1.00 70.34 H new ATOM 0 HB2 ASN A 34 1.450 0.419 11.879 1.00 44.02 H new ATOM 0 HB3 ASN A 34 0.220 0.207 10.649 1.00 44.02 H new ATOM 0 HD21 ASN A 34 0.601 -2.931 12.737 1.00 22.42 H new ATOM 0 HD22 ASN A 34 0.418 -1.221 13.141 1.00 22.42 H new ATOM 569 N LEU A 35 2.799 -0.968 7.823 1.00 42.40 N ATOM 570 CA LEU A 35 2.544 -1.616 6.531 1.00 31.11 C ATOM 571 C LEU A 35 1.979 -3.037 6.702 1.00 35.51 C ATOM 572 O LEU A 35 1.281 -3.545 5.825 1.00 34.51 O ATOM 573 CB LEU A 35 3.830 -1.666 5.693 1.00 33.23 C ATOM 574 CG LEU A 35 4.412 -0.300 5.290 1.00 14.43 C ATOM 575 CD1 LEU A 35 5.707 -0.477 4.497 1.00 1.05 C ATOM 576 CD2 LEU A 35 3.393 0.511 4.488 1.00 11.33 C ATOM 0 H LEU A 35 3.778 -0.975 8.110 1.00 42.40 H new ATOM 0 HA LEU A 35 1.795 -1.017 6.013 1.00 31.11 H new ATOM 0 HB2 LEU A 35 4.588 -2.213 6.254 1.00 33.23 H new ATOM 0 HB3 LEU A 35 3.630 -2.238 4.787 1.00 33.23 H new ATOM 0 HG LEU A 35 4.642 0.252 6.201 1.00 14.43 H new ATOM 0 HD11 LEU A 35 6.102 0.501 4.222 1.00 1.05 H new ATOM 0 HD12 LEU A 35 6.439 -1.005 5.108 1.00 1.05 H new ATOM 0 HD13 LEU A 35 5.505 -1.054 3.594 1.00 1.05 H new ATOM 0 HD21 LEU A 35 3.827 1.473 4.215 1.00 11.33 H new ATOM 0 HD22 LEU A 35 3.123 -0.035 3.584 1.00 11.33 H new ATOM 0 HD23 LEU A 35 2.501 0.675 5.093 1.00 11.33 H new ATOM 588 N ARG A 36 2.271 -3.672 7.836 1.00 11.31 N ATOM 589 CA ARG A 36 1.804 -5.039 8.090 1.00 70.15 C ATOM 590 C ARG A 36 0.274 -5.074 8.224 1.00 25.42 C ATOM 591 O ARG A 36 -0.384 -5.938 7.652 1.00 52.55 O ATOM 592 CB ARG A 36 2.468 -5.617 9.348 1.00 63.52 C ATOM 593 CG ARG A 36 2.218 -7.114 9.540 1.00 25.31 C ATOM 594 CD ARG A 36 2.971 -7.674 10.745 1.00 64.11 C ATOM 595 NE ARG A 36 2.801 -9.120 10.889 1.00 43.54 N ATOM 596 CZ ARG A 36 3.243 -9.809 11.905 1.00 61.22 C ATOM 597 NH1 ARG A 36 3.813 -9.220 12.905 1.00 11.42 N ATOM 598 NH2 ARG A 36 3.083 -11.088 11.925 1.00 23.24 N ATOM 0 H ARG A 36 2.825 -3.267 8.591 1.00 11.31 H new ATOM 0 HA ARG A 36 2.088 -5.657 7.239 1.00 70.15 H new ATOM 0 HB2 ARG A 36 3.542 -5.440 9.295 1.00 63.52 H new ATOM 0 HB3 ARG A 36 2.099 -5.081 10.222 1.00 63.52 H new ATOM 0 HG2 ARG A 36 1.150 -7.289 9.668 1.00 25.31 H new ATOM 0 HG3 ARG A 36 2.524 -7.650 8.641 1.00 25.31 H new ATOM 0 HD2 ARG A 36 4.032 -7.444 10.645 1.00 64.11 H new ATOM 0 HD3 ARG A 36 2.621 -7.178 11.651 1.00 64.11 H new ATOM 0 HE ARG A 36 2.307 -9.620 10.150 1.00 43.54 H new ATOM 0 HH11 ARG A 36 3.921 -8.206 12.905 1.00 11.42 H new ATOM 0 HH12 ARG A 36 4.154 -9.770 13.694 1.00 11.42 H new ATOM 0 HH21 ARG A 36 2.613 -11.555 11.150 1.00 23.24 H new ATOM 0 HH22 ARG A 36 3.426 -11.633 12.716 1.00 23.24 H new ATOM 612 N LYS A 37 -0.279 -4.113 8.967 1.00 44.52 N ATOM 613 CA LYS A 37 -1.734 -3.959 9.107 1.00 45.43 C ATOM 614 C LYS A 37 -2.409 -3.903 7.726 1.00 22.01 C ATOM 615 O LYS A 37 -3.505 -4.428 7.532 1.00 64.04 O ATOM 616 CB LYS A 37 -2.033 -2.684 9.922 1.00 30.11 C ATOM 617 CG LYS A 37 -3.497 -2.474 10.310 1.00 20.14 C ATOM 618 CD LYS A 37 -4.295 -1.728 9.234 1.00 12.34 C ATOM 619 CE LYS A 37 -5.624 -1.223 9.785 1.00 70.55 C ATOM 620 NZ LYS A 37 -6.446 -0.509 8.766 1.00 34.41 N ATOM 0 H LYS A 37 0.262 -3.422 9.487 1.00 44.52 H new ATOM 0 HA LYS A 37 -2.140 -4.821 9.636 1.00 45.43 H new ATOM 0 HB2 LYS A 37 -1.435 -2.708 10.833 1.00 30.11 H new ATOM 0 HB3 LYS A 37 -1.701 -1.820 9.346 1.00 30.11 H new ATOM 0 HG2 LYS A 37 -3.962 -3.442 10.495 1.00 20.14 H new ATOM 0 HG3 LYS A 37 -3.544 -1.914 11.244 1.00 20.14 H new ATOM 0 HD2 LYS A 37 -3.710 -0.887 8.861 1.00 12.34 H new ATOM 0 HD3 LYS A 37 -4.477 -2.390 8.388 1.00 12.34 H new ATOM 0 HE2 LYS A 37 -6.193 -2.067 10.176 1.00 70.55 H new ATOM 0 HE3 LYS A 37 -5.432 -0.553 10.623 1.00 70.55 H new ATOM 0 HZ1 LYS A 37 -7.451 -0.730 8.914 1.00 34.41 H new ATOM 0 HZ2 LYS A 37 -6.300 0.517 8.859 1.00 34.41 H new ATOM 0 HZ3 LYS A 37 -6.161 -0.815 7.814 1.00 34.41 H new ATOM 634 N ILE A 38 -1.728 -3.269 6.774 1.00 30.20 N ATOM 635 CA ILE A 38 -2.195 -3.198 5.387 1.00 45.10 C ATOM 636 C ILE A 38 -2.148 -4.584 4.724 1.00 63.43 C ATOM 637 O ILE A 38 -3.143 -5.060 4.178 1.00 2.31 O ATOM 638 CB ILE A 38 -1.330 -2.206 4.566 1.00 55.33 C ATOM 639 CG1 ILE A 38 -1.307 -0.826 5.245 1.00 71.04 C ATOM 640 CG2 ILE A 38 -1.838 -2.102 3.128 1.00 11.25 C ATOM 641 CD1 ILE A 38 -2.678 -0.215 5.438 1.00 24.31 C ATOM 0 H ILE A 38 -0.842 -2.792 6.938 1.00 30.20 H new ATOM 0 HA ILE A 38 -3.226 -2.845 5.403 1.00 45.10 H new ATOM 0 HB ILE A 38 -0.309 -2.586 4.531 1.00 55.33 H new ATOM 0 HG12 ILE A 38 -0.821 -0.918 6.216 1.00 71.04 H new ATOM 0 HG13 ILE A 38 -0.699 -0.148 4.647 1.00 71.04 H new ATOM 0 HG21 ILE A 38 -1.216 -1.401 2.572 1.00 11.25 H new ATOM 0 HG22 ILE A 38 -1.792 -3.082 2.654 1.00 11.25 H new ATOM 0 HG23 ILE A 38 -2.869 -1.749 3.131 1.00 11.25 H new ATOM 0 HD11 ILE A 38 -2.579 0.756 5.922 1.00 24.31 H new ATOM 0 HD12 ILE A 38 -3.160 -0.089 4.469 1.00 24.31 H new ATOM 0 HD13 ILE A 38 -3.284 -0.871 6.062 1.00 24.31 H new ATOM 653 N ALA A 39 -0.982 -5.228 4.796 1.00 61.42 N ATOM 654 CA ALA A 39 -0.793 -6.572 4.237 1.00 42.44 C ATOM 655 C ALA A 39 -1.811 -7.578 4.802 1.00 21.32 C ATOM 656 O ALA A 39 -2.324 -8.433 4.078 1.00 22.34 O ATOM 657 CB ALA A 39 0.630 -7.052 4.513 1.00 50.31 C ATOM 0 H ALA A 39 -0.149 -4.840 5.238 1.00 61.42 H new ATOM 0 HA ALA A 39 -0.957 -6.511 3.161 1.00 42.44 H new ATOM 0 HB1 ALA A 39 0.765 -8.050 4.096 1.00 50.31 H new ATOM 0 HB2 ALA A 39 1.341 -6.367 4.051 1.00 50.31 H new ATOM 0 HB3 ALA A 39 0.802 -7.082 5.589 1.00 50.31 H new ATOM 663 N GLU A 40 -2.103 -7.459 6.096 1.00 41.23 N ATOM 664 CA GLU A 40 -3.041 -8.359 6.779 1.00 34.00 C ATOM 665 C GLU A 40 -4.476 -8.223 6.235 1.00 3.35 C ATOM 666 O GLU A 40 -5.310 -9.114 6.426 1.00 3.23 O ATOM 667 CB GLU A 40 -3.021 -8.084 8.289 1.00 43.14 C ATOM 668 CG GLU A 40 -1.672 -8.352 8.955 1.00 24.33 C ATOM 669 CD GLU A 40 -1.694 -8.094 10.451 1.00 13.40 C ATOM 670 OE1 GLU A 40 -2.326 -8.887 11.182 1.00 42.31 O ATOM 671 OE2 GLU A 40 -1.078 -7.109 10.909 1.00 1.13 O ATOM 0 H GLU A 40 -1.701 -6.742 6.700 1.00 41.23 H new ATOM 0 HA GLU A 40 -2.716 -9.382 6.587 1.00 34.00 H new ATOM 0 HB2 GLU A 40 -3.299 -7.044 8.462 1.00 43.14 H new ATOM 0 HB3 GLU A 40 -3.780 -8.701 8.770 1.00 43.14 H new ATOM 0 HG2 GLU A 40 -1.381 -9.387 8.773 1.00 24.33 H new ATOM 0 HG3 GLU A 40 -0.912 -7.722 8.493 1.00 24.33 H new ATOM 678 N LEU A 41 -4.757 -7.112 5.556 1.00 11.42 N ATOM 679 CA LEU A 41 -6.069 -6.886 4.936 1.00 73.45 C ATOM 680 C LEU A 41 -6.157 -7.550 3.549 1.00 72.01 C ATOM 681 O LEU A 41 -7.187 -7.464 2.875 1.00 62.13 O ATOM 682 CB LEU A 41 -6.346 -5.378 4.813 1.00 71.51 C ATOM 683 CG LEU A 41 -6.364 -4.603 6.138 1.00 31.01 C ATOM 684 CD1 LEU A 41 -6.521 -3.108 5.883 1.00 53.35 C ATOM 685 CD2 LEU A 41 -7.475 -5.117 7.054 1.00 11.23 C ATOM 0 H LEU A 41 -4.093 -6.350 5.419 1.00 11.42 H new ATOM 0 HA LEU A 41 -6.823 -7.341 5.578 1.00 73.45 H new ATOM 0 HB2 LEU A 41 -5.588 -4.938 4.164 1.00 71.51 H new ATOM 0 HB3 LEU A 41 -7.308 -5.241 4.318 1.00 71.51 H new ATOM 0 HG LEU A 41 -5.411 -4.766 6.641 1.00 31.01 H new ATOM 0 HD11 LEU A 41 -6.532 -2.576 6.834 1.00 53.35 H new ATOM 0 HD12 LEU A 41 -5.687 -2.753 5.278 1.00 53.35 H new ATOM 0 HD13 LEU A 41 -7.457 -2.925 5.355 1.00 53.35 H new ATOM 0 HD21 LEU A 41 -7.468 -4.553 7.987 1.00 11.23 H new ATOM 0 HD22 LEU A 41 -8.439 -4.992 6.562 1.00 11.23 H new ATOM 0 HD23 LEU A 41 -7.311 -6.173 7.268 1.00 11.23 H new ATOM 697 N MET A 42 -5.073 -8.210 3.129 1.00 31.24 N ATOM 698 CA MET A 42 -5.029 -8.910 1.836 1.00 0.34 C ATOM 699 C MET A 42 -4.992 -10.441 2.033 1.00 62.20 C ATOM 700 O MET A 42 -3.923 -11.057 1.967 1.00 3.54 O ATOM 701 CB MET A 42 -3.796 -8.457 1.035 1.00 32.11 C ATOM 702 CG MET A 42 -3.712 -6.951 0.835 1.00 64.32 C ATOM 703 SD MET A 42 -2.222 -6.446 -0.049 1.00 54.12 S ATOM 704 CE MET A 42 -2.451 -7.272 -1.621 1.00 50.44 C ATOM 0 H MET A 42 -4.209 -8.276 3.667 1.00 31.24 H new ATOM 0 HA MET A 42 -5.934 -8.658 1.283 1.00 0.34 H new ATOM 0 HB2 MET A 42 -2.896 -8.797 1.548 1.00 32.11 H new ATOM 0 HB3 MET A 42 -3.809 -8.943 0.060 1.00 32.11 H new ATOM 0 HG2 MET A 42 -4.589 -6.613 0.283 1.00 64.32 H new ATOM 0 HG3 MET A 42 -3.737 -6.458 1.807 1.00 64.32 H new ATOM 0 HE1 MET A 42 -1.777 -8.126 -1.685 1.00 50.44 H new ATOM 0 HE2 MET A 42 -3.482 -7.616 -1.704 1.00 50.44 H new ATOM 0 HE3 MET A 42 -2.234 -6.577 -2.432 1.00 50.44 H new ATOM 714 N PRO A 43 -6.154 -11.080 2.279 1.00 23.21 N ATOM 715 CA PRO A 43 -6.218 -12.525 2.573 1.00 20.21 C ATOM 716 C PRO A 43 -5.826 -13.406 1.375 1.00 44.31 C ATOM 717 O PRO A 43 -6.617 -13.613 0.451 1.00 34.42 O ATOM 718 CB PRO A 43 -7.687 -12.747 2.958 1.00 42.54 C ATOM 719 CG PRO A 43 -8.428 -11.638 2.286 1.00 33.15 C ATOM 720 CD PRO A 43 -7.492 -10.457 2.290 1.00 63.14 C ATOM 0 HA PRO A 43 -5.511 -12.806 3.354 1.00 20.21 H new ATOM 0 HB2 PRO A 43 -8.042 -13.721 2.621 1.00 42.54 H new ATOM 0 HB3 PRO A 43 -7.822 -12.715 4.039 1.00 42.54 H new ATOM 0 HG2 PRO A 43 -8.706 -11.913 1.269 1.00 33.15 H new ATOM 0 HG3 PRO A 43 -9.351 -11.407 2.817 1.00 33.15 H new ATOM 0 HD2 PRO A 43 -7.646 -9.820 1.419 1.00 63.14 H new ATOM 0 HD3 PRO A 43 -7.637 -9.832 3.171 1.00 63.14 H new ATOM 728 N GLY A 44 -4.597 -13.919 1.400 1.00 12.20 N ATOM 729 CA GLY A 44 -4.111 -14.790 0.333 1.00 2.32 C ATOM 730 C GLY A 44 -4.044 -14.120 -1.039 1.00 21.44 C ATOM 731 O GLY A 44 -4.138 -14.793 -2.067 1.00 50.34 O ATOM 0 H GLY A 44 -3.922 -13.747 2.145 1.00 12.20 H new ATOM 0 HA2 GLY A 44 -3.117 -15.151 0.598 1.00 2.32 H new ATOM 0 HA3 GLY A 44 -4.760 -15.663 0.268 1.00 2.32 H new ATOM 735 N ALA A 45 -3.881 -12.799 -1.061 1.00 34.43 N ATOM 736 CA ALA A 45 -3.793 -12.050 -2.323 1.00 15.12 C ATOM 737 C ALA A 45 -2.450 -12.289 -3.034 1.00 12.23 C ATOM 738 O ALA A 45 -1.404 -12.396 -2.392 1.00 53.50 O ATOM 739 CB ALA A 45 -4.003 -10.562 -2.071 1.00 51.40 C ATOM 0 H ALA A 45 -3.807 -12.221 -0.224 1.00 34.43 H new ATOM 0 HA ALA A 45 -4.583 -12.415 -2.980 1.00 15.12 H new ATOM 0 HB1 ALA A 45 -3.935 -10.020 -3.014 1.00 51.40 H new ATOM 0 HB2 ALA A 45 -4.988 -10.403 -1.631 1.00 51.40 H new ATOM 0 HB3 ALA A 45 -3.237 -10.197 -1.387 1.00 51.40 H new ATOM 745 N SER A 46 -2.487 -12.364 -4.363 1.00 4.33 N ATOM 746 CA SER A 46 -1.286 -12.653 -5.166 1.00 23.33 C ATOM 747 C SER A 46 -0.219 -11.550 -5.047 1.00 2.45 C ATOM 748 O SER A 46 -0.536 -10.373 -4.840 1.00 73.31 O ATOM 749 CB SER A 46 -1.662 -12.835 -6.646 1.00 0.11 C ATOM 750 OG SER A 46 -2.652 -13.841 -6.815 1.00 62.40 O ATOM 0 H SER A 46 -3.335 -12.229 -4.914 1.00 4.33 H new ATOM 0 HA SER A 46 -0.860 -13.576 -4.771 1.00 23.33 H new ATOM 0 HB2 SER A 46 -2.030 -11.891 -7.047 1.00 0.11 H new ATOM 0 HB3 SER A 46 -0.773 -13.099 -7.218 1.00 0.11 H new ATOM 0 HG SER A 46 -2.869 -13.930 -7.767 1.00 62.40 H new ATOM 756 N GLY A 47 1.050 -11.940 -5.205 1.00 41.01 N ATOM 757 CA GLY A 47 2.148 -10.976 -5.170 1.00 75.11 C ATOM 758 C GLY A 47 1.951 -9.815 -6.145 1.00 2.24 C ATOM 759 O GLY A 47 2.269 -8.668 -5.834 1.00 10.14 O ATOM 0 H GLY A 47 1.338 -12.907 -5.357 1.00 41.01 H new ATOM 0 HA2 GLY A 47 2.247 -10.582 -4.159 1.00 75.11 H new ATOM 0 HA3 GLY A 47 3.081 -11.487 -5.405 1.00 75.11 H new ATOM 763 N ALA A 48 1.414 -10.120 -7.327 1.00 45.25 N ATOM 764 CA ALA A 48 1.095 -9.094 -8.328 1.00 64.10 C ATOM 765 C ALA A 48 0.085 -8.065 -7.787 1.00 0.41 C ATOM 766 O ALA A 48 0.179 -6.870 -8.080 1.00 74.11 O ATOM 767 CB ALA A 48 0.548 -9.755 -9.589 1.00 34.20 C ATOM 0 H ALA A 48 1.189 -11.071 -7.618 1.00 45.25 H new ATOM 0 HA ALA A 48 2.014 -8.559 -8.566 1.00 64.10 H new ATOM 0 HB1 ALA A 48 0.313 -8.989 -10.328 1.00 34.20 H new ATOM 0 HB2 ALA A 48 1.295 -10.436 -9.996 1.00 34.20 H new ATOM 0 HB3 ALA A 48 -0.356 -10.313 -9.345 1.00 34.20 H new ATOM 773 N GLU A 49 -0.869 -8.541 -6.988 1.00 74.11 N ATOM 774 CA GLU A 49 -1.912 -7.680 -6.411 1.00 42.32 C ATOM 775 C GLU A 49 -1.317 -6.681 -5.411 1.00 52.41 C ATOM 776 O GLU A 49 -1.794 -5.550 -5.286 1.00 23.01 O ATOM 777 CB GLU A 49 -2.985 -8.537 -5.723 1.00 63.12 C ATOM 778 CG GLU A 49 -3.578 -9.618 -6.620 1.00 41.41 C ATOM 779 CD GLU A 49 -4.260 -9.058 -7.860 1.00 40.21 C ATOM 780 OE1 GLU A 49 -5.467 -8.747 -7.791 1.00 35.34 O ATOM 781 OE2 GLU A 49 -3.595 -8.934 -8.914 1.00 24.20 O ATOM 0 H GLU A 49 -0.945 -9.523 -6.722 1.00 74.11 H new ATOM 0 HA GLU A 49 -2.370 -7.115 -7.223 1.00 42.32 H new ATOM 0 HB2 GLU A 49 -2.550 -9.008 -4.841 1.00 63.12 H new ATOM 0 HB3 GLU A 49 -3.787 -7.887 -5.374 1.00 63.12 H new ATOM 0 HG2 GLU A 49 -2.787 -10.302 -6.926 1.00 41.41 H new ATOM 0 HG3 GLU A 49 -4.300 -10.201 -6.048 1.00 41.41 H new ATOM 788 N VAL A 50 -0.275 -7.108 -4.698 1.00 4.21 N ATOM 789 CA VAL A 50 0.453 -6.221 -3.777 1.00 44.54 C ATOM 790 C VAL A 50 0.949 -4.952 -4.504 1.00 14.32 C ATOM 791 O VAL A 50 0.999 -3.861 -3.929 1.00 33.20 O ATOM 792 CB VAL A 50 1.658 -6.954 -3.129 1.00 44.44 C ATOM 793 CG1 VAL A 50 2.368 -6.057 -2.117 1.00 4.14 C ATOM 794 CG2 VAL A 50 1.207 -8.261 -2.471 1.00 63.04 C ATOM 0 H VAL A 50 0.087 -8.061 -4.737 1.00 4.21 H new ATOM 0 HA VAL A 50 -0.244 -5.928 -2.992 1.00 44.54 H new ATOM 0 HB VAL A 50 2.368 -7.195 -3.920 1.00 44.44 H new ATOM 0 HG11 VAL A 50 3.208 -6.596 -1.679 1.00 4.14 H new ATOM 0 HG12 VAL A 50 2.734 -5.161 -2.619 1.00 4.14 H new ATOM 0 HG13 VAL A 50 1.669 -5.772 -1.330 1.00 4.14 H new ATOM 0 HG21 VAL A 50 2.067 -8.759 -2.023 1.00 63.04 H new ATOM 0 HG22 VAL A 50 0.470 -8.044 -1.698 1.00 63.04 H new ATOM 0 HG23 VAL A 50 0.762 -8.912 -3.223 1.00 63.04 H new ATOM 804 N LYS A 51 1.304 -5.111 -5.781 1.00 64.42 N ATOM 805 CA LYS A 51 1.683 -3.982 -6.641 1.00 24.20 C ATOM 806 C LYS A 51 0.518 -2.986 -6.790 1.00 31.31 C ATOM 807 O LYS A 51 0.719 -1.770 -6.830 1.00 2.31 O ATOM 808 CB LYS A 51 2.101 -4.504 -8.025 1.00 51.34 C ATOM 809 CG LYS A 51 2.508 -3.411 -9.011 1.00 60.13 C ATOM 810 CD LYS A 51 2.791 -3.968 -10.408 1.00 4.15 C ATOM 811 CE LYS A 51 1.515 -4.349 -11.166 1.00 72.42 C ATOM 812 NZ LYS A 51 0.780 -5.496 -10.550 1.00 55.13 N ATOM 0 H LYS A 51 1.338 -6.017 -6.247 1.00 64.42 H new ATOM 0 HA LYS A 51 2.521 -3.462 -6.177 1.00 24.20 H new ATOM 0 HB2 LYS A 51 2.934 -5.196 -7.903 1.00 51.34 H new ATOM 0 HB3 LYS A 51 1.274 -5.072 -8.451 1.00 51.34 H new ATOM 0 HG2 LYS A 51 1.715 -2.666 -9.073 1.00 60.13 H new ATOM 0 HG3 LYS A 51 3.396 -2.901 -8.639 1.00 60.13 H new ATOM 0 HD2 LYS A 51 3.343 -3.226 -10.985 1.00 4.15 H new ATOM 0 HD3 LYS A 51 3.432 -4.845 -10.321 1.00 4.15 H new ATOM 0 HE2 LYS A 51 0.854 -3.484 -11.208 1.00 72.42 H new ATOM 0 HE3 LYS A 51 1.774 -4.603 -12.194 1.00 72.42 H new ATOM 0 HZ1 LYS A 51 0.361 -6.082 -11.300 1.00 55.13 H new ATOM 0 HZ2 LYS A 51 1.441 -6.071 -9.989 1.00 55.13 H new ATOM 0 HZ3 LYS A 51 0.026 -5.134 -9.932 1.00 55.13 H new ATOM 826 N GLY A 52 -0.701 -3.518 -6.873 1.00 22.13 N ATOM 827 CA GLY A 52 -1.887 -2.679 -7.001 1.00 62.21 C ATOM 828 C GLY A 52 -2.116 -1.776 -5.791 1.00 61.33 C ATOM 829 O GLY A 52 -2.524 -0.623 -5.934 1.00 70.10 O ATOM 0 H GLY A 52 -0.890 -4.520 -6.854 1.00 22.13 H new ATOM 0 HA2 GLY A 52 -1.793 -2.062 -7.895 1.00 62.21 H new ATOM 0 HA3 GLY A 52 -2.761 -3.315 -7.143 1.00 62.21 H new ATOM 833 N VAL A 53 -1.848 -2.303 -4.598 1.00 40.03 N ATOM 834 CA VAL A 53 -2.020 -1.543 -3.350 1.00 55.03 C ATOM 835 C VAL A 53 -1.135 -0.286 -3.323 1.00 20.22 C ATOM 836 O VAL A 53 -1.623 0.829 -3.123 1.00 73.44 O ATOM 837 CB VAL A 53 -1.702 -2.417 -2.110 1.00 71.53 C ATOM 838 CG1 VAL A 53 -1.864 -1.619 -0.815 1.00 54.00 C ATOM 839 CG2 VAL A 53 -2.580 -3.668 -2.095 1.00 21.24 C ATOM 0 H VAL A 53 -1.510 -3.256 -4.463 1.00 40.03 H new ATOM 0 HA VAL A 53 -3.066 -1.237 -3.314 1.00 55.03 H new ATOM 0 HB VAL A 53 -0.660 -2.731 -2.176 1.00 71.53 H new ATOM 0 HG11 VAL A 53 -1.634 -2.258 0.037 1.00 54.00 H new ATOM 0 HG12 VAL A 53 -1.183 -0.768 -0.824 1.00 54.00 H new ATOM 0 HG13 VAL A 53 -2.890 -1.261 -0.734 1.00 54.00 H new ATOM 0 HG21 VAL A 53 -2.342 -4.269 -1.217 1.00 21.24 H new ATOM 0 HG22 VAL A 53 -3.629 -3.376 -2.061 1.00 21.24 H new ATOM 0 HG23 VAL A 53 -2.395 -4.253 -2.996 1.00 21.24 H new ATOM 849 N CYS A 54 0.164 -0.470 -3.539 1.00 13.24 N ATOM 850 CA CYS A 54 1.115 0.649 -3.528 1.00 31.14 C ATOM 851 C CYS A 54 0.817 1.654 -4.652 1.00 52.22 C ATOM 852 O CYS A 54 1.012 2.861 -4.490 1.00 21.20 O ATOM 853 CB CYS A 54 2.554 0.137 -3.650 1.00 54.44 C ATOM 854 SG CYS A 54 2.883 -0.834 -5.141 1.00 3.32 S ATOM 0 H CYS A 54 0.587 -1.380 -3.724 1.00 13.24 H new ATOM 0 HA CYS A 54 1.001 1.164 -2.574 1.00 31.14 H new ATOM 0 HB2 CYS A 54 3.232 0.990 -3.631 1.00 54.44 H new ATOM 0 HB3 CYS A 54 2.784 -0.473 -2.777 1.00 54.44 H new ATOM 0 HG CYS A 54 4.132 -0.703 -5.478 1.00 3.32 H new ATOM 860 N THR A 55 0.347 1.150 -5.790 1.00 24.33 N ATOM 861 CA THR A 55 -0.009 2.007 -6.933 1.00 60.12 C ATOM 862 C THR A 55 -1.248 2.868 -6.630 1.00 60.54 C ATOM 863 O THR A 55 -1.220 4.091 -6.800 1.00 32.42 O ATOM 864 CB THR A 55 -0.266 1.171 -8.214 1.00 35.01 C ATOM 865 OG1 THR A 55 0.912 0.426 -8.556 1.00 21.41 O ATOM 866 CG2 THR A 55 -0.661 2.060 -9.391 1.00 22.42 C ATOM 0 H THR A 55 0.201 0.153 -5.952 1.00 24.33 H new ATOM 0 HA THR A 55 0.844 2.664 -7.105 1.00 60.12 H new ATOM 0 HB THR A 55 -1.091 0.489 -8.006 1.00 35.01 H new ATOM 0 HG1 THR A 55 0.950 -0.391 -8.017 1.00 21.41 H new ATOM 0 HG21 THR A 55 -0.834 1.442 -10.272 1.00 22.42 H new ATOM 0 HG22 THR A 55 -1.573 2.605 -9.146 1.00 22.42 H new ATOM 0 HG23 THR A 55 0.141 2.769 -9.597 1.00 22.42 H new ATOM 874 N GLU A 56 -2.328 2.228 -6.177 1.00 20.43 N ATOM 875 CA GLU A 56 -3.564 2.942 -5.816 1.00 75.05 C ATOM 876 C GLU A 56 -3.326 3.972 -4.701 1.00 62.31 C ATOM 877 O GLU A 56 -3.788 5.113 -4.792 1.00 64.45 O ATOM 878 CB GLU A 56 -4.646 1.944 -5.376 1.00 54.12 C ATOM 879 CG GLU A 56 -5.315 1.192 -6.522 1.00 33.55 C ATOM 880 CD GLU A 56 -6.201 2.094 -7.369 1.00 43.34 C ATOM 881 OE1 GLU A 56 -7.287 2.486 -6.889 1.00 52.42 O ATOM 882 OE2 GLU A 56 -5.827 2.405 -8.523 1.00 42.13 O ATOM 0 H GLU A 56 -2.376 1.217 -6.050 1.00 20.43 H new ATOM 0 HA GLU A 56 -3.900 3.479 -6.703 1.00 75.05 H new ATOM 0 HB2 GLU A 56 -4.199 1.220 -4.695 1.00 54.12 H new ATOM 0 HB3 GLU A 56 -5.411 2.481 -4.814 1.00 54.12 H new ATOM 0 HG2 GLU A 56 -4.549 0.742 -7.154 1.00 33.55 H new ATOM 0 HG3 GLU A 56 -5.913 0.376 -6.117 1.00 33.55 H new ATOM 889 N ALA A 57 -2.604 3.559 -3.657 1.00 22.40 N ATOM 890 CA ALA A 57 -2.277 4.447 -2.530 1.00 15.33 C ATOM 891 C ALA A 57 -1.663 5.769 -3.013 1.00 64.21 C ATOM 892 O ALA A 57 -2.044 6.848 -2.559 1.00 64.22 O ATOM 893 CB ALA A 57 -1.327 3.741 -1.568 1.00 24.50 C ATOM 0 H ALA A 57 -2.232 2.614 -3.565 1.00 22.40 H new ATOM 0 HA ALA A 57 -3.204 4.685 -2.009 1.00 15.33 H new ATOM 0 HB1 ALA A 57 -1.090 4.406 -0.737 1.00 24.50 H new ATOM 0 HB2 ALA A 57 -1.801 2.837 -1.186 1.00 24.50 H new ATOM 0 HB3 ALA A 57 -0.409 3.475 -2.093 1.00 24.50 H new ATOM 899 N GLY A 58 -0.714 5.674 -3.942 1.00 53.15 N ATOM 900 CA GLY A 58 -0.106 6.867 -4.521 1.00 21.11 C ATOM 901 C GLY A 58 -1.103 7.741 -5.278 1.00 55.43 C ATOM 902 O GLY A 58 -1.017 8.968 -5.246 1.00 22.13 O ATOM 0 H GLY A 58 -0.353 4.792 -4.306 1.00 53.15 H new ATOM 0 HA2 GLY A 58 0.353 7.455 -3.727 1.00 21.11 H new ATOM 0 HA3 GLY A 58 0.693 6.567 -5.199 1.00 21.11 H new ATOM 906 N MET A 59 -2.063 7.109 -5.953 1.00 40.30 N ATOM 907 CA MET A 59 -3.064 7.840 -6.735 1.00 45.33 C ATOM 908 C MET A 59 -4.023 8.630 -5.839 1.00 63.12 C ATOM 909 O MET A 59 -4.422 9.747 -6.182 1.00 64.41 O ATOM 910 CB MET A 59 -3.857 6.885 -7.631 1.00 1.54 C ATOM 911 CG MET A 59 -3.001 6.150 -8.653 1.00 4.22 C ATOM 912 SD MET A 59 -3.961 5.632 -10.087 1.00 41.12 S ATOM 913 CE MET A 59 -4.505 7.234 -10.681 1.00 43.33 C ATOM 0 H MET A 59 -2.170 6.095 -5.975 1.00 40.30 H new ATOM 0 HA MET A 59 -2.524 8.551 -7.360 1.00 45.33 H new ATOM 0 HB2 MET A 59 -4.367 6.153 -7.005 1.00 1.54 H new ATOM 0 HB3 MET A 59 -4.628 7.449 -8.155 1.00 1.54 H new ATOM 0 HG2 MET A 59 -2.186 6.798 -8.977 1.00 4.22 H new ATOM 0 HG3 MET A 59 -2.547 5.276 -8.185 1.00 4.22 H new ATOM 0 HE1 MET A 59 -4.409 7.271 -11.766 1.00 43.33 H new ATOM 0 HE2 MET A 59 -5.547 7.390 -10.403 1.00 43.33 H new ATOM 0 HE3 MET A 59 -3.889 8.015 -10.235 1.00 43.33 H new ATOM 923 N TYR A 60 -4.399 8.051 -4.701 1.00 61.44 N ATOM 924 CA TYR A 60 -5.242 8.758 -3.730 1.00 34.23 C ATOM 925 C TYR A 60 -4.532 10.027 -3.247 1.00 35.24 C ATOM 926 O TYR A 60 -5.134 11.101 -3.158 1.00 13.23 O ATOM 927 CB TYR A 60 -5.586 7.851 -2.539 1.00 45.41 C ATOM 928 CG TYR A 60 -6.240 6.541 -2.938 1.00 72.33 C ATOM 929 CD1 TYR A 60 -7.169 6.488 -3.972 1.00 43.00 C ATOM 930 CD2 TYR A 60 -5.913 5.351 -2.293 1.00 55.13 C ATOM 931 CE1 TYR A 60 -7.756 5.296 -4.345 1.00 74.30 C ATOM 932 CE2 TYR A 60 -6.495 4.157 -2.665 1.00 2.32 C ATOM 933 CZ TYR A 60 -7.413 4.135 -3.690 1.00 52.21 C ATOM 934 OH TYR A 60 -7.991 2.942 -4.061 1.00 55.44 O ATOM 0 H TYR A 60 -4.138 7.104 -4.427 1.00 61.44 H new ATOM 0 HA TYR A 60 -6.174 9.038 -4.221 1.00 34.23 H new ATOM 0 HB2 TYR A 60 -4.674 7.637 -1.982 1.00 45.41 H new ATOM 0 HB3 TYR A 60 -6.252 8.389 -1.865 1.00 45.41 H new ATOM 0 HD1 TYR A 60 -7.436 7.396 -4.492 1.00 43.00 H new ATOM 0 HD2 TYR A 60 -5.192 5.363 -1.489 1.00 55.13 H new ATOM 0 HE1 TYR A 60 -8.480 5.274 -5.146 1.00 74.30 H new ATOM 0 HE2 TYR A 60 -6.231 3.243 -2.154 1.00 2.32 H new ATOM 0 HH TYR A 60 -7.767 2.746 -4.995 1.00 55.44 H new ATOM 944 N ALA A 61 -3.240 9.892 -2.964 1.00 40.32 N ATOM 945 CA ALA A 61 -2.400 11.035 -2.620 1.00 54.51 C ATOM 946 C ALA A 61 -2.409 12.098 -3.733 1.00 54.14 C ATOM 947 O ALA A 61 -2.531 13.294 -3.458 1.00 14.41 O ATOM 948 CB ALA A 61 -0.976 10.573 -2.333 1.00 70.03 C ATOM 0 H ALA A 61 -2.750 8.998 -2.966 1.00 40.32 H new ATOM 0 HA ALA A 61 -2.811 11.496 -1.722 1.00 54.51 H new ATOM 0 HB1 ALA A 61 -0.359 11.434 -2.078 1.00 70.03 H new ATOM 0 HB2 ALA A 61 -0.982 9.871 -1.499 1.00 70.03 H new ATOM 0 HB3 ALA A 61 -0.567 10.083 -3.217 1.00 70.03 H new ATOM 954 N LEU A 62 -2.307 11.655 -4.993 1.00 54.50 N ATOM 955 CA LEU A 62 -2.287 12.579 -6.137 1.00 52.42 C ATOM 956 C LEU A 62 -3.574 13.419 -6.215 1.00 72.51 C ATOM 957 O LEU A 62 -3.522 14.652 -6.211 1.00 63.02 O ATOM 958 CB LEU A 62 -2.088 11.807 -7.452 1.00 21.12 C ATOM 959 CG LEU A 62 -0.738 11.083 -7.592 1.00 3.33 C ATOM 960 CD1 LEU A 62 -0.667 10.316 -8.911 1.00 52.14 C ATOM 961 CD2 LEU A 62 0.419 12.073 -7.487 1.00 62.54 C ATOM 0 H LEU A 62 -2.237 10.669 -5.246 1.00 54.50 H new ATOM 0 HA LEU A 62 -1.448 13.259 -5.988 1.00 52.42 H new ATOM 0 HB2 LEU A 62 -2.887 11.072 -7.547 1.00 21.12 H new ATOM 0 HB3 LEU A 62 -2.196 12.504 -8.283 1.00 21.12 H new ATOM 0 HG LEU A 62 -0.653 10.367 -6.775 1.00 3.33 H new ATOM 0 HD11 LEU A 62 0.297 9.812 -8.988 1.00 52.14 H new ATOM 0 HD12 LEU A 62 -1.467 9.576 -8.945 1.00 52.14 H new ATOM 0 HD13 LEU A 62 -0.780 11.011 -9.743 1.00 52.14 H new ATOM 0 HD21 LEU A 62 1.364 11.540 -7.589 1.00 62.54 H new ATOM 0 HD22 LEU A 62 0.335 12.817 -8.280 1.00 62.54 H new ATOM 0 HD23 LEU A 62 0.385 12.570 -6.518 1.00 62.54 H new ATOM 973 N ARG A 63 -4.729 12.750 -6.271 1.00 25.04 N ATOM 974 CA ARG A 63 -6.022 13.442 -6.367 1.00 31.04 C ATOM 975 C ARG A 63 -6.295 14.325 -5.134 1.00 43.04 C ATOM 976 O ARG A 63 -6.789 15.448 -5.262 1.00 2.12 O ATOM 977 CB ARG A 63 -7.173 12.437 -6.557 1.00 40.23 C ATOM 978 CG ARG A 63 -7.231 11.340 -5.496 1.00 63.23 C ATOM 979 CD ARG A 63 -8.554 10.583 -5.529 1.00 32.13 C ATOM 980 NE ARG A 63 -9.666 11.408 -5.058 1.00 2.44 N ATOM 981 CZ ARG A 63 -10.894 10.982 -4.925 1.00 64.23 C ATOM 982 NH1 ARG A 63 -11.230 9.795 -5.320 1.00 2.04 N ATOM 983 NH2 ARG A 63 -11.796 11.754 -4.414 1.00 61.12 N ATOM 0 H ARG A 63 -4.798 11.732 -6.252 1.00 25.04 H new ATOM 0 HA ARG A 63 -5.969 14.091 -7.241 1.00 31.04 H new ATOM 0 HB2 ARG A 63 -8.118 12.980 -6.553 1.00 40.23 H new ATOM 0 HB3 ARG A 63 -7.076 11.972 -7.538 1.00 40.23 H new ATOM 0 HG2 ARG A 63 -6.409 10.641 -5.652 1.00 63.23 H new ATOM 0 HG3 ARG A 63 -7.091 11.782 -4.510 1.00 63.23 H new ATOM 0 HD2 ARG A 63 -8.756 10.249 -6.547 1.00 32.13 H new ATOM 0 HD3 ARG A 63 -8.477 9.690 -4.909 1.00 32.13 H new ATOM 0 HE ARG A 63 -9.470 12.380 -4.818 1.00 2.44 H new ATOM 0 HH11 ARG A 63 -10.532 9.181 -5.740 1.00 2.04 H new ATOM 0 HH12 ARG A 63 -12.192 9.474 -5.210 1.00 2.04 H new ATOM 0 HH21 ARG A 63 -11.550 12.697 -4.114 1.00 61.12 H new ATOM 0 HH22 ARG A 63 -12.754 11.420 -4.311 1.00 61.12 H new ATOM 997 N GLU A 64 -5.968 13.820 -3.944 1.00 32.14 N ATOM 998 CA GLU A 64 -6.222 14.554 -2.698 1.00 73.40 C ATOM 999 C GLU A 64 -5.029 15.443 -2.291 1.00 71.12 C ATOM 1000 O GLU A 64 -4.936 15.889 -1.142 1.00 43.14 O ATOM 1001 CB GLU A 64 -6.587 13.575 -1.572 1.00 33.45 C ATOM 1002 CG GLU A 64 -7.845 12.758 -1.864 1.00 24.01 C ATOM 1003 CD GLU A 64 -8.374 12.011 -0.645 1.00 51.42 C ATOM 1004 OE1 GLU A 64 -9.189 12.595 0.109 1.00 53.11 O ATOM 1005 OE2 GLU A 64 -7.997 10.840 -0.440 1.00 2.52 O ATOM 0 H GLU A 64 -5.528 12.909 -3.814 1.00 32.14 H new ATOM 0 HA GLU A 64 -7.065 15.221 -2.874 1.00 73.40 H new ATOM 0 HB2 GLU A 64 -5.751 12.895 -1.406 1.00 33.45 H new ATOM 0 HB3 GLU A 64 -6.732 14.134 -0.647 1.00 33.45 H new ATOM 0 HG2 GLU A 64 -8.623 13.423 -2.240 1.00 24.01 H new ATOM 0 HG3 GLU A 64 -7.629 12.041 -2.656 1.00 24.01 H new ATOM 1012 N ARG A 65 -4.121 15.689 -3.243 1.00 74.14 N ATOM 1013 CA ARG A 65 -3.032 16.675 -3.085 1.00 5.11 C ATOM 1014 C ARG A 65 -2.057 16.321 -1.944 1.00 73.53 C ATOM 1015 O ARG A 65 -1.282 17.171 -1.496 1.00 11.54 O ATOM 1016 CB ARG A 65 -3.624 18.080 -2.852 1.00 63.20 C ATOM 1017 CG ARG A 65 -4.713 18.462 -3.851 1.00 21.33 C ATOM 1018 CD ARG A 65 -4.207 18.467 -5.291 1.00 21.05 C ATOM 1019 NE ARG A 65 -5.307 18.587 -6.246 1.00 2.52 N ATOM 1020 CZ ARG A 65 -5.174 18.978 -7.484 1.00 20.33 C ATOM 1021 NH1 ARG A 65 -4.029 19.378 -7.940 1.00 71.20 N ATOM 1022 NH2 ARG A 65 -6.204 18.993 -8.262 1.00 0.54 N ATOM 0 H ARG A 65 -4.116 15.214 -4.145 1.00 74.14 H new ATOM 0 HA ARG A 65 -2.456 16.658 -4.010 1.00 5.11 H new ATOM 0 HB2 ARG A 65 -4.035 18.128 -1.844 1.00 63.20 H new ATOM 0 HB3 ARG A 65 -2.821 18.816 -2.904 1.00 63.20 H new ATOM 0 HG2 ARG A 65 -5.544 17.762 -3.763 1.00 21.33 H new ATOM 0 HG3 ARG A 65 -5.100 19.450 -3.602 1.00 21.33 H new ATOM 0 HD2 ARG A 65 -3.511 19.294 -5.430 1.00 21.05 H new ATOM 0 HD3 ARG A 65 -3.653 17.549 -5.486 1.00 21.05 H new ATOM 0 HE ARG A 65 -6.244 18.348 -5.922 1.00 2.52 H new ATOM 0 HH11 ARG A 65 -3.213 19.391 -7.328 1.00 71.20 H new ATOM 0 HH12 ARG A 65 -3.944 19.680 -8.911 1.00 71.20 H new ATOM 0 HH21 ARG A 65 -7.115 18.700 -7.908 1.00 0.54 H new ATOM 0 HH22 ARG A 65 -6.107 19.297 -9.231 1.00 0.54 H new ATOM 1036 N ARG A 66 -2.079 15.070 -1.497 1.00 63.30 N ATOM 1037 CA ARG A 66 -1.242 14.622 -0.376 1.00 43.01 C ATOM 1038 C ARG A 66 0.226 14.443 -0.795 1.00 22.43 C ATOM 1039 O ARG A 66 0.542 13.622 -1.655 1.00 74.35 O ATOM 1040 CB ARG A 66 -1.787 13.302 0.189 1.00 4.02 C ATOM 1041 CG ARG A 66 -3.216 13.404 0.714 1.00 62.11 C ATOM 1042 CD ARG A 66 -3.756 12.052 1.165 1.00 53.40 C ATOM 1043 NE ARG A 66 -5.090 12.169 1.753 1.00 51.33 N ATOM 1044 CZ ARG A 66 -5.744 11.177 2.296 1.00 3.54 C ATOM 1045 NH1 ARG A 66 -5.271 9.974 2.273 1.00 24.22 N ATOM 1046 NH2 ARG A 66 -6.894 11.393 2.845 1.00 41.14 N ATOM 0 H ARG A 66 -2.670 14.339 -1.893 1.00 63.30 H new ATOM 0 HA ARG A 66 -1.277 15.394 0.393 1.00 43.01 H new ATOM 0 HB2 ARG A 66 -1.749 12.540 -0.590 1.00 4.02 H new ATOM 0 HB3 ARG A 66 -1.136 12.966 0.996 1.00 4.02 H new ATOM 0 HG2 ARG A 66 -3.246 14.104 1.549 1.00 62.11 H new ATOM 0 HG3 ARG A 66 -3.861 13.810 -0.065 1.00 62.11 H new ATOM 0 HD2 ARG A 66 -3.792 11.373 0.313 1.00 53.40 H new ATOM 0 HD3 ARG A 66 -3.075 11.613 1.894 1.00 53.40 H new ATOM 0 HE ARG A 66 -5.539 13.085 1.738 1.00 51.33 H new ATOM 0 HH11 ARG A 66 -4.373 9.787 1.826 1.00 24.22 H new ATOM 0 HH12 ARG A 66 -5.795 9.212 2.702 1.00 24.22 H new ATOM 0 HH21 ARG A 66 -7.287 12.334 2.853 1.00 41.14 H new ATOM 0 HH22 ARG A 66 -7.409 10.622 3.270 1.00 41.14 H new ATOM 1060 N VAL A 67 1.118 15.215 -0.174 1.00 31.33 N ATOM 1061 CA VAL A 67 2.559 15.108 -0.440 1.00 61.42 C ATOM 1062 C VAL A 67 3.156 13.872 0.258 1.00 61.20 C ATOM 1063 O VAL A 67 4.087 13.241 -0.250 1.00 4.41 O ATOM 1064 CB VAL A 67 3.312 16.381 0.033 1.00 33.51 C ATOM 1065 CG1 VAL A 67 4.790 16.322 -0.355 1.00 30.22 C ATOM 1066 CG2 VAL A 67 2.650 17.638 -0.531 1.00 40.33 C ATOM 0 H VAL A 67 0.871 15.923 0.518 1.00 31.33 H new ATOM 0 HA VAL A 67 2.683 15.005 -1.518 1.00 61.42 H new ATOM 0 HB VAL A 67 3.255 16.423 1.121 1.00 33.51 H new ATOM 0 HG11 VAL A 67 5.293 17.226 -0.011 1.00 30.22 H new ATOM 0 HG12 VAL A 67 5.253 15.451 0.108 1.00 30.22 H new ATOM 0 HG13 VAL A 67 4.879 16.247 -1.439 1.00 30.22 H new ATOM 0 HG21 VAL A 67 3.192 18.520 -0.188 1.00 40.33 H new ATOM 0 HG22 VAL A 67 2.668 17.601 -1.620 1.00 40.33 H new ATOM 0 HG23 VAL A 67 1.617 17.691 -0.187 1.00 40.33 H new ATOM 1076 N HIS A 68 2.613 13.534 1.429 1.00 13.52 N ATOM 1077 CA HIS A 68 3.040 12.339 2.169 1.00 42.51 C ATOM 1078 C HIS A 68 1.901 11.312 2.275 1.00 52.13 C ATOM 1079 O HIS A 68 0.796 11.632 2.716 1.00 31.31 O ATOM 1080 CB HIS A 68 3.566 12.718 3.564 1.00 40.12 C ATOM 1081 CG HIS A 68 2.581 13.460 4.425 1.00 13.41 C ATOM 1082 ND1 HIS A 68 2.592 14.832 4.576 1.00 23.42 N ATOM 1083 CD2 HIS A 68 1.558 13.014 5.197 1.00 2.23 C ATOM 1084 CE1 HIS A 68 1.631 15.192 5.405 1.00 53.31 C ATOM 1085 NE2 HIS A 68 0.989 14.111 5.790 1.00 2.10 N ATOM 0 H HIS A 68 1.876 14.070 1.888 1.00 13.52 H new ATOM 0 HA HIS A 68 3.854 11.876 1.612 1.00 42.51 H new ATOM 0 HB2 HIS A 68 3.869 11.809 4.083 1.00 40.12 H new ATOM 0 HB3 HIS A 68 4.460 13.331 3.447 1.00 40.12 H new ATOM 0 HD2 HIS A 68 1.250 11.986 5.321 1.00 2.23 H new ATOM 0 HE1 HIS A 68 1.409 16.203 5.715 1.00 53.31 H new ATOM 0 HE2 HIS A 68 0.194 14.092 6.429 1.00 2.10 H new ATOM 1094 N VAL A 69 2.182 10.079 1.868 1.00 40.34 N ATOM 1095 CA VAL A 69 1.198 8.996 1.901 1.00 52.22 C ATOM 1096 C VAL A 69 1.114 8.363 3.302 1.00 40.30 C ATOM 1097 O VAL A 69 2.136 8.136 3.961 1.00 2.44 O ATOM 1098 CB VAL A 69 1.552 7.907 0.858 1.00 64.52 C ATOM 1099 CG1 VAL A 69 0.492 6.806 0.828 1.00 14.51 C ATOM 1100 CG2 VAL A 69 1.727 8.528 -0.526 1.00 24.21 C ATOM 0 H VAL A 69 3.094 9.800 1.507 1.00 40.34 H new ATOM 0 HA VAL A 69 0.227 9.426 1.655 1.00 52.22 H new ATOM 0 HB VAL A 69 2.497 7.451 1.154 1.00 64.52 H new ATOM 0 HG11 VAL A 69 0.767 6.056 0.087 1.00 14.51 H new ATOM 0 HG12 VAL A 69 0.425 6.338 1.810 1.00 14.51 H new ATOM 0 HG13 VAL A 69 -0.474 7.238 0.566 1.00 14.51 H new ATOM 0 HG21 VAL A 69 1.975 7.748 -1.246 1.00 24.21 H new ATOM 0 HG22 VAL A 69 0.800 9.016 -0.826 1.00 24.21 H new ATOM 0 HG23 VAL A 69 2.531 9.263 -0.496 1.00 24.21 H new ATOM 1110 N THR A 70 -0.106 8.082 3.760 1.00 24.22 N ATOM 1111 CA THR A 70 -0.323 7.517 5.102 1.00 73.51 C ATOM 1112 C THR A 70 -0.819 6.068 5.035 1.00 61.51 C ATOM 1113 O THR A 70 -0.947 5.488 3.958 1.00 11.12 O ATOM 1114 CB THR A 70 -1.355 8.347 5.910 1.00 51.42 C ATOM 1115 OG1 THR A 70 -2.682 8.107 5.419 1.00 22.44 O ATOM 1116 CG2 THR A 70 -1.045 9.840 5.827 1.00 0.45 C ATOM 0 H THR A 70 -0.962 8.234 3.226 1.00 24.22 H new ATOM 0 HA THR A 70 0.645 7.547 5.602 1.00 73.51 H new ATOM 0 HB THR A 70 -1.291 8.034 6.952 1.00 51.42 H new ATOM 0 HG1 THR A 70 -2.670 8.090 4.439 1.00 22.44 H new ATOM 0 HG21 THR A 70 -1.784 10.398 6.402 1.00 0.45 H new ATOM 0 HG22 THR A 70 -0.051 10.028 6.233 1.00 0.45 H new ATOM 0 HG23 THR A 70 -1.078 10.161 4.786 1.00 0.45 H new ATOM 1124 N GLN A 71 -1.103 5.487 6.200 1.00 42.42 N ATOM 1125 CA GLN A 71 -1.625 4.119 6.281 1.00 70.32 C ATOM 1126 C GLN A 71 -3.045 4.042 5.690 1.00 25.14 C ATOM 1127 O GLN A 71 -3.462 3.006 5.165 1.00 64.45 O ATOM 1128 CB GLN A 71 -1.632 3.659 7.749 1.00 13.42 C ATOM 1129 CG GLN A 71 -1.980 2.189 7.952 1.00 61.22 C ATOM 1130 CD GLN A 71 -2.068 1.809 9.422 1.00 14.31 C ATOM 1131 OE1 GLN A 71 -1.700 0.588 9.751 1.00 11.32 O flip ATOM 1132 NE2 GLN A 71 -2.450 2.616 10.262 1.00 22.42 N flip ATOM 0 H GLN A 71 -0.981 5.942 7.105 1.00 42.42 H new ATOM 0 HA GLN A 71 -0.981 3.460 5.699 1.00 70.32 H new ATOM 0 HB2 GLN A 71 -0.649 3.849 8.180 1.00 13.42 H new ATOM 0 HB3 GLN A 71 -2.346 4.268 8.303 1.00 13.42 H new ATOM 0 HG2 GLN A 71 -2.932 1.974 7.467 1.00 61.22 H new ATOM 0 HG3 GLN A 71 -1.227 1.570 7.464 1.00 61.22 H new ATOM 0 HE21 GLN A 71 -2.729 3.555 9.977 1.00 22.42 H new ATOM 0 HE22 GLN A 71 -2.489 2.349 11.246 1.00 22.42 H new ATOM 1141 N GLU A 72 -3.765 5.162 5.769 1.00 73.21 N ATOM 1142 CA GLU A 72 -5.141 5.261 5.268 1.00 51.11 C ATOM 1143 C GLU A 72 -5.207 5.025 3.749 1.00 54.32 C ATOM 1144 O GLU A 72 -6.072 4.299 3.254 1.00 63.25 O ATOM 1145 CB GLU A 72 -5.710 6.645 5.608 1.00 54.41 C ATOM 1146 CG GLU A 72 -5.689 6.961 7.102 1.00 74.51 C ATOM 1147 CD GLU A 72 -6.073 8.400 7.412 1.00 72.24 C ATOM 1148 OE1 GLU A 72 -7.257 8.757 7.241 1.00 52.43 O ATOM 1149 OE2 GLU A 72 -5.193 9.182 7.839 1.00 65.13 O ATOM 0 H GLU A 72 -3.413 6.026 6.181 1.00 73.21 H new ATOM 0 HA GLU A 72 -5.737 4.486 5.751 1.00 51.11 H new ATOM 0 HB2 GLU A 72 -5.138 7.405 5.076 1.00 54.41 H new ATOM 0 HB3 GLU A 72 -6.736 6.706 5.246 1.00 54.41 H new ATOM 0 HG2 GLU A 72 -6.374 6.289 7.619 1.00 74.51 H new ATOM 0 HG3 GLU A 72 -4.692 6.764 7.495 1.00 74.51 H new ATOM 1156 N ASP A 73 -4.284 5.644 3.018 1.00 45.44 N ATOM 1157 CA ASP A 73 -4.202 5.487 1.563 1.00 64.20 C ATOM 1158 C ASP A 73 -4.012 4.010 1.167 1.00 71.20 C ATOM 1159 O ASP A 73 -4.713 3.490 0.294 1.00 61.33 O ATOM 1160 CB ASP A 73 -3.044 6.330 1.018 1.00 50.43 C ATOM 1161 CG ASP A 73 -3.134 7.781 1.458 1.00 13.42 C ATOM 1162 OD1 ASP A 73 -2.770 8.078 2.617 1.00 30.50 O ATOM 1163 OD2 ASP A 73 -3.576 8.627 0.659 1.00 42.35 O ATOM 0 H ASP A 73 -3.576 6.264 3.410 1.00 45.44 H new ATOM 0 HA ASP A 73 -5.141 5.831 1.129 1.00 64.20 H new ATOM 0 HB2 ASP A 73 -2.098 5.907 1.357 1.00 50.43 H new ATOM 0 HB3 ASP A 73 -3.043 6.282 -0.071 1.00 50.43 H new ATOM 1168 N PHE A 74 -3.067 3.340 1.829 1.00 74.31 N ATOM 1169 CA PHE A 74 -2.762 1.932 1.541 1.00 72.25 C ATOM 1170 C PHE A 74 -3.957 0.998 1.806 1.00 74.04 C ATOM 1171 O PHE A 74 -4.283 0.155 0.972 1.00 63.21 O ATOM 1172 CB PHE A 74 -1.543 1.470 2.353 1.00 52.34 C ATOM 1173 CG PHE A 74 -0.223 1.974 1.815 1.00 71.42 C ATOM 1174 CD1 PHE A 74 0.480 1.240 0.868 1.00 72.05 C ATOM 1175 CD2 PHE A 74 0.315 3.173 2.257 1.00 23.34 C ATOM 1176 CE1 PHE A 74 1.687 1.696 0.371 1.00 21.12 C ATOM 1177 CE2 PHE A 74 1.523 3.633 1.762 1.00 2.52 C ATOM 1178 CZ PHE A 74 2.210 2.891 0.820 1.00 31.25 C ATOM 0 H PHE A 74 -2.497 3.748 2.570 1.00 74.31 H new ATOM 0 HA PHE A 74 -2.536 1.872 0.476 1.00 72.25 H new ATOM 0 HB2 PHE A 74 -1.656 1.806 3.384 1.00 52.34 H new ATOM 0 HB3 PHE A 74 -1.524 0.380 2.373 1.00 52.34 H new ATOM 0 HD1 PHE A 74 0.079 0.301 0.516 1.00 72.05 H new ATOM 0 HD2 PHE A 74 -0.215 3.755 2.996 1.00 23.34 H new ATOM 0 HE1 PHE A 74 2.220 1.117 -0.368 1.00 21.12 H new ATOM 0 HE2 PHE A 74 1.928 4.571 2.112 1.00 2.52 H new ATOM 0 HZ PHE A 74 3.155 3.246 0.436 1.00 31.25 H new ATOM 1188 N GLU A 75 -4.612 1.141 2.961 1.00 14.31 N ATOM 1189 CA GLU A 75 -5.756 0.277 3.294 1.00 44.02 C ATOM 1190 C GLU A 75 -6.949 0.523 2.354 1.00 75.43 C ATOM 1191 O GLU A 75 -7.673 -0.414 2.001 1.00 43.43 O ATOM 1192 CB GLU A 75 -6.177 0.452 4.761 1.00 73.42 C ATOM 1193 CG GLU A 75 -6.566 1.872 5.145 1.00 4.42 C ATOM 1194 CD GLU A 75 -7.012 1.974 6.594 1.00 72.44 C ATOM 1195 OE1 GLU A 75 -6.148 1.907 7.493 1.00 51.12 O ATOM 1196 OE2 GLU A 75 -8.231 2.094 6.845 1.00 33.05 O ATOM 0 H GLU A 75 -4.378 1.833 3.673 1.00 14.31 H new ATOM 0 HA GLU A 75 -5.430 -0.754 3.153 1.00 44.02 H new ATOM 0 HB2 GLU A 75 -7.020 -0.209 4.964 1.00 73.42 H new ATOM 0 HB3 GLU A 75 -5.356 0.129 5.402 1.00 73.42 H new ATOM 0 HG2 GLU A 75 -5.718 2.536 4.980 1.00 4.42 H new ATOM 0 HG3 GLU A 75 -7.370 2.215 4.494 1.00 4.42 H new ATOM 1203 N MET A 76 -7.153 1.780 1.948 1.00 51.20 N ATOM 1204 CA MET A 76 -8.164 2.103 0.932 1.00 71.35 C ATOM 1205 C MET A 76 -7.818 1.443 -0.407 1.00 73.35 C ATOM 1206 O MET A 76 -8.703 0.988 -1.139 1.00 41.02 O ATOM 1207 CB MET A 76 -8.294 3.621 0.752 1.00 55.43 C ATOM 1208 CG MET A 76 -9.018 4.313 1.898 1.00 54.33 C ATOM 1209 SD MET A 76 -10.668 3.633 2.178 1.00 74.42 S ATOM 1210 CE MET A 76 -11.404 3.807 0.546 1.00 55.51 C ATOM 0 H MET A 76 -6.637 2.585 2.303 1.00 51.20 H new ATOM 0 HA MET A 76 -9.121 1.712 1.278 1.00 71.35 H new ATOM 0 HB2 MET A 76 -7.298 4.052 0.650 1.00 55.43 H new ATOM 0 HB3 MET A 76 -8.826 3.824 -0.177 1.00 55.43 H new ATOM 0 HG2 MET A 76 -8.428 4.215 2.809 1.00 54.33 H new ATOM 0 HG3 MET A 76 -9.098 5.379 1.683 1.00 54.33 H new ATOM 0 HE1 MET A 76 -12.486 3.702 0.622 1.00 55.51 H new ATOM 0 HE2 MET A 76 -11.163 4.790 0.141 1.00 55.51 H new ATOM 0 HE3 MET A 76 -11.010 3.035 -0.115 1.00 55.51 H new ATOM 1220 N ALA A 77 -6.525 1.399 -0.719 1.00 11.15 N ATOM 1221 CA ALA A 77 -6.036 0.697 -1.906 1.00 34.33 C ATOM 1222 C ALA A 77 -6.372 -0.797 -1.837 1.00 61.31 C ATOM 1223 O ALA A 77 -6.867 -1.377 -2.800 1.00 40.22 O ATOM 1224 CB ALA A 77 -4.535 0.902 -2.054 1.00 4.43 C ATOM 0 H ALA A 77 -5.793 1.843 -0.164 1.00 11.15 H new ATOM 0 HA ALA A 77 -6.535 1.112 -2.781 1.00 34.33 H new ATOM 0 HB1 ALA A 77 -4.182 0.375 -2.940 1.00 4.43 H new ATOM 0 HB2 ALA A 77 -4.321 1.966 -2.155 1.00 4.43 H new ATOM 0 HB3 ALA A 77 -4.026 0.512 -1.173 1.00 4.43 H new ATOM 1230 N VAL A 78 -6.116 -1.409 -0.678 1.00 51.14 N ATOM 1231 CA VAL A 78 -6.458 -2.820 -0.447 1.00 52.54 C ATOM 1232 C VAL A 78 -7.954 -3.084 -0.675 1.00 44.04 C ATOM 1233 O VAL A 78 -8.333 -4.083 -1.292 1.00 44.31 O ATOM 1234 CB VAL A 78 -6.086 -3.266 0.988 1.00 23.42 C ATOM 1235 CG1 VAL A 78 -6.519 -4.709 1.237 1.00 71.44 C ATOM 1236 CG2 VAL A 78 -4.591 -3.098 1.234 1.00 21.45 C ATOM 0 H VAL A 78 -5.672 -0.951 0.118 1.00 51.14 H new ATOM 0 HA VAL A 78 -5.878 -3.399 -1.166 1.00 52.54 H new ATOM 0 HB VAL A 78 -6.620 -2.627 1.692 1.00 23.42 H new ATOM 0 HG11 VAL A 78 -6.247 -5.000 2.252 1.00 71.44 H new ATOM 0 HG12 VAL A 78 -7.599 -4.791 1.113 1.00 71.44 H new ATOM 0 HG13 VAL A 78 -6.020 -5.367 0.525 1.00 71.44 H new ATOM 0 HG21 VAL A 78 -4.351 -3.417 2.248 1.00 21.45 H new ATOM 0 HG22 VAL A 78 -4.034 -3.706 0.521 1.00 21.45 H new ATOM 0 HG23 VAL A 78 -4.317 -2.050 1.109 1.00 21.45 H new ATOM 1246 N ALA A 79 -8.801 -2.185 -0.167 1.00 31.05 N ATOM 1247 CA ALA A 79 -10.250 -2.290 -0.363 1.00 65.04 C ATOM 1248 C ALA A 79 -10.605 -2.322 -1.857 1.00 50.25 C ATOM 1249 O ALA A 79 -11.437 -3.115 -2.292 1.00 42.20 O ATOM 1250 CB ALA A 79 -10.967 -1.132 0.330 1.00 14.22 C ATOM 0 H ALA A 79 -8.509 -1.377 0.383 1.00 31.05 H new ATOM 0 HA ALA A 79 -10.584 -3.227 0.084 1.00 65.04 H new ATOM 0 HB1 ALA A 79 -12.042 -1.225 0.175 1.00 14.22 H new ATOM 0 HB2 ALA A 79 -10.751 -1.157 1.398 1.00 14.22 H new ATOM 0 HB3 ALA A 79 -10.620 -0.187 -0.088 1.00 14.22 H new ATOM 1256 N LYS A 80 -9.941 -1.469 -2.638 1.00 3.31 N ATOM 1257 CA LYS A 80 -10.150 -1.415 -4.091 1.00 55.12 C ATOM 1258 C LYS A 80 -9.613 -2.681 -4.791 1.00 35.32 C ATOM 1259 O LYS A 80 -10.335 -3.335 -5.547 1.00 14.14 O ATOM 1260 CB LYS A 80 -9.473 -0.164 -4.678 1.00 52.04 C ATOM 1261 CG LYS A 80 -9.504 -0.097 -6.209 1.00 52.54 C ATOM 1262 CD LYS A 80 -10.929 -0.058 -6.779 1.00 51.24 C ATOM 1263 CE LYS A 80 -11.549 1.339 -6.726 1.00 74.52 C ATOM 1264 NZ LYS A 80 -11.735 1.843 -5.338 1.00 73.11 N ATOM 0 H LYS A 80 -9.251 -0.803 -2.290 1.00 3.31 H new ATOM 0 HA LYS A 80 -11.224 -1.364 -4.269 1.00 55.12 H new ATOM 0 HB2 LYS A 80 -9.962 0.723 -4.276 1.00 52.04 H new ATOM 0 HB3 LYS A 80 -8.436 -0.135 -4.344 1.00 52.04 H new ATOM 0 HG2 LYS A 80 -8.962 0.789 -6.539 1.00 52.54 H new ATOM 0 HG3 LYS A 80 -8.979 -0.962 -6.616 1.00 52.54 H new ATOM 0 HD2 LYS A 80 -10.912 -0.404 -7.812 1.00 51.24 H new ATOM 0 HD3 LYS A 80 -11.558 -0.751 -6.221 1.00 51.24 H new ATOM 0 HE2 LYS A 80 -10.914 2.033 -7.276 1.00 74.52 H new ATOM 0 HE3 LYS A 80 -12.514 1.321 -7.232 1.00 74.52 H new ATOM 0 HZ1 LYS A 80 -12.512 2.534 -5.321 1.00 73.11 H new ATOM 0 HZ2 LYS A 80 -11.964 1.048 -4.708 1.00 73.11 H new ATOM 0 HZ3 LYS A 80 -10.859 2.300 -5.014 1.00 73.11 H new ATOM 1278 N VAL A 81 -8.347 -3.018 -4.538 1.00 51.32 N ATOM 1279 CA VAL A 81 -7.704 -4.187 -5.161 1.00 51.31 C ATOM 1280 C VAL A 81 -8.461 -5.491 -4.854 1.00 33.33 C ATOM 1281 O VAL A 81 -8.702 -6.308 -5.749 1.00 12.50 O ATOM 1282 CB VAL A 81 -6.227 -4.321 -4.702 1.00 33.11 C ATOM 1283 CG1 VAL A 81 -5.567 -5.556 -5.314 1.00 13.14 C ATOM 1284 CG2 VAL A 81 -5.441 -3.056 -5.052 1.00 22.41 C ATOM 0 H VAL A 81 -7.741 -2.498 -3.904 1.00 51.32 H new ATOM 0 HA VAL A 81 -7.731 -4.023 -6.238 1.00 51.31 H new ATOM 0 HB VAL A 81 -6.220 -4.444 -3.619 1.00 33.11 H new ATOM 0 HG11 VAL A 81 -4.534 -5.622 -4.974 1.00 13.14 H new ATOM 0 HG12 VAL A 81 -6.109 -6.449 -5.004 1.00 13.14 H new ATOM 0 HG13 VAL A 81 -5.587 -5.478 -6.401 1.00 13.14 H new ATOM 0 HG21 VAL A 81 -4.408 -3.167 -4.723 1.00 22.41 H new ATOM 0 HG22 VAL A 81 -5.464 -2.900 -6.131 1.00 22.41 H new ATOM 0 HG23 VAL A 81 -5.891 -2.198 -4.552 1.00 22.41 H new ATOM 1294 N MET A 82 -8.837 -5.676 -3.589 1.00 32.35 N ATOM 1295 CA MET A 82 -9.612 -6.854 -3.170 1.00 4.41 C ATOM 1296 C MET A 82 -11.113 -6.684 -3.472 1.00 63.24 C ATOM 1297 O MET A 82 -11.878 -7.653 -3.425 1.00 64.02 O ATOM 1298 CB MET A 82 -9.413 -7.112 -1.666 1.00 63.43 C ATOM 1299 CG MET A 82 -7.983 -7.482 -1.283 1.00 22.51 C ATOM 1300 SD MET A 82 -7.451 -9.054 -2.000 1.00 21.13 S ATOM 1301 CE MET A 82 -8.632 -10.187 -1.268 1.00 51.15 C ATOM 0 H MET A 82 -8.620 -5.027 -2.833 1.00 32.35 H new ATOM 0 HA MET A 82 -9.247 -7.708 -3.740 1.00 4.41 H new ATOM 0 HB2 MET A 82 -9.707 -6.220 -1.113 1.00 63.43 H new ATOM 0 HB3 MET A 82 -10.081 -7.915 -1.354 1.00 63.43 H new ATOM 0 HG2 MET A 82 -7.308 -6.691 -1.610 1.00 22.51 H new ATOM 0 HG3 MET A 82 -7.905 -7.538 -0.197 1.00 22.51 H new ATOM 0 HE1 MET A 82 -8.129 -11.118 -1.006 1.00 51.15 H new ATOM 0 HE2 MET A 82 -9.057 -9.739 -0.370 1.00 51.15 H new ATOM 0 HE3 MET A 82 -9.429 -10.393 -1.982 1.00 51.15 H new ATOM 1311 N GLN A 83 -11.516 -5.451 -3.782 1.00 62.33 N ATOM 1312 CA GLN A 83 -12.918 -5.109 -4.053 1.00 74.34 C ATOM 1313 C GLN A 83 -13.831 -5.451 -2.860 1.00 65.44 C ATOM 1314 O GLN A 83 -14.990 -5.832 -3.038 1.00 52.43 O ATOM 1315 CB GLN A 83 -13.418 -5.805 -5.330 1.00 43.44 C ATOM 1316 CG GLN A 83 -12.664 -5.397 -6.594 1.00 70.40 C ATOM 1317 CD GLN A 83 -13.327 -5.904 -7.865 1.00 30.21 C ATOM 1318 OE1 GLN A 83 -13.986 -6.937 -7.867 1.00 13.21 O ATOM 1319 NE2 GLN A 83 -13.161 -5.184 -8.955 1.00 73.04 N ATOM 0 H GLN A 83 -10.879 -4.657 -3.853 1.00 62.33 H new ATOM 0 HA GLN A 83 -12.962 -4.031 -4.206 1.00 74.34 H new ATOM 0 HB2 GLN A 83 -13.333 -6.884 -5.201 1.00 43.44 H new ATOM 0 HB3 GLN A 83 -14.477 -5.582 -5.463 1.00 43.44 H new ATOM 0 HG2 GLN A 83 -12.594 -4.310 -6.635 1.00 70.40 H new ATOM 0 HG3 GLN A 83 -11.645 -5.780 -6.543 1.00 70.40 H new ATOM 0 HE21 GLN A 83 -12.607 -4.328 -8.922 1.00 73.04 H new ATOM 0 HE22 GLN A 83 -13.587 -5.482 -9.833 1.00 73.04 H new