USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ -157:sc= 0.625 (180deg=-0.711) USER MOD Set 1.2: A 61 THR OG1 : rot -136:sc= 2.23 USER MOD Single : A 12 GLN : amide:sc= -0.0277 K(o=-0.028,f=-0.76) USER MOD Single : A 22 SER OG : rot 180:sc= -0.302 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 29 SER OG : rot 170:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -2.16 F(o=-3.2!,f=-2.2) USER MOD Single : A 36 GLN : amide:sc= -0.383! X(o=-0.38!,f=-0.18) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -100:sc= 0.122 USER MOD Single : A 43 CYS SG : rot 37:sc= -1.18 USER MOD Single : A 46 MET CE :methyl 178:sc= -1.72 (180deg=-1.78) USER MOD Single : A 62 TYR OH : rot 33:sc= -0.0731 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 72 MET CE :methyl -178:sc= -1.38 (180deg=-1.39) USER MOD Single : A 73 ASN : amide:sc= 0.884 K(o=0.88,f=-0.29) USER MOD Single : A 77 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-3.3) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc=-0.00945 (180deg=-0.189) USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= 1.1 (180deg=0.49) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -4.969 -18.190 -3.491 1.00 32.23 N ATOM 149 CA GLU A 11 -5.984 -17.700 -4.412 1.00 61.15 C ATOM 150 C GLU A 11 -6.564 -18.840 -5.233 1.00 71.12 C ATOM 151 O GLU A 11 -7.775 -18.941 -5.397 1.00 35.44 O ATOM 152 CB GLU A 11 -5.356 -16.645 -5.335 1.00 14.24 C ATOM 153 CG GLU A 11 -6.179 -16.288 -6.568 1.00 21.32 C ATOM 154 CD GLU A 11 -7.364 -15.402 -6.256 1.00 30.44 C ATOM 155 OE1 GLU A 11 -7.195 -14.420 -5.502 1.00 53.25 O ATOM 156 OE2 GLU A 11 -8.456 -15.661 -6.803 1.00 31.53 O ATOM 0 HA GLU A 11 -6.797 -17.251 -3.842 1.00 61.15 H new ATOM 0 HB2 GLU A 11 -5.184 -15.737 -4.758 1.00 14.24 H new ATOM 0 HB3 GLU A 11 -4.380 -17.005 -5.661 1.00 14.24 H new ATOM 0 HG2 GLU A 11 -5.538 -15.785 -7.292 1.00 21.32 H new ATOM 0 HG3 GLU A 11 -6.533 -17.205 -7.039 1.00 21.32 H new ATOM 163 N GLN A 12 -5.691 -19.710 -5.719 1.00 41.31 N ATOM 164 CA GLN A 12 -6.107 -20.787 -6.602 1.00 3.24 C ATOM 165 C GLN A 12 -7.025 -21.767 -5.866 1.00 62.42 C ATOM 166 O GLN A 12 -7.998 -22.255 -6.426 1.00 64.13 O ATOM 167 CB GLN A 12 -4.876 -21.506 -7.166 1.00 31.51 C ATOM 168 CG GLN A 12 -4.306 -22.575 -6.250 1.00 15.41 C ATOM 169 CD GLN A 12 -2.929 -23.042 -6.663 1.00 34.24 C ATOM 170 OE1 GLN A 12 -2.111 -22.260 -7.135 1.00 14.43 O ATOM 171 NE2 GLN A 12 -2.688 -24.332 -6.533 1.00 24.42 N ATOM 0 H GLN A 12 -4.691 -19.691 -5.517 1.00 41.31 H new ATOM 0 HA GLN A 12 -6.671 -20.363 -7.432 1.00 3.24 H new ATOM 0 HB2 GLN A 12 -5.141 -21.964 -8.119 1.00 31.51 H new ATOM 0 HB3 GLN A 12 -4.100 -20.768 -7.372 1.00 31.51 H new ATOM 0 HG2 GLN A 12 -4.261 -22.186 -5.233 1.00 15.41 H new ATOM 0 HG3 GLN A 12 -4.983 -23.429 -6.235 1.00 15.41 H new ATOM 0 HE21 GLN A 12 -3.398 -24.946 -6.135 1.00 24.42 H new ATOM 0 HE22 GLN A 12 -1.791 -24.716 -6.831 1.00 24.42 H new ATOM 180 N LEU A 13 -6.736 -22.010 -4.591 1.00 34.52 N ATOM 181 CA LEU A 13 -7.490 -22.980 -3.811 1.00 62.54 C ATOM 182 C LEU A 13 -8.805 -22.377 -3.316 1.00 62.13 C ATOM 183 O LEU A 13 -9.734 -23.097 -2.941 1.00 40.31 O ATOM 184 CB LEU A 13 -6.621 -23.486 -2.653 1.00 63.24 C ATOM 185 CG LEU A 13 -7.328 -24.340 -1.605 1.00 11.41 C ATOM 186 CD1 LEU A 13 -6.448 -25.508 -1.190 1.00 50.30 C ATOM 187 CD2 LEU A 13 -7.669 -23.486 -0.397 1.00 41.42 C ATOM 0 H LEU A 13 -5.985 -21.548 -4.078 1.00 34.52 H new ATOM 0 HA LEU A 13 -7.751 -23.830 -4.442 1.00 62.54 H new ATOM 0 HB2 LEU A 13 -5.798 -24.067 -3.070 1.00 63.24 H new ATOM 0 HB3 LEU A 13 -6.181 -22.624 -2.152 1.00 63.24 H new ATOM 0 HG LEU A 13 -8.247 -24.738 -2.034 1.00 11.41 H new ATOM 0 HD11 LEU A 13 -6.967 -26.107 -0.442 1.00 50.30 H new ATOM 0 HD12 LEU A 13 -6.228 -26.126 -2.061 1.00 50.30 H new ATOM 0 HD13 LEU A 13 -5.516 -25.130 -0.769 1.00 50.30 H new ATOM 0 HD21 LEU A 13 -8.174 -24.098 0.350 1.00 41.42 H new ATOM 0 HD22 LEU A 13 -6.753 -23.076 0.029 1.00 41.42 H new ATOM 0 HD23 LEU A 13 -8.325 -22.670 -0.701 1.00 41.42 H new ATOM 199 N ARG A 14 -8.878 -21.052 -3.317 1.00 44.13 N ATOM 200 CA ARG A 14 -10.119 -20.359 -2.999 1.00 74.12 C ATOM 201 C ARG A 14 -10.888 -20.063 -4.275 1.00 65.02 C ATOM 202 O ARG A 14 -12.019 -19.578 -4.239 1.00 33.21 O ATOM 203 CB ARG A 14 -9.842 -19.073 -2.220 1.00 25.30 C ATOM 204 CG ARG A 14 -9.445 -19.346 -0.787 1.00 12.12 C ATOM 205 CD ARG A 14 -9.197 -18.071 0.004 1.00 72.22 C ATOM 206 NE ARG A 14 -9.191 -18.310 1.454 1.00 43.53 N ATOM 207 CZ ARG A 14 -8.483 -19.263 2.078 1.00 22.05 C ATOM 208 NH1 ARG A 14 -7.621 -20.023 1.414 1.00 64.30 N ATOM 209 NH2 ARG A 14 -8.625 -19.433 3.385 1.00 61.10 N ATOM 0 H ARG A 14 -8.094 -20.437 -3.534 1.00 44.13 H new ATOM 0 HA ARG A 14 -10.727 -21.005 -2.366 1.00 74.12 H new ATOM 0 HB2 ARG A 14 -9.047 -18.515 -2.715 1.00 25.30 H new ATOM 0 HB3 ARG A 14 -10.731 -18.443 -2.235 1.00 25.30 H new ATOM 0 HG2 ARG A 14 -10.230 -19.924 -0.300 1.00 12.12 H new ATOM 0 HG3 ARG A 14 -8.543 -19.958 -0.774 1.00 12.12 H new ATOM 0 HD2 ARG A 14 -8.242 -17.640 -0.295 1.00 72.22 H new ATOM 0 HD3 ARG A 14 -9.967 -17.339 -0.239 1.00 72.22 H new ATOM 0 HE ARG A 14 -9.772 -17.703 2.032 1.00 43.53 H new ATOM 0 HH11 ARG A 14 -7.488 -19.887 0.412 1.00 64.30 H new ATOM 0 HH12 ARG A 14 -7.091 -20.743 1.906 1.00 64.30 H new ATOM 0 HH21 ARG A 14 -9.269 -18.841 3.909 1.00 61.10 H new ATOM 0 HH22 ARG A 14 -8.090 -20.156 3.866 1.00 61.10 H new ATOM 223 N LYS A 15 -10.259 -20.367 -5.399 1.00 3.04 N ATOM 224 CA LYS A 15 -10.896 -20.224 -6.691 1.00 34.10 C ATOM 225 C LYS A 15 -11.541 -21.540 -7.098 1.00 12.45 C ATOM 226 O LYS A 15 -10.971 -22.616 -6.918 1.00 43.13 O ATOM 227 CB LYS A 15 -9.884 -19.777 -7.748 1.00 4.43 C ATOM 228 CG LYS A 15 -10.515 -19.456 -9.094 1.00 24.32 C ATOM 229 CD LYS A 15 -9.468 -19.080 -10.131 1.00 0.05 C ATOM 230 CE LYS A 15 -8.756 -17.784 -9.784 1.00 0.15 C ATOM 231 NZ LYS A 15 -9.672 -16.613 -9.806 1.00 75.15 N ATOM 0 H LYS A 15 -9.302 -20.716 -5.438 1.00 3.04 H new ATOM 0 HA LYS A 15 -11.668 -19.458 -6.616 1.00 34.10 H new ATOM 0 HB2 LYS A 15 -9.355 -18.896 -7.384 1.00 4.43 H new ATOM 0 HB3 LYS A 15 -9.140 -20.562 -7.882 1.00 4.43 H new ATOM 0 HG2 LYS A 15 -11.082 -20.318 -9.445 1.00 24.32 H new ATOM 0 HG3 LYS A 15 -11.223 -18.635 -8.978 1.00 24.32 H new ATOM 0 HD2 LYS A 15 -8.736 -19.884 -10.214 1.00 0.05 H new ATOM 0 HD3 LYS A 15 -9.944 -18.981 -11.106 1.00 0.05 H new ATOM 0 HE2 LYS A 15 -8.307 -17.873 -8.795 1.00 0.15 H new ATOM 0 HE3 LYS A 15 -7.942 -17.619 -10.490 1.00 0.15 H new ATOM 0 HZ1 LYS A 15 -9.121 -15.744 -9.953 1.00 75.15 H new ATOM 0 HZ2 LYS A 15 -10.358 -16.723 -10.580 1.00 75.15 H new ATOM 0 HZ3 LYS A 15 -10.179 -16.552 -8.900 1.00 75.15 H new ATOM 245 N LEU A 16 -12.745 -21.444 -7.615 1.00 43.21 N ATOM 246 CA LEU A 16 -13.496 -22.600 -8.048 1.00 42.22 C ATOM 247 C LEU A 16 -13.459 -22.706 -9.567 1.00 75.31 C ATOM 248 O LEU A 16 -13.773 -21.746 -10.273 1.00 2.44 O ATOM 249 CB LEU A 16 -14.936 -22.460 -7.558 1.00 14.34 C ATOM 250 CG LEU A 16 -15.694 -23.765 -7.349 1.00 52.03 C ATOM 251 CD1 LEU A 16 -14.856 -24.742 -6.549 1.00 52.12 C ATOM 252 CD2 LEU A 16 -17.010 -23.491 -6.640 1.00 62.13 C ATOM 0 H LEU A 16 -13.233 -20.558 -7.747 1.00 43.21 H new ATOM 0 HA LEU A 16 -13.056 -23.507 -7.632 1.00 42.22 H new ATOM 0 HB2 LEU A 16 -14.928 -21.911 -6.616 1.00 14.34 H new ATOM 0 HB3 LEU A 16 -15.487 -21.852 -8.276 1.00 14.34 H new ATOM 0 HG LEU A 16 -15.903 -24.210 -8.322 1.00 52.03 H new ATOM 0 HD11 LEU A 16 -15.412 -25.669 -6.409 1.00 52.12 H new ATOM 0 HD12 LEU A 16 -13.931 -24.952 -7.085 1.00 52.12 H new ATOM 0 HD13 LEU A 16 -14.621 -24.309 -5.577 1.00 52.12 H new ATOM 0 HD21 LEU A 16 -17.547 -24.428 -6.494 1.00 62.13 H new ATOM 0 HD22 LEU A 16 -16.813 -23.031 -5.672 1.00 62.13 H new ATOM 0 HD23 LEU A 16 -17.616 -22.817 -7.245 1.00 62.13 H new ATOM 264 N PHE A 17 -13.051 -23.863 -10.056 1.00 13.15 N ATOM 265 CA PHE A 17 -13.028 -24.136 -11.482 1.00 50.10 C ATOM 266 C PHE A 17 -14.387 -24.664 -11.905 1.00 31.21 C ATOM 267 O PHE A 17 -14.772 -25.772 -11.531 1.00 44.11 O ATOM 268 CB PHE A 17 -11.933 -25.159 -11.809 1.00 40.22 C ATOM 269 CG PHE A 17 -11.778 -25.461 -13.278 1.00 41.12 C ATOM 270 CD1 PHE A 17 -11.665 -26.768 -13.724 1.00 35.13 C ATOM 271 CD2 PHE A 17 -11.731 -24.438 -14.208 1.00 20.03 C ATOM 272 CE1 PHE A 17 -11.501 -27.044 -15.071 1.00 52.02 C ATOM 273 CE2 PHE A 17 -11.573 -24.706 -15.553 1.00 24.13 C ATOM 274 CZ PHE A 17 -11.454 -26.009 -15.987 1.00 11.22 C ATOM 0 H PHE A 17 -12.727 -24.638 -9.478 1.00 13.15 H new ATOM 0 HA PHE A 17 -12.809 -23.218 -12.027 1.00 50.10 H new ATOM 0 HB2 PHE A 17 -10.982 -24.790 -11.425 1.00 40.22 H new ATOM 0 HB3 PHE A 17 -12.151 -26.087 -11.281 1.00 40.22 H new ATOM 0 HD1 PHE A 17 -11.705 -27.580 -13.013 1.00 35.13 H new ATOM 0 HD2 PHE A 17 -11.819 -23.414 -13.877 1.00 20.03 H new ATOM 0 HE1 PHE A 17 -11.410 -28.067 -15.406 1.00 52.02 H new ATOM 0 HE2 PHE A 17 -11.543 -23.895 -16.265 1.00 24.13 H new ATOM 0 HZ PHE A 17 -11.325 -26.221 -17.038 1.00 11.22 H new ATOM 284 N ILE A 18 -15.120 -23.861 -12.651 1.00 10.13 N ATOM 285 CA ILE A 18 -16.467 -24.223 -13.047 1.00 21.25 C ATOM 286 C ILE A 18 -16.477 -24.697 -14.483 1.00 41.05 C ATOM 287 O ILE A 18 -16.531 -23.891 -15.407 1.00 21.21 O ATOM 288 CB ILE A 18 -17.452 -23.043 -12.920 1.00 45.33 C ATOM 289 CG1 ILE A 18 -17.200 -22.254 -11.633 1.00 13.12 C ATOM 290 CG2 ILE A 18 -18.884 -23.555 -12.960 1.00 41.21 C ATOM 291 CD1 ILE A 18 -17.269 -23.090 -10.375 1.00 2.05 C ATOM 0 H ILE A 18 -14.806 -22.954 -12.995 1.00 10.13 H new ATOM 0 HA ILE A 18 -16.789 -25.018 -12.374 1.00 21.25 H new ATOM 0 HB ILE A 18 -17.293 -22.369 -13.762 1.00 45.33 H new ATOM 0 HG12 ILE A 18 -16.217 -21.786 -11.692 1.00 13.12 H new ATOM 0 HG13 ILE A 18 -17.932 -21.450 -11.563 1.00 13.12 H new ATOM 0 HG21 ILE A 18 -19.573 -22.715 -12.870 1.00 41.21 H new ATOM 0 HG22 ILE A 18 -19.060 -24.069 -13.905 1.00 41.21 H new ATOM 0 HG23 ILE A 18 -19.046 -24.248 -12.134 1.00 41.21 H new ATOM 0 HD11 ILE A 18 -17.079 -22.458 -9.507 1.00 2.05 H new ATOM 0 HD12 ILE A 18 -18.259 -23.537 -10.289 1.00 2.05 H new ATOM 0 HD13 ILE A 18 -16.518 -23.879 -10.421 1.00 2.05 H new ATOM 303 N GLY A 19 -16.408 -25.998 -14.672 1.00 23.20 N ATOM 304 CA GLY A 19 -16.418 -26.534 -16.010 1.00 42.12 C ATOM 305 C GLY A 19 -17.689 -27.296 -16.296 1.00 52.14 C ATOM 306 O GLY A 19 -18.280 -27.892 -15.389 1.00 45.11 O ATOM 0 H GLY A 19 -16.345 -26.692 -13.927 1.00 23.20 H new ATOM 0 HA2 GLY A 19 -16.311 -25.721 -16.728 1.00 42.12 H new ATOM 0 HA3 GLY A 19 -15.560 -27.193 -16.145 1.00 42.12 H new ATOM 310 N GLY A 20 -18.126 -27.262 -17.543 1.00 24.22 N ATOM 311 CA GLY A 20 -19.324 -27.972 -17.927 1.00 60.44 C ATOM 312 C GLY A 20 -20.543 -27.080 -17.969 1.00 1.31 C ATOM 313 O GLY A 20 -21.670 -27.568 -17.922 1.00 70.13 O ATOM 0 H GLY A 20 -17.669 -26.752 -18.300 1.00 24.22 H new ATOM 0 HA2 GLY A 20 -19.175 -28.423 -18.908 1.00 60.44 H new ATOM 0 HA3 GLY A 20 -19.499 -28.787 -17.225 1.00 60.44 H new ATOM 317 N LEU A 21 -20.328 -25.772 -18.060 1.00 65.43 N ATOM 318 CA LEU A 21 -21.438 -24.831 -18.116 1.00 14.10 C ATOM 319 C LEU A 21 -21.796 -24.500 -19.560 1.00 0.03 C ATOM 320 O LEU A 21 -21.052 -24.828 -20.486 1.00 62.21 O ATOM 321 CB LEU A 21 -21.138 -23.566 -17.293 1.00 11.11 C ATOM 322 CG LEU A 21 -19.784 -22.894 -17.539 1.00 41.51 C ATOM 323 CD1 LEU A 21 -19.843 -21.956 -18.732 1.00 43.04 C ATOM 324 CD2 LEU A 21 -19.343 -22.141 -16.295 1.00 72.42 C ATOM 0 H LEU A 21 -19.403 -25.343 -18.096 1.00 65.43 H new ATOM 0 HA LEU A 21 -22.309 -25.305 -17.665 1.00 14.10 H new ATOM 0 HB2 LEU A 21 -21.922 -22.836 -17.492 1.00 11.11 H new ATOM 0 HB3 LEU A 21 -21.204 -23.824 -16.236 1.00 11.11 H new ATOM 0 HG LEU A 21 -19.054 -23.672 -17.763 1.00 41.51 H new ATOM 0 HD11 LEU A 21 -18.867 -21.495 -18.881 1.00 43.04 H new ATOM 0 HD12 LEU A 21 -20.118 -22.519 -19.624 1.00 43.04 H new ATOM 0 HD13 LEU A 21 -20.587 -21.181 -18.549 1.00 43.04 H new ATOM 0 HD21 LEU A 21 -18.379 -21.666 -16.479 1.00 72.42 H new ATOM 0 HD22 LEU A 21 -20.082 -21.378 -16.050 1.00 72.42 H new ATOM 0 HD23 LEU A 21 -19.251 -22.837 -15.462 1.00 72.42 H new ATOM 336 N SER A 22 -22.943 -23.863 -19.746 1.00 64.21 N ATOM 337 CA SER A 22 -23.473 -23.619 -21.077 1.00 72.43 C ATOM 338 C SER A 22 -22.776 -22.444 -21.750 1.00 23.24 C ATOM 339 O SER A 22 -21.962 -21.751 -21.141 1.00 2.14 O ATOM 340 CB SER A 22 -24.976 -23.365 -21.004 1.00 63.42 C ATOM 341 OG SER A 22 -25.661 -24.499 -20.504 1.00 2.42 O ATOM 0 H SER A 22 -23.525 -23.505 -18.989 1.00 64.21 H new ATOM 0 HA SER A 22 -23.285 -24.508 -21.679 1.00 72.43 H new ATOM 0 HB2 SER A 22 -25.172 -22.506 -20.363 1.00 63.42 H new ATOM 0 HB3 SER A 22 -25.354 -23.116 -21.995 1.00 63.42 H new ATOM 0 HG SER A 22 -26.622 -24.310 -20.465 1.00 2.42 H new ATOM 347 N PHE A 23 -23.118 -22.212 -23.009 1.00 64.43 N ATOM 348 CA PHE A 23 -22.484 -21.163 -23.790 1.00 74.51 C ATOM 349 C PHE A 23 -23.124 -19.810 -23.503 1.00 24.50 C ATOM 350 O PHE A 23 -22.602 -18.768 -23.896 1.00 72.43 O ATOM 351 CB PHE A 23 -22.566 -21.495 -25.281 1.00 55.52 C ATOM 352 CG PHE A 23 -21.918 -22.807 -25.626 1.00 1.54 C ATOM 353 CD1 PHE A 23 -22.689 -23.930 -25.878 1.00 13.25 C ATOM 354 CD2 PHE A 23 -20.537 -22.920 -25.680 1.00 33.45 C ATOM 355 CE1 PHE A 23 -22.095 -25.141 -26.177 1.00 22.04 C ATOM 356 CE2 PHE A 23 -19.939 -24.128 -25.981 1.00 21.43 C ATOM 357 CZ PHE A 23 -20.719 -25.240 -26.229 1.00 21.52 C ATOM 0 H PHE A 23 -23.833 -22.738 -23.511 1.00 64.43 H new ATOM 0 HA PHE A 23 -21.434 -21.104 -23.503 1.00 74.51 H new ATOM 0 HB2 PHE A 23 -23.612 -21.522 -25.585 1.00 55.52 H new ATOM 0 HB3 PHE A 23 -22.088 -20.699 -25.852 1.00 55.52 H new ATOM 0 HD1 PHE A 23 -23.766 -23.858 -25.840 1.00 13.25 H new ATOM 0 HD2 PHE A 23 -19.922 -22.054 -25.485 1.00 33.45 H new ATOM 0 HE1 PHE A 23 -22.707 -26.010 -26.370 1.00 22.04 H new ATOM 0 HE2 PHE A 23 -18.862 -24.203 -26.022 1.00 21.43 H new ATOM 0 HZ PHE A 23 -20.253 -26.186 -26.463 1.00 21.52 H new ATOM 367 N GLU A 24 -24.250 -19.832 -22.803 1.00 3.32 N ATOM 368 CA GLU A 24 -24.937 -18.603 -22.435 1.00 21.24 C ATOM 369 C GLU A 24 -24.551 -18.197 -21.022 1.00 41.00 C ATOM 370 O GLU A 24 -24.875 -17.100 -20.563 1.00 4.00 O ATOM 371 CB GLU A 24 -26.448 -18.790 -22.533 1.00 74.31 C ATOM 372 CG GLU A 24 -26.894 -19.367 -23.861 1.00 64.10 C ATOM 373 CD GLU A 24 -28.397 -19.402 -23.999 1.00 73.01 C ATOM 374 OE1 GLU A 24 -28.955 -18.530 -24.696 1.00 0.30 O ATOM 375 OE2 GLU A 24 -29.034 -20.302 -23.415 1.00 32.55 O ATOM 0 H GLU A 24 -24.706 -20.685 -22.480 1.00 3.32 H new ATOM 0 HA GLU A 24 -24.639 -17.814 -23.125 1.00 21.24 H new ATOM 0 HB2 GLU A 24 -26.779 -19.448 -21.729 1.00 74.31 H new ATOM 0 HB3 GLU A 24 -26.937 -17.828 -22.380 1.00 74.31 H new ATOM 0 HG2 GLU A 24 -26.471 -18.774 -24.672 1.00 64.10 H new ATOM 0 HG3 GLU A 24 -26.499 -20.377 -23.966 1.00 64.10 H new ATOM 382 N THR A 25 -23.863 -19.101 -20.339 1.00 52.13 N ATOM 383 CA THR A 25 -23.388 -18.849 -18.995 1.00 12.33 C ATOM 384 C THR A 25 -22.286 -17.792 -18.997 1.00 41.45 C ATOM 385 O THR A 25 -21.112 -18.087 -19.229 1.00 21.31 O ATOM 386 CB THR A 25 -22.866 -20.144 -18.349 1.00 53.13 C ATOM 387 OG1 THR A 25 -23.903 -21.137 -18.354 1.00 21.52 O ATOM 388 CG2 THR A 25 -22.396 -19.896 -16.923 1.00 33.11 C ATOM 0 H THR A 25 -23.622 -20.023 -20.702 1.00 52.13 H new ATOM 0 HA THR A 25 -24.229 -18.478 -18.410 1.00 12.33 H new ATOM 0 HB THR A 25 -22.015 -20.498 -18.930 1.00 53.13 H new ATOM 0 HG1 THR A 25 -23.788 -21.734 -17.585 1.00 21.52 H new ATOM 0 HG21 THR A 25 -22.033 -20.829 -16.492 1.00 33.11 H new ATOM 0 HG22 THR A 25 -21.591 -19.161 -16.928 1.00 33.11 H new ATOM 0 HG23 THR A 25 -23.227 -19.520 -16.326 1.00 33.11 H new ATOM 396 N THR A 26 -22.684 -16.552 -18.775 1.00 33.02 N ATOM 397 CA THR A 26 -21.748 -15.450 -18.699 1.00 10.11 C ATOM 398 C THR A 26 -21.343 -15.214 -17.247 1.00 41.03 C ATOM 399 O THR A 26 -21.968 -15.754 -16.335 1.00 4.14 O ATOM 400 CB THR A 26 -22.350 -14.169 -19.321 1.00 30.22 C ATOM 401 OG1 THR A 26 -21.469 -13.052 -19.145 1.00 44.11 O ATOM 402 CG2 THR A 26 -23.710 -13.854 -18.722 1.00 62.23 C ATOM 0 H THR A 26 -23.659 -16.284 -18.643 1.00 33.02 H new ATOM 0 HA THR A 26 -20.858 -15.707 -19.273 1.00 10.11 H new ATOM 0 HB THR A 26 -22.476 -14.352 -20.388 1.00 30.22 H new ATOM 0 HG1 THR A 26 -21.869 -12.253 -19.548 1.00 44.11 H new ATOM 0 HG21 THR A 26 -24.108 -12.948 -19.179 1.00 62.23 H new ATOM 0 HG22 THR A 26 -24.391 -14.684 -18.909 1.00 62.23 H new ATOM 0 HG23 THR A 26 -23.608 -13.703 -17.647 1.00 62.23 H new ATOM 410 N ASP A 27 -20.302 -14.414 -17.037 1.00 23.11 N ATOM 411 CA ASP A 27 -19.733 -14.209 -15.705 1.00 53.13 C ATOM 412 C ASP A 27 -20.780 -13.672 -14.742 1.00 60.12 C ATOM 413 O ASP A 27 -20.829 -14.074 -13.581 1.00 20.32 O ATOM 414 CB ASP A 27 -18.527 -13.260 -15.768 1.00 20.43 C ATOM 415 CG ASP A 27 -18.836 -11.841 -15.322 1.00 2.34 C ATOM 416 OD1 ASP A 27 -18.659 -11.531 -14.126 1.00 62.41 O ATOM 417 OD2 ASP A 27 -19.254 -11.029 -16.173 1.00 43.32 O ATOM 0 H ASP A 27 -19.831 -13.893 -17.777 1.00 23.11 H new ATOM 0 HA ASP A 27 -19.393 -15.176 -15.335 1.00 53.13 H new ATOM 0 HB2 ASP A 27 -17.729 -13.661 -15.143 1.00 20.43 H new ATOM 0 HB3 ASP A 27 -18.150 -13.235 -16.790 1.00 20.43 H new ATOM 422 N GLU A 28 -21.625 -12.782 -15.236 1.00 44.41 N ATOM 423 CA GLU A 28 -22.670 -12.190 -14.412 1.00 62.13 C ATOM 424 C GLU A 28 -23.680 -13.241 -13.971 1.00 3.02 C ATOM 425 O GLU A 28 -24.182 -13.197 -12.848 1.00 25.35 O ATOM 426 CB GLU A 28 -23.370 -11.046 -15.147 1.00 43.23 C ATOM 427 CG GLU A 28 -24.102 -11.470 -16.408 1.00 45.42 C ATOM 428 CD GLU A 28 -24.884 -10.338 -17.036 1.00 2.31 C ATOM 429 OE1 GLU A 28 -24.317 -9.616 -17.882 1.00 60.42 O ATOM 430 OE2 GLU A 28 -26.066 -10.163 -16.685 1.00 52.13 O ATOM 0 H GLU A 28 -21.609 -12.453 -16.201 1.00 44.41 H new ATOM 0 HA GLU A 28 -22.195 -11.780 -13.521 1.00 62.13 H new ATOM 0 HB2 GLU A 28 -24.081 -10.575 -14.469 1.00 43.23 H new ATOM 0 HB3 GLU A 28 -22.629 -10.290 -15.407 1.00 43.23 H new ATOM 0 HG2 GLU A 28 -23.381 -11.853 -17.130 1.00 45.42 H new ATOM 0 HG3 GLU A 28 -24.782 -12.288 -16.171 1.00 45.42 H new ATOM 437 N SER A 29 -23.958 -14.199 -14.844 1.00 64.14 N ATOM 438 CA SER A 29 -24.848 -15.291 -14.501 1.00 40.10 C ATOM 439 C SER A 29 -24.129 -16.256 -13.573 1.00 33.53 C ATOM 440 O SER A 29 -24.669 -16.697 -12.560 1.00 50.31 O ATOM 441 CB SER A 29 -25.292 -16.029 -15.761 1.00 31.24 C ATOM 442 OG SER A 29 -25.858 -15.142 -16.708 1.00 30.43 O ATOM 0 H SER A 29 -23.580 -14.239 -15.791 1.00 64.14 H new ATOM 0 HA SER A 29 -25.729 -14.887 -14.002 1.00 40.10 H new ATOM 0 HB2 SER A 29 -24.438 -16.540 -16.205 1.00 31.24 H new ATOM 0 HB3 SER A 29 -26.021 -16.796 -15.498 1.00 31.24 H new ATOM 0 HG SER A 29 -25.984 -15.610 -17.560 1.00 30.43 H new ATOM 448 N LEU A 30 -22.876 -16.521 -13.911 1.00 73.51 N ATOM 449 CA LEU A 30 -22.080 -17.523 -13.221 1.00 25.41 C ATOM 450 C LEU A 30 -21.850 -17.097 -11.779 1.00 31.01 C ATOM 451 O LEU A 30 -22.113 -17.852 -10.845 1.00 54.34 O ATOM 452 CB LEU A 30 -20.742 -17.718 -13.962 1.00 2.43 C ATOM 453 CG LEU A 30 -19.931 -18.977 -13.609 1.00 20.05 C ATOM 454 CD1 LEU A 30 -19.239 -18.837 -12.264 1.00 63.52 C ATOM 455 CD2 LEU A 30 -20.826 -20.205 -13.619 1.00 65.22 C ATOM 0 H LEU A 30 -22.384 -16.049 -14.669 1.00 73.51 H new ATOM 0 HA LEU A 30 -22.612 -18.474 -13.213 1.00 25.41 H new ATOM 0 HB2 LEU A 30 -20.946 -17.734 -15.033 1.00 2.43 H new ATOM 0 HB3 LEU A 30 -20.117 -16.846 -13.770 1.00 2.43 H new ATOM 0 HG LEU A 30 -19.158 -19.097 -14.369 1.00 20.05 H new ATOM 0 HD11 LEU A 30 -18.676 -19.745 -12.048 1.00 63.52 H new ATOM 0 HD12 LEU A 30 -18.558 -17.986 -12.292 1.00 63.52 H new ATOM 0 HD13 LEU A 30 -19.985 -18.679 -11.485 1.00 63.52 H new ATOM 0 HD21 LEU A 30 -20.237 -21.087 -13.367 1.00 65.22 H new ATOM 0 HD22 LEU A 30 -21.623 -20.080 -12.886 1.00 65.22 H new ATOM 0 HD23 LEU A 30 -21.261 -20.330 -14.611 1.00 65.22 H new ATOM 467 N ARG A 31 -21.397 -15.868 -11.604 1.00 14.11 N ATOM 468 CA ARG A 31 -21.083 -15.361 -10.285 1.00 33.12 C ATOM 469 C ARG A 31 -22.354 -15.245 -9.450 1.00 31.20 C ATOM 470 O ARG A 31 -22.337 -15.529 -8.268 1.00 50.12 O ATOM 471 CB ARG A 31 -20.365 -14.010 -10.380 1.00 41.24 C ATOM 472 CG ARG A 31 -21.296 -12.823 -10.549 1.00 3.00 C ATOM 473 CD ARG A 31 -20.580 -11.618 -11.138 1.00 40.20 C ATOM 474 NE ARG A 31 -21.479 -10.476 -11.302 1.00 74.02 N ATOM 475 CZ ARG A 31 -21.394 -9.589 -12.297 1.00 51.21 C ATOM 476 NH1 ARG A 31 -20.497 -9.746 -13.266 1.00 25.34 N ATOM 477 NH2 ARG A 31 -22.222 -8.553 -12.336 1.00 55.34 N ATOM 0 H ARG A 31 -21.239 -15.204 -12.362 1.00 14.11 H new ATOM 0 HA ARG A 31 -20.410 -16.063 -9.793 1.00 33.12 H new ATOM 0 HB2 ARG A 31 -19.768 -13.864 -9.480 1.00 41.24 H new ATOM 0 HB3 ARG A 31 -19.672 -14.037 -11.221 1.00 41.24 H new ATOM 0 HG2 ARG A 31 -22.127 -13.103 -11.196 1.00 3.00 H new ATOM 0 HG3 ARG A 31 -21.721 -12.555 -9.582 1.00 3.00 H new ATOM 0 HD2 ARG A 31 -19.750 -11.336 -10.490 1.00 40.20 H new ATOM 0 HD3 ARG A 31 -20.153 -11.886 -12.105 1.00 40.20 H new ATOM 0 HE ARG A 31 -22.219 -10.349 -10.612 1.00 74.02 H new ATOM 0 HH11 ARG A 31 -19.867 -10.548 -13.253 1.00 25.34 H new ATOM 0 HH12 ARG A 31 -20.439 -9.064 -14.022 1.00 25.34 H new ATOM 0 HH21 ARG A 31 -22.924 -8.433 -11.606 1.00 55.34 H new ATOM 0 HH22 ARG A 31 -22.156 -7.876 -13.096 1.00 55.34 H new ATOM 491 N SER A 32 -23.465 -14.876 -10.082 1.00 31.43 N ATOM 492 CA SER A 32 -24.711 -14.668 -9.357 1.00 43.11 C ATOM 493 C SER A 32 -25.219 -15.985 -8.773 1.00 33.12 C ATOM 494 O SER A 32 -25.691 -16.027 -7.635 1.00 21.31 O ATOM 495 CB SER A 32 -25.767 -14.042 -10.271 1.00 12.34 C ATOM 496 OG SER A 32 -26.877 -13.567 -9.523 1.00 71.11 O ATOM 0 H SER A 32 -23.526 -14.716 -11.088 1.00 31.43 H new ATOM 0 HA SER A 32 -24.518 -13.980 -8.534 1.00 43.11 H new ATOM 0 HB2 SER A 32 -25.324 -13.219 -10.832 1.00 12.34 H new ATOM 0 HB3 SER A 32 -26.105 -14.779 -10.999 1.00 12.34 H new ATOM 0 HG SER A 32 -27.536 -13.171 -10.131 1.00 71.11 H new ATOM 502 N HIS A 33 -25.101 -17.065 -9.540 1.00 63.21 N ATOM 503 CA HIS A 33 -25.522 -18.377 -9.062 1.00 40.14 C ATOM 504 C HIS A 33 -24.577 -18.885 -7.975 1.00 43.43 C ATOM 505 O HIS A 33 -24.983 -19.622 -7.084 1.00 4.22 O ATOM 506 CB HIS A 33 -25.605 -19.392 -10.213 1.00 63.24 C ATOM 507 CG HIS A 33 -26.781 -19.186 -11.127 1.00 35.14 C ATOM 508 ND1 HIS A 33 -26.821 -18.664 -12.377 1.00 12.31 N flip ATOM 509 CD2 HIS A 33 -28.053 -19.560 -10.763 1.00 13.01 C flip ATOM 510 CE1 HIS A 33 -28.126 -18.715 -12.792 1.00 75.43 C flip ATOM 511 NE2 HIS A 33 -28.830 -19.262 -11.791 1.00 2.31 N flip ATOM 0 H HIS A 33 -24.721 -17.058 -10.487 1.00 63.21 H new ATOM 0 HA HIS A 33 -26.519 -18.268 -8.636 1.00 40.14 H new ATOM 0 HB2 HIS A 33 -24.688 -19.336 -10.800 1.00 63.24 H new ATOM 0 HB3 HIS A 33 -25.655 -20.397 -9.794 1.00 63.24 H new ATOM 0 HD2 HIS A 33 -28.356 -20.006 -9.828 1.00 13.01 H new ATOM 0 HE1 HIS A 33 -28.513 -18.379 -13.743 1.00 75.43 H new ATOM 0 HE2 HIS A 33 -29.836 -19.427 -11.819 1.00 2.31 H new ATOM 519 N PHE A 34 -23.323 -18.470 -8.030 1.00 3.03 N ATOM 520 CA PHE A 34 -22.338 -18.918 -7.056 1.00 53.13 C ATOM 521 C PHE A 34 -22.258 -17.973 -5.860 1.00 4.05 C ATOM 522 O PHE A 34 -21.729 -18.341 -4.813 1.00 11.22 O ATOM 523 CB PHE A 34 -20.966 -19.089 -7.713 1.00 14.34 C ATOM 524 CG PHE A 34 -20.834 -20.387 -8.465 1.00 53.50 C ATOM 525 CD1 PHE A 34 -20.220 -21.478 -7.874 1.00 20.04 C ATOM 526 CD2 PHE A 34 -21.330 -20.520 -9.749 1.00 0.34 C ATOM 527 CE1 PHE A 34 -20.104 -22.676 -8.551 1.00 24.32 C ATOM 528 CE2 PHE A 34 -21.217 -21.714 -10.433 1.00 42.33 C ATOM 529 CZ PHE A 34 -20.604 -22.795 -9.833 1.00 24.42 C ATOM 0 H PHE A 34 -22.962 -17.827 -8.735 1.00 3.03 H new ATOM 0 HA PHE A 34 -22.662 -19.889 -6.681 1.00 53.13 H new ATOM 0 HB2 PHE A 34 -20.791 -18.259 -8.397 1.00 14.34 H new ATOM 0 HB3 PHE A 34 -20.193 -19.039 -6.946 1.00 14.34 H new ATOM 0 HD1 PHE A 34 -19.827 -21.391 -6.872 1.00 20.04 H new ATOM 0 HD2 PHE A 34 -21.812 -19.678 -10.223 1.00 0.34 H new ATOM 0 HE1 PHE A 34 -19.623 -23.519 -8.078 1.00 24.32 H new ATOM 0 HE2 PHE A 34 -21.608 -21.802 -11.436 1.00 42.33 H new ATOM 0 HZ PHE A 34 -20.515 -23.731 -10.364 1.00 24.42 H new ATOM 539 N GLU A 35 -22.811 -16.767 -6.003 1.00 0.51 N ATOM 540 CA GLU A 35 -22.873 -15.806 -4.898 1.00 42.42 C ATOM 541 C GLU A 35 -23.897 -16.247 -3.858 1.00 2.23 C ATOM 542 O GLU A 35 -24.126 -15.565 -2.859 1.00 63.33 O ATOM 543 CB GLU A 35 -23.242 -14.401 -5.389 1.00 45.42 C ATOM 544 CG GLU A 35 -22.097 -13.614 -6.000 1.00 74.32 C ATOM 545 CD GLU A 35 -22.437 -12.154 -6.206 1.00 5.44 C ATOM 546 OE1 GLU A 35 -21.716 -11.289 -5.666 1.00 20.55 O ATOM 547 OE2 GLU A 35 -23.441 -11.860 -6.886 1.00 24.22 O ATOM 0 H GLU A 35 -23.223 -16.432 -6.874 1.00 0.51 H new ATOM 0 HA GLU A 35 -21.880 -15.773 -4.450 1.00 42.42 H new ATOM 0 HB2 GLU A 35 -24.038 -14.488 -6.128 1.00 45.42 H new ATOM 0 HB3 GLU A 35 -23.646 -13.834 -4.550 1.00 45.42 H new ATOM 0 HG2 GLU A 35 -21.223 -13.692 -5.354 1.00 74.32 H new ATOM 0 HG3 GLU A 35 -21.826 -14.058 -6.958 1.00 74.32 H new ATOM 554 N GLN A 36 -24.509 -17.391 -4.106 1.00 73.34 N ATOM 555 CA GLN A 36 -25.578 -17.893 -3.260 1.00 31.43 C ATOM 556 C GLN A 36 -25.043 -18.705 -2.088 1.00 12.54 C ATOM 557 O GLN A 36 -25.684 -18.793 -1.045 1.00 34.10 O ATOM 558 CB GLN A 36 -26.538 -18.733 -4.095 1.00 44.34 C ATOM 559 CG GLN A 36 -27.498 -17.895 -4.927 1.00 32.10 C ATOM 560 CD GLN A 36 -28.268 -18.702 -5.955 1.00 10.01 C ATOM 561 OE1 GLN A 36 -29.425 -18.404 -6.253 1.00 31.20 O ATOM 562 NE2 GLN A 36 -27.617 -19.690 -6.546 1.00 53.53 N ATOM 0 H GLN A 36 -24.281 -17.996 -4.895 1.00 73.34 H new ATOM 0 HA GLN A 36 -26.108 -17.037 -2.842 1.00 31.43 H new ATOM 0 HB2 GLN A 36 -25.963 -19.380 -4.757 1.00 44.34 H new ATOM 0 HB3 GLN A 36 -27.112 -19.383 -3.434 1.00 44.34 H new ATOM 0 HG2 GLN A 36 -28.205 -17.399 -4.262 1.00 32.10 H new ATOM 0 HG3 GLN A 36 -26.937 -17.112 -5.437 1.00 32.10 H new ATOM 0 HE21 GLN A 36 -26.659 -19.906 -6.271 1.00 53.53 H new ATOM 0 HE22 GLN A 36 -28.073 -20.236 -7.277 1.00 53.53 H new ATOM 571 N TRP A 37 -23.870 -19.295 -2.256 1.00 53.23 N ATOM 572 CA TRP A 37 -23.260 -20.067 -1.182 1.00 40.12 C ATOM 573 C TRP A 37 -22.013 -19.365 -0.675 1.00 65.30 C ATOM 574 O TRP A 37 -21.239 -19.923 0.104 1.00 61.42 O ATOM 575 CB TRP A 37 -22.927 -21.491 -1.645 1.00 64.12 C ATOM 576 CG TRP A 37 -24.143 -22.291 -2.008 1.00 60.34 C ATOM 577 CD1 TRP A 37 -24.863 -23.101 -1.180 1.00 33.22 C ATOM 578 CD2 TRP A 37 -24.784 -22.354 -3.286 1.00 45.32 C ATOM 579 NE1 TRP A 37 -25.914 -23.660 -1.863 1.00 52.54 N ATOM 580 CE2 TRP A 37 -25.887 -23.219 -3.157 1.00 3.42 C ATOM 581 CE3 TRP A 37 -24.535 -21.764 -4.524 1.00 42.11 C ATOM 582 CZ2 TRP A 37 -26.737 -23.507 -4.221 1.00 31.44 C ATOM 583 CZ3 TRP A 37 -25.379 -22.053 -5.577 1.00 31.31 C ATOM 584 CH2 TRP A 37 -26.469 -22.915 -5.421 1.00 14.11 C ATOM 0 H TRP A 37 -23.325 -19.256 -3.117 1.00 53.23 H new ATOM 0 HA TRP A 37 -23.978 -20.141 -0.365 1.00 40.12 H new ATOM 0 HB2 TRP A 37 -22.262 -21.440 -2.507 1.00 64.12 H new ATOM 0 HB3 TRP A 37 -22.383 -22.006 -0.853 1.00 64.12 H new ATOM 0 HD1 TRP A 37 -24.639 -23.277 -0.138 1.00 33.22 H new ATOM 0 HE1 TRP A 37 -26.603 -24.300 -1.469 1.00 52.54 H new ATOM 0 HE3 TRP A 37 -23.698 -21.094 -4.657 1.00 42.11 H new ATOM 0 HZ2 TRP A 37 -27.578 -24.174 -4.101 1.00 31.44 H new ATOM 0 HZ3 TRP A 37 -25.194 -21.604 -6.542 1.00 31.31 H new ATOM 0 HH2 TRP A 37 -27.111 -23.116 -6.266 1.00 14.11 H new ATOM 595 N GLY A 38 -21.835 -18.125 -1.108 1.00 23.11 N ATOM 596 CA GLY A 38 -20.689 -17.354 -0.679 1.00 14.21 C ATOM 597 C GLY A 38 -20.453 -16.124 -1.528 1.00 33.14 C ATOM 598 O GLY A 38 -21.183 -15.868 -2.480 1.00 35.44 O ATOM 0 H GLY A 38 -22.464 -17.640 -1.748 1.00 23.11 H new ATOM 0 HA2 GLY A 38 -20.830 -17.051 0.359 1.00 14.21 H new ATOM 0 HA3 GLY A 38 -19.801 -17.986 -0.709 1.00 14.21 H new ATOM 602 N THR A 39 -19.424 -15.373 -1.183 1.00 3.33 N ATOM 603 CA THR A 39 -19.091 -14.146 -1.884 1.00 12.42 C ATOM 604 C THR A 39 -17.918 -14.360 -2.834 1.00 64.13 C ATOM 605 O THR A 39 -16.851 -14.792 -2.413 1.00 34.12 O ATOM 606 CB THR A 39 -18.738 -13.037 -0.869 1.00 35.34 C ATOM 607 OG1 THR A 39 -19.918 -12.619 -0.170 1.00 40.44 O ATOM 608 CG2 THR A 39 -18.084 -11.843 -1.548 1.00 10.13 C ATOM 0 H THR A 39 -18.796 -15.595 -0.410 1.00 3.33 H new ATOM 0 HA THR A 39 -19.960 -13.844 -2.468 1.00 12.42 H new ATOM 0 HB THR A 39 -18.021 -13.450 -0.159 1.00 35.34 H new ATOM 0 HG1 THR A 39 -19.686 -11.917 0.473 1.00 40.44 H new ATOM 0 HG21 THR A 39 -17.850 -11.083 -0.802 1.00 10.13 H new ATOM 0 HG22 THR A 39 -17.166 -12.163 -2.041 1.00 10.13 H new ATOM 0 HG23 THR A 39 -18.767 -11.426 -2.288 1.00 10.13 H new ATOM 616 N LEU A 40 -18.106 -14.066 -4.117 1.00 13.12 N ATOM 617 CA LEU A 40 -17.005 -14.174 -5.059 1.00 31.11 C ATOM 618 C LEU A 40 -16.202 -12.884 -5.068 1.00 5.14 C ATOM 619 O LEU A 40 -16.710 -11.817 -5.420 1.00 32.12 O ATOM 620 CB LEU A 40 -17.468 -14.503 -6.489 1.00 40.24 C ATOM 621 CG LEU A 40 -18.243 -15.812 -6.667 1.00 34.21 C ATOM 622 CD1 LEU A 40 -17.721 -16.902 -5.760 1.00 35.24 C ATOM 623 CD2 LEU A 40 -19.713 -15.606 -6.439 1.00 32.51 C ATOM 0 H LEU A 40 -18.991 -13.758 -4.519 1.00 13.12 H new ATOM 0 HA LEU A 40 -16.384 -15.005 -4.723 1.00 31.11 H new ATOM 0 HB2 LEU A 40 -18.094 -13.684 -6.843 1.00 40.24 H new ATOM 0 HB3 LEU A 40 -16.590 -14.535 -7.134 1.00 40.24 H new ATOM 0 HG LEU A 40 -18.092 -16.133 -7.698 1.00 34.21 H new ATOM 0 HD11 LEU A 40 -18.298 -17.813 -5.917 1.00 35.24 H new ATOM 0 HD12 LEU A 40 -16.672 -17.093 -5.987 1.00 35.24 H new ATOM 0 HD13 LEU A 40 -17.816 -16.587 -4.721 1.00 35.24 H new ATOM 0 HD21 LEU A 40 -20.238 -16.552 -6.572 1.00 32.51 H new ATOM 0 HD22 LEU A 40 -19.876 -15.240 -5.425 1.00 32.51 H new ATOM 0 HD23 LEU A 40 -20.093 -14.876 -7.154 1.00 32.51 H new ATOM 635 N THR A 41 -14.954 -12.996 -4.658 1.00 71.34 N ATOM 636 CA THR A 41 -14.027 -11.885 -4.686 1.00 75.32 C ATOM 637 C THR A 41 -13.435 -11.757 -6.086 1.00 35.45 C ATOM 638 O THR A 41 -12.930 -10.703 -6.481 1.00 63.01 O ATOM 639 CB THR A 41 -12.906 -12.088 -3.648 1.00 5.25 C ATOM 640 OG1 THR A 41 -12.275 -13.364 -3.848 1.00 63.25 O ATOM 641 CG2 THR A 41 -13.464 -12.020 -2.235 1.00 62.21 C ATOM 0 H THR A 41 -14.555 -13.862 -4.296 1.00 71.34 H new ATOM 0 HA THR A 41 -14.561 -10.969 -4.433 1.00 75.32 H new ATOM 0 HB THR A 41 -12.173 -11.292 -3.778 1.00 5.25 H new ATOM 0 HG1 THR A 41 -12.624 -14.007 -3.197 1.00 63.25 H new ATOM 0 HG21 THR A 41 -12.656 -12.166 -1.518 1.00 62.21 H new ATOM 0 HG22 THR A 41 -13.923 -11.045 -2.072 1.00 62.21 H new ATOM 0 HG23 THR A 41 -14.213 -12.801 -2.102 1.00 62.21 H new ATOM 649 N ASP A 42 -13.519 -12.853 -6.831 1.00 24.35 N ATOM 650 CA ASP A 42 -13.121 -12.878 -8.228 1.00 62.22 C ATOM 651 C ASP A 42 -14.078 -13.762 -9.008 1.00 60.43 C ATOM 652 O ASP A 42 -14.425 -14.850 -8.559 1.00 72.24 O ATOM 653 CB ASP A 42 -11.693 -13.399 -8.386 1.00 12.32 C ATOM 654 CG ASP A 42 -11.237 -13.386 -9.832 1.00 21.25 C ATOM 655 OD1 ASP A 42 -11.189 -14.464 -10.458 1.00 14.44 O ATOM 656 OD2 ASP A 42 -10.935 -12.287 -10.350 1.00 10.24 O ATOM 0 H ASP A 42 -13.865 -13.747 -6.482 1.00 24.35 H new ATOM 0 HA ASP A 42 -13.155 -11.860 -8.615 1.00 62.22 H new ATOM 0 HB2 ASP A 42 -11.017 -12.788 -7.788 1.00 12.32 H new ATOM 0 HB3 ASP A 42 -11.633 -14.415 -7.997 1.00 12.32 H new ATOM 661 N CYS A 43 -14.520 -13.289 -10.155 1.00 3.44 N ATOM 662 CA CYS A 43 -15.449 -14.047 -10.974 1.00 73.41 C ATOM 663 C CYS A 43 -15.225 -13.751 -12.449 1.00 63.33 C ATOM 664 O CYS A 43 -15.121 -12.588 -12.848 1.00 1.01 O ATOM 665 CB CYS A 43 -16.886 -13.724 -10.568 1.00 63.42 C ATOM 666 SG CYS A 43 -17.210 -11.960 -10.341 1.00 41.13 S ATOM 0 H CYS A 43 -14.252 -12.384 -10.543 1.00 3.44 H new ATOM 0 HA CYS A 43 -15.273 -15.111 -10.814 1.00 73.41 H new ATOM 0 HB2 CYS A 43 -17.563 -14.112 -11.329 1.00 63.42 H new ATOM 0 HB3 CYS A 43 -17.116 -14.247 -9.640 1.00 63.42 H new ATOM 0 HG CYS A 43 -16.542 -11.279 -11.224 1.00 41.13 H new ATOM 672 N VAL A 44 -15.135 -14.801 -13.253 1.00 33.24 N ATOM 673 CA VAL A 44 -14.871 -14.640 -14.679 1.00 41.01 C ATOM 674 C VAL A 44 -15.205 -15.919 -15.449 1.00 73.14 C ATOM 675 O VAL A 44 -15.131 -17.019 -14.902 1.00 31.12 O ATOM 676 CB VAL A 44 -13.391 -14.250 -14.922 1.00 62.43 C ATOM 677 CG1 VAL A 44 -12.453 -15.370 -14.490 1.00 34.23 C ATOM 678 CG2 VAL A 44 -13.153 -13.875 -16.378 1.00 73.01 C ATOM 0 H VAL A 44 -15.240 -15.768 -12.947 1.00 33.24 H new ATOM 0 HA VAL A 44 -15.512 -13.838 -15.045 1.00 41.01 H new ATOM 0 HB VAL A 44 -13.174 -13.374 -14.311 1.00 62.43 H new ATOM 0 HG11 VAL A 44 -11.421 -15.070 -14.671 1.00 34.23 H new ATOM 0 HG12 VAL A 44 -12.591 -15.571 -13.428 1.00 34.23 H new ATOM 0 HG13 VAL A 44 -12.675 -16.271 -15.062 1.00 34.23 H new ATOM 0 HG21 VAL A 44 -12.106 -13.606 -16.518 1.00 73.01 H new ATOM 0 HG22 VAL A 44 -13.398 -14.723 -17.017 1.00 73.01 H new ATOM 0 HG23 VAL A 44 -13.784 -13.027 -16.643 1.00 73.01 H new ATOM 688 N VAL A 45 -15.598 -15.767 -16.706 1.00 64.13 N ATOM 689 CA VAL A 45 -15.843 -16.905 -17.578 1.00 74.11 C ATOM 690 C VAL A 45 -14.966 -16.811 -18.814 1.00 22.45 C ATOM 691 O VAL A 45 -14.595 -15.717 -19.246 1.00 55.43 O ATOM 692 CB VAL A 45 -17.324 -17.009 -18.003 1.00 13.33 C ATOM 693 CG1 VAL A 45 -18.204 -17.279 -16.794 1.00 44.43 C ATOM 694 CG2 VAL A 45 -17.773 -15.748 -18.727 1.00 14.41 C ATOM 0 H VAL A 45 -15.755 -14.860 -17.146 1.00 64.13 H new ATOM 0 HA VAL A 45 -15.597 -17.803 -17.012 1.00 74.11 H new ATOM 0 HB VAL A 45 -17.423 -17.845 -18.696 1.00 13.33 H new ATOM 0 HG11 VAL A 45 -19.245 -17.350 -17.110 1.00 44.43 H new ATOM 0 HG12 VAL A 45 -17.902 -18.216 -16.326 1.00 44.43 H new ATOM 0 HG13 VAL A 45 -18.097 -16.465 -16.077 1.00 44.43 H new ATOM 0 HG21 VAL A 45 -18.819 -15.847 -19.016 1.00 14.41 H new ATOM 0 HG22 VAL A 45 -17.659 -14.889 -18.066 1.00 14.41 H new ATOM 0 HG23 VAL A 45 -17.163 -15.604 -19.619 1.00 14.41 H new ATOM 704 N MET A 46 -14.630 -17.955 -19.374 1.00 24.20 N ATOM 705 CA MET A 46 -13.718 -17.999 -20.498 1.00 54.52 C ATOM 706 C MET A 46 -14.460 -18.064 -21.817 1.00 24.23 C ATOM 707 O MET A 46 -15.412 -18.827 -21.988 1.00 11.53 O ATOM 708 CB MET A 46 -12.761 -19.179 -20.374 1.00 21.01 C ATOM 709 CG MET A 46 -11.583 -18.917 -19.450 1.00 63.34 C ATOM 710 SD MET A 46 -12.061 -18.467 -17.777 1.00 44.05 S ATOM 711 CE MET A 46 -10.444 -18.152 -17.078 1.00 61.33 C ATOM 0 H MET A 46 -14.974 -18.866 -19.070 1.00 24.20 H new ATOM 0 HA MET A 46 -13.140 -17.075 -20.482 1.00 54.52 H new ATOM 0 HB2 MET A 46 -13.312 -20.045 -20.008 1.00 21.01 H new ATOM 0 HB3 MET A 46 -12.384 -19.435 -21.364 1.00 21.01 H new ATOM 0 HG2 MET A 46 -10.957 -19.809 -19.412 1.00 63.34 H new ATOM 0 HG3 MET A 46 -10.973 -18.118 -19.871 1.00 63.34 H new ATOM 0 HE1 MET A 46 -10.552 -17.823 -16.044 1.00 61.33 H new ATOM 0 HE2 MET A 46 -9.850 -19.066 -17.108 1.00 61.33 H new ATOM 0 HE3 MET A 46 -9.943 -17.375 -17.655 1.00 61.33 H new ATOM 856 N ARG A 55 -16.459 -20.701 -23.912 1.00 34.34 N ATOM 857 CA ARG A 55 -15.692 -21.941 -23.920 1.00 43.31 C ATOM 858 C ARG A 55 -16.291 -22.989 -22.986 1.00 12.42 C ATOM 859 O ARG A 55 -15.727 -24.068 -22.813 1.00 33.11 O ATOM 860 CB ARG A 55 -14.226 -21.686 -23.565 1.00 70.31 C ATOM 861 CG ARG A 55 -13.317 -21.651 -24.783 1.00 4.04 C ATOM 862 CD ARG A 55 -11.846 -21.687 -24.399 1.00 72.00 C ATOM 863 NE ARG A 55 -11.332 -20.361 -24.071 1.00 2.11 N ATOM 864 CZ ARG A 55 -10.122 -20.131 -23.567 1.00 62.11 C ATOM 865 NH1 ARG A 55 -9.326 -21.142 -23.247 1.00 2.01 N ATOM 866 NH2 ARG A 55 -9.713 -18.884 -23.376 1.00 71.54 N ATOM 0 HA ARG A 55 -15.740 -22.336 -24.935 1.00 43.31 H new ATOM 0 HB2 ARG A 55 -14.147 -20.739 -23.032 1.00 70.31 H new ATOM 0 HB3 ARG A 55 -13.882 -22.465 -22.884 1.00 70.31 H new ATOM 0 HG2 ARG A 55 -13.544 -22.499 -25.429 1.00 4.04 H new ATOM 0 HG3 ARG A 55 -13.519 -20.748 -25.360 1.00 4.04 H new ATOM 0 HD2 ARG A 55 -11.711 -22.349 -23.544 1.00 72.00 H new ATOM 0 HD3 ARG A 55 -11.267 -22.107 -25.222 1.00 72.00 H new ATOM 0 HE ARG A 55 -11.939 -19.559 -24.239 1.00 2.11 H new ATOM 0 HH11 ARG A 55 -9.640 -22.102 -23.387 1.00 2.01 H new ATOM 0 HH12 ARG A 55 -8.400 -20.959 -22.861 1.00 2.01 H new ATOM 0 HH21 ARG A 55 -10.325 -18.104 -23.615 1.00 71.54 H new ATOM 0 HH22 ARG A 55 -8.786 -18.705 -22.990 1.00 71.54 H new ATOM 880 N GLY A 56 -17.430 -22.670 -22.385 1.00 13.32 N ATOM 881 CA GLY A 56 -18.154 -23.654 -21.600 1.00 22.41 C ATOM 882 C GLY A 56 -17.569 -23.890 -20.218 1.00 64.11 C ATOM 883 O GLY A 56 -17.781 -24.952 -19.624 1.00 30.14 O ATOM 0 H GLY A 56 -17.866 -21.749 -22.426 1.00 13.32 H new ATOM 0 HA2 GLY A 56 -19.189 -23.330 -21.495 1.00 22.41 H new ATOM 0 HA3 GLY A 56 -18.169 -24.599 -22.144 1.00 22.41 H new ATOM 887 N PHE A 57 -16.848 -22.904 -19.691 1.00 72.31 N ATOM 888 CA PHE A 57 -16.304 -23.002 -18.341 1.00 61.44 C ATOM 889 C PHE A 57 -15.853 -21.628 -17.839 1.00 52.32 C ATOM 890 O PHE A 57 -15.708 -20.685 -18.624 1.00 32.51 O ATOM 891 CB PHE A 57 -15.142 -24.008 -18.286 1.00 52.13 C ATOM 892 CG PHE A 57 -13.880 -23.530 -18.940 1.00 41.03 C ATOM 893 CD1 PHE A 57 -12.840 -23.048 -18.171 1.00 61.15 C ATOM 894 CD2 PHE A 57 -13.740 -23.550 -20.316 1.00 63.23 C ATOM 895 CE1 PHE A 57 -11.679 -22.591 -18.759 1.00 34.14 C ATOM 896 CE2 PHE A 57 -12.581 -23.100 -20.914 1.00 32.42 C ATOM 897 CZ PHE A 57 -11.550 -22.617 -20.135 1.00 72.11 C ATOM 0 H PHE A 57 -16.628 -22.033 -20.175 1.00 72.31 H new ATOM 0 HA PHE A 57 -17.095 -23.365 -17.685 1.00 61.44 H new ATOM 0 HB2 PHE A 57 -14.930 -24.244 -17.243 1.00 52.13 H new ATOM 0 HB3 PHE A 57 -15.457 -24.935 -18.765 1.00 52.13 H new ATOM 0 HD1 PHE A 57 -12.937 -23.028 -17.096 1.00 61.15 H new ATOM 0 HD2 PHE A 57 -14.547 -23.922 -20.929 1.00 63.23 H new ATOM 0 HE1 PHE A 57 -10.873 -22.214 -18.146 1.00 34.14 H new ATOM 0 HE2 PHE A 57 -12.481 -23.126 -21.989 1.00 32.42 H new ATOM 0 HZ PHE A 57 -10.643 -22.260 -20.600 1.00 72.11 H new ATOM 907 N GLY A 58 -15.643 -21.527 -16.530 1.00 13.25 N ATOM 908 CA GLY A 58 -15.218 -20.276 -15.928 1.00 31.15 C ATOM 909 C GLY A 58 -14.651 -20.479 -14.533 1.00 30.20 C ATOM 910 O GLY A 58 -14.434 -21.615 -14.109 1.00 52.23 O ATOM 0 H GLY A 58 -15.761 -22.296 -15.871 1.00 13.25 H new ATOM 0 HA2 GLY A 58 -14.465 -19.807 -16.561 1.00 31.15 H new ATOM 0 HA3 GLY A 58 -16.065 -19.591 -15.879 1.00 31.15 H new ATOM 914 N PHE A 59 -14.418 -19.384 -13.816 1.00 61.11 N ATOM 915 CA PHE A 59 -13.849 -19.447 -12.473 1.00 34.31 C ATOM 916 C PHE A 59 -14.571 -18.501 -11.520 1.00 31.52 C ATOM 917 O PHE A 59 -15.149 -17.497 -11.940 1.00 42.15 O ATOM 918 CB PHE A 59 -12.365 -19.076 -12.487 1.00 35.44 C ATOM 919 CG PHE A 59 -11.469 -20.068 -13.172 1.00 5.43 C ATOM 920 CD1 PHE A 59 -10.854 -21.077 -12.452 1.00 14.30 C ATOM 921 CD2 PHE A 59 -11.222 -19.973 -14.528 1.00 23.34 C ATOM 922 CE1 PHE A 59 -10.005 -21.969 -13.075 1.00 63.12 C ATOM 923 CE2 PHE A 59 -10.380 -20.866 -15.159 1.00 44.24 C ATOM 924 CZ PHE A 59 -9.768 -21.862 -14.432 1.00 72.04 C ATOM 0 H PHE A 59 -14.615 -18.438 -14.144 1.00 61.11 H new ATOM 0 HA PHE A 59 -13.970 -20.474 -12.128 1.00 34.31 H new ATOM 0 HB2 PHE A 59 -12.252 -18.109 -12.977 1.00 35.44 H new ATOM 0 HB3 PHE A 59 -12.027 -18.954 -11.458 1.00 35.44 H new ATOM 0 HD1 PHE A 59 -11.040 -21.167 -11.392 1.00 14.30 H new ATOM 0 HD2 PHE A 59 -11.694 -19.189 -15.102 1.00 23.34 H new ATOM 0 HE1 PHE A 59 -9.526 -22.750 -12.503 1.00 63.12 H new ATOM 0 HE2 PHE A 59 -10.202 -20.784 -16.221 1.00 44.24 H new ATOM 0 HZ PHE A 59 -9.104 -22.559 -14.922 1.00 72.04 H new ATOM 934 N VAL A 60 -14.511 -18.825 -10.234 1.00 73.24 N ATOM 935 CA VAL A 60 -15.077 -17.986 -9.181 1.00 33.10 C ATOM 936 C VAL A 60 -14.306 -18.165 -7.882 1.00 21.33 C ATOM 937 O VAL A 60 -14.289 -19.246 -7.301 1.00 11.01 O ATOM 938 CB VAL A 60 -16.576 -18.267 -8.918 1.00 12.32 C ATOM 939 CG1 VAL A 60 -17.449 -17.348 -9.752 1.00 25.03 C ATOM 940 CG2 VAL A 60 -16.922 -19.722 -9.184 1.00 3.00 C ATOM 0 H VAL A 60 -14.069 -19.677 -9.890 1.00 73.24 H new ATOM 0 HA VAL A 60 -14.990 -16.959 -9.537 1.00 33.10 H new ATOM 0 HB VAL A 60 -16.771 -18.066 -7.865 1.00 12.32 H new ATOM 0 HG11 VAL A 60 -18.499 -17.563 -9.552 1.00 25.03 H new ATOM 0 HG12 VAL A 60 -17.235 -16.311 -9.495 1.00 25.03 H new ATOM 0 HG13 VAL A 60 -17.241 -17.510 -10.810 1.00 25.03 H new ATOM 0 HG21 VAL A 60 -17.982 -19.885 -8.990 1.00 3.00 H new ATOM 0 HG22 VAL A 60 -16.702 -19.964 -10.224 1.00 3.00 H new ATOM 0 HG23 VAL A 60 -16.330 -20.362 -8.530 1.00 3.00 H new ATOM 950 N THR A 61 -13.653 -17.106 -7.445 1.00 4.52 N ATOM 951 CA THR A 61 -12.923 -17.125 -6.191 1.00 43.41 C ATOM 952 C THR A 61 -13.815 -16.613 -5.081 1.00 43.34 C ATOM 953 O THR A 61 -14.304 -15.490 -5.151 1.00 22.10 O ATOM 954 CB THR A 61 -11.655 -16.247 -6.248 1.00 12.52 C ATOM 955 OG1 THR A 61 -10.824 -16.632 -7.348 1.00 43.22 O ATOM 956 CG2 THR A 61 -10.859 -16.355 -4.953 1.00 34.35 C ATOM 0 H THR A 61 -13.613 -16.216 -7.943 1.00 4.52 H new ATOM 0 HA THR A 61 -12.620 -18.155 -6.003 1.00 43.41 H new ATOM 0 HB THR A 61 -11.975 -15.214 -6.382 1.00 12.52 H new ATOM 0 HG1 THR A 61 -9.889 -16.665 -7.056 1.00 43.22 H new ATOM 0 HG21 THR A 61 -9.970 -15.727 -5.019 1.00 34.35 H new ATOM 0 HG22 THR A 61 -11.476 -16.024 -4.118 1.00 34.35 H new ATOM 0 HG23 THR A 61 -10.560 -17.391 -4.795 1.00 34.35 H new ATOM 964 N TYR A 62 -14.038 -17.427 -4.071 1.00 24.14 N ATOM 965 CA TYR A 62 -14.854 -17.016 -2.945 1.00 41.31 C ATOM 966 C TYR A 62 -14.032 -16.182 -1.967 1.00 40.13 C ATOM 967 O TYR A 62 -12.838 -15.958 -2.180 1.00 62.35 O ATOM 968 CB TYR A 62 -15.453 -18.237 -2.247 1.00 54.00 C ATOM 969 CG TYR A 62 -16.625 -18.849 -2.985 1.00 64.41 C ATOM 970 CD1 TYR A 62 -17.925 -18.530 -2.625 1.00 51.32 C ATOM 971 CD2 TYR A 62 -16.438 -19.748 -4.028 1.00 43.32 C ATOM 972 CE1 TYR A 62 -19.006 -19.085 -3.276 1.00 64.42 C ATOM 973 CE2 TYR A 62 -17.517 -20.308 -4.689 1.00 44.34 C ATOM 974 CZ TYR A 62 -18.799 -19.972 -4.305 1.00 14.02 C ATOM 975 OH TYR A 62 -19.878 -20.521 -4.952 1.00 35.05 O ATOM 0 H TYR A 62 -13.667 -18.375 -4.005 1.00 24.14 H new ATOM 0 HA TYR A 62 -15.672 -16.398 -3.315 1.00 41.31 H new ATOM 0 HB2 TYR A 62 -14.677 -18.993 -2.127 1.00 54.00 H new ATOM 0 HB3 TYR A 62 -15.776 -17.950 -1.246 1.00 54.00 H new ATOM 0 HD1 TYR A 62 -18.094 -17.832 -1.818 1.00 51.32 H new ATOM 0 HD2 TYR A 62 -15.435 -20.014 -4.327 1.00 43.32 H new ATOM 0 HE1 TYR A 62 -20.011 -18.824 -2.979 1.00 64.42 H new ATOM 0 HE2 TYR A 62 -17.357 -21.003 -5.500 1.00 44.34 H new ATOM 0 HH TYR A 62 -20.609 -19.869 -4.980 1.00 35.05 H new ATOM 985 N ALA A 63 -14.672 -15.710 -0.908 1.00 41.00 N ATOM 986 CA ALA A 63 -13.997 -14.904 0.096 1.00 51.22 C ATOM 987 C ALA A 63 -13.194 -15.801 1.021 1.00 21.45 C ATOM 988 O ALA A 63 -12.127 -15.428 1.512 1.00 41.01 O ATOM 989 CB ALA A 63 -15.006 -14.083 0.884 1.00 3.20 C ATOM 0 H ALA A 63 -15.662 -15.872 -0.722 1.00 41.00 H new ATOM 0 HA ALA A 63 -13.315 -14.214 -0.401 1.00 51.22 H new ATOM 0 HB1 ALA A 63 -14.484 -13.485 1.631 1.00 3.20 H new ATOM 0 HB2 ALA A 63 -15.548 -13.424 0.206 1.00 3.20 H new ATOM 0 HB3 ALA A 63 -15.710 -14.751 1.380 1.00 3.20 H new ATOM 995 N THR A 64 -13.711 -16.995 1.244 1.00 52.33 N ATOM 996 CA THR A 64 -13.037 -17.973 2.069 1.00 40.34 C ATOM 997 C THR A 64 -13.366 -19.383 1.590 1.00 73.22 C ATOM 998 O THR A 64 -14.384 -19.605 0.931 1.00 1.35 O ATOM 999 CB THR A 64 -13.414 -17.804 3.560 1.00 32.32 C ATOM 1000 OG1 THR A 64 -12.798 -18.828 4.355 1.00 73.15 O ATOM 1001 CG2 THR A 64 -14.922 -17.840 3.750 1.00 55.05 C ATOM 0 H THR A 64 -14.602 -17.310 0.861 1.00 52.33 H new ATOM 0 HA THR A 64 -11.963 -17.812 1.977 1.00 40.34 H new ATOM 0 HB THR A 64 -13.047 -16.831 3.887 1.00 32.32 H new ATOM 0 HG1 THR A 64 -13.045 -18.705 5.295 1.00 73.15 H new ATOM 0 HG21 THR A 64 -15.159 -17.719 4.807 1.00 55.05 H new ATOM 0 HG22 THR A 64 -15.380 -17.031 3.181 1.00 55.05 H new ATOM 0 HG23 THR A 64 -15.310 -18.796 3.398 1.00 55.05 H new ATOM 1009 N VAL A 65 -12.483 -20.323 1.907 1.00 13.45 N ATOM 1010 CA VAL A 65 -12.651 -21.723 1.530 1.00 51.45 C ATOM 1011 C VAL A 65 -13.982 -22.297 2.005 1.00 60.30 C ATOM 1012 O VAL A 65 -14.542 -23.182 1.358 1.00 75.10 O ATOM 1013 CB VAL A 65 -11.504 -22.589 2.084 1.00 23.12 C ATOM 1014 CG1 VAL A 65 -10.201 -22.236 1.396 1.00 13.22 C ATOM 1015 CG2 VAL A 65 -11.368 -22.419 3.592 1.00 3.14 C ATOM 0 H VAL A 65 -11.629 -20.137 2.433 1.00 13.45 H new ATOM 0 HA VAL A 65 -12.636 -21.747 0.440 1.00 51.45 H new ATOM 0 HB VAL A 65 -11.740 -23.634 1.881 1.00 23.12 H new ATOM 0 HG11 VAL A 65 -9.399 -22.855 1.797 1.00 13.22 H new ATOM 0 HG12 VAL A 65 -10.296 -22.413 0.325 1.00 13.22 H new ATOM 0 HG13 VAL A 65 -9.970 -21.185 1.571 1.00 13.22 H new ATOM 0 HG21 VAL A 65 -10.551 -23.042 3.956 1.00 3.14 H new ATOM 0 HG22 VAL A 65 -11.159 -21.374 3.823 1.00 3.14 H new ATOM 0 HG23 VAL A 65 -12.297 -22.719 4.077 1.00 3.14 H new ATOM 1025 N GLU A 66 -14.490 -21.778 3.121 1.00 50.14 N ATOM 1026 CA GLU A 66 -15.752 -22.244 3.685 1.00 4.23 C ATOM 1027 C GLU A 66 -16.877 -22.129 2.669 1.00 41.51 C ATOM 1028 O GLU A 66 -17.768 -22.981 2.603 1.00 72.50 O ATOM 1029 CB GLU A 66 -16.106 -21.433 4.931 1.00 2.34 C ATOM 1030 CG GLU A 66 -15.042 -21.481 6.011 1.00 52.35 C ATOM 1031 CD GLU A 66 -14.688 -22.893 6.422 1.00 35.24 C ATOM 1032 OE1 GLU A 66 -15.611 -23.685 6.707 1.00 40.41 O ATOM 1033 OE2 GLU A 66 -13.484 -23.212 6.479 1.00 13.42 O ATOM 0 H GLU A 66 -14.044 -21.031 3.653 1.00 50.14 H new ATOM 0 HA GLU A 66 -15.631 -23.293 3.956 1.00 4.23 H new ATOM 0 HB2 GLU A 66 -16.273 -20.395 4.643 1.00 2.34 H new ATOM 0 HB3 GLU A 66 -17.045 -21.805 5.341 1.00 2.34 H new ATOM 0 HG2 GLU A 66 -14.145 -20.976 5.654 1.00 52.35 H new ATOM 0 HG3 GLU A 66 -15.392 -20.930 6.884 1.00 52.35 H new ATOM 1040 N GLU A 67 -16.815 -21.082 1.867 1.00 31.22 N ATOM 1041 CA GLU A 67 -17.844 -20.815 0.880 1.00 25.43 C ATOM 1042 C GLU A 67 -17.685 -21.737 -0.321 1.00 23.31 C ATOM 1043 O GLU A 67 -18.669 -22.239 -0.867 1.00 30.04 O ATOM 1044 CB GLU A 67 -17.764 -19.365 0.435 1.00 73.33 C ATOM 1045 CG GLU A 67 -17.643 -18.382 1.580 1.00 71.45 C ATOM 1046 CD GLU A 67 -17.732 -16.948 1.112 1.00 23.12 C ATOM 1047 OE1 GLU A 67 -16.934 -16.559 0.242 1.00 64.54 O ATOM 1048 OE2 GLU A 67 -18.597 -16.202 1.616 1.00 53.40 O ATOM 0 H GLU A 67 -16.058 -20.399 1.881 1.00 31.22 H new ATOM 0 HA GLU A 67 -18.819 -21.001 1.332 1.00 25.43 H new ATOM 0 HB2 GLU A 67 -16.907 -19.244 -0.228 1.00 73.33 H new ATOM 0 HB3 GLU A 67 -18.653 -19.123 -0.147 1.00 73.33 H new ATOM 0 HG2 GLU A 67 -18.432 -18.575 2.307 1.00 71.45 H new ATOM 0 HG3 GLU A 67 -16.693 -18.537 2.091 1.00 71.45 H new ATOM 1055 N VAL A 68 -16.437 -21.956 -0.723 1.00 62.55 N ATOM 1056 CA VAL A 68 -16.130 -22.865 -1.823 1.00 34.53 C ATOM 1057 C VAL A 68 -16.692 -24.249 -1.545 1.00 65.32 C ATOM 1058 O VAL A 68 -17.395 -24.830 -2.374 1.00 24.34 O ATOM 1059 CB VAL A 68 -14.609 -22.989 -2.065 1.00 40.15 C ATOM 1060 CG1 VAL A 68 -14.312 -24.137 -3.012 1.00 75.21 C ATOM 1061 CG2 VAL A 68 -14.051 -21.699 -2.626 1.00 72.43 C ATOM 0 H VAL A 68 -15.619 -21.515 -0.302 1.00 62.55 H new ATOM 0 HA VAL A 68 -16.592 -22.443 -2.715 1.00 34.53 H new ATOM 0 HB VAL A 68 -14.129 -23.190 -1.107 1.00 40.15 H new ATOM 0 HG11 VAL A 68 -13.236 -24.209 -3.171 1.00 75.21 H new ATOM 0 HG12 VAL A 68 -14.678 -25.069 -2.581 1.00 75.21 H new ATOM 0 HG13 VAL A 68 -14.808 -23.959 -3.966 1.00 75.21 H new ATOM 0 HG21 VAL A 68 -12.979 -21.807 -2.789 1.00 72.43 H new ATOM 0 HG22 VAL A 68 -14.541 -21.472 -3.573 1.00 72.43 H new ATOM 0 HG23 VAL A 68 -14.231 -20.888 -1.921 1.00 72.43 H new ATOM 1071 N ASP A 69 -16.383 -24.766 -0.368 1.00 73.33 N ATOM 1072 CA ASP A 69 -16.848 -26.084 0.026 1.00 35.22 C ATOM 1073 C ASP A 69 -18.366 -26.131 0.075 1.00 11.13 C ATOM 1074 O ASP A 69 -18.968 -27.138 -0.283 1.00 11.40 O ATOM 1075 CB ASP A 69 -16.252 -26.494 1.372 1.00 3.12 C ATOM 1076 CG ASP A 69 -14.830 -27.004 1.240 1.00 34.32 C ATOM 1077 OD1 ASP A 69 -13.883 -26.193 1.335 1.00 51.54 O ATOM 1078 OD2 ASP A 69 -14.650 -28.221 1.028 1.00 54.34 O ATOM 0 H ASP A 69 -15.812 -24.292 0.332 1.00 73.33 H new ATOM 0 HA ASP A 69 -16.510 -26.797 -0.726 1.00 35.22 H new ATOM 0 HB2 ASP A 69 -16.268 -25.640 2.049 1.00 3.12 H new ATOM 0 HB3 ASP A 69 -16.873 -27.269 1.821 1.00 3.12 H new ATOM 1083 N ALA A 70 -18.988 -25.028 0.473 1.00 61.11 N ATOM 1084 CA ALA A 70 -20.442 -24.961 0.540 1.00 73.22 C ATOM 1085 C ALA A 70 -21.047 -25.115 -0.850 1.00 24.04 C ATOM 1086 O ALA A 70 -22.044 -25.812 -1.032 1.00 64.02 O ATOM 1087 CB ALA A 70 -20.891 -23.654 1.174 1.00 71.50 C ATOM 0 H ALA A 70 -18.511 -24.171 0.753 1.00 61.11 H new ATOM 0 HA ALA A 70 -20.794 -25.782 1.164 1.00 73.22 H new ATOM 0 HB1 ALA A 70 -21.980 -23.624 1.214 1.00 71.50 H new ATOM 0 HB2 ALA A 70 -20.488 -23.583 2.184 1.00 71.50 H new ATOM 0 HB3 ALA A 70 -20.527 -22.817 0.578 1.00 71.50 H new ATOM 1093 N ALA A 71 -20.418 -24.474 -1.832 1.00 23.25 N ATOM 1094 CA ALA A 71 -20.852 -24.578 -3.217 1.00 60.32 C ATOM 1095 C ALA A 71 -20.662 -25.998 -3.732 1.00 12.45 C ATOM 1096 O ALA A 71 -21.452 -26.492 -4.537 1.00 14.10 O ATOM 1097 CB ALA A 71 -20.088 -23.594 -4.088 1.00 13.33 C ATOM 0 H ALA A 71 -19.604 -23.876 -1.690 1.00 23.25 H new ATOM 0 HA ALA A 71 -21.913 -24.333 -3.263 1.00 60.32 H new ATOM 0 HB1 ALA A 71 -20.425 -23.685 -5.121 1.00 13.33 H new ATOM 0 HB2 ALA A 71 -20.269 -22.579 -3.735 1.00 13.33 H new ATOM 0 HB3 ALA A 71 -19.021 -23.812 -4.034 1.00 13.33 H new ATOM 1103 N MET A 72 -19.612 -26.658 -3.251 1.00 54.20 N ATOM 1104 CA MET A 72 -19.341 -28.036 -3.635 1.00 12.15 C ATOM 1105 C MET A 72 -20.396 -28.972 -3.055 1.00 71.04 C ATOM 1106 O MET A 72 -20.846 -29.901 -3.723 1.00 15.20 O ATOM 1107 CB MET A 72 -17.953 -28.480 -3.171 1.00 30.43 C ATOM 1108 CG MET A 72 -16.808 -27.653 -3.729 1.00 63.13 C ATOM 1109 SD MET A 72 -15.235 -28.525 -3.617 1.00 42.10 S ATOM 1110 CE MET A 72 -14.206 -27.491 -4.645 1.00 21.21 C ATOM 0 H MET A 72 -18.938 -26.260 -2.597 1.00 54.20 H new ATOM 0 HA MET A 72 -19.375 -28.085 -4.723 1.00 12.15 H new ATOM 0 HB2 MET A 72 -17.917 -28.439 -2.082 1.00 30.43 H new ATOM 0 HB3 MET A 72 -17.805 -29.522 -3.456 1.00 30.43 H new ATOM 0 HG2 MET A 72 -17.013 -27.405 -4.771 1.00 63.13 H new ATOM 0 HG3 MET A 72 -16.741 -26.711 -3.184 1.00 63.13 H new ATOM 0 HE1 MET A 72 -13.205 -27.919 -4.706 1.00 21.21 H new ATOM 0 HE2 MET A 72 -14.636 -27.430 -5.645 1.00 21.21 H new ATOM 0 HE3 MET A 72 -14.148 -26.492 -4.213 1.00 21.21 H new ATOM 1120 N ASN A 73 -20.792 -28.717 -1.810 1.00 62.12 N ATOM 1121 CA ASN A 73 -21.824 -29.518 -1.150 1.00 62.34 C ATOM 1122 C ASN A 73 -23.176 -29.321 -1.824 1.00 63.10 C ATOM 1123 O ASN A 73 -24.072 -30.154 -1.699 1.00 4.41 O ATOM 1124 CB ASN A 73 -21.952 -29.154 0.340 1.00 31.50 C ATOM 1125 CG ASN A 73 -20.836 -29.710 1.208 1.00 31.32 C ATOM 1126 OD1 ASN A 73 -20.897 -30.851 1.660 1.00 54.10 O ATOM 1127 ND2 ASN A 73 -19.824 -28.902 1.472 1.00 32.34 N ATOM 0 H ASN A 73 -20.415 -27.962 -1.237 1.00 62.12 H new ATOM 0 HA ASN A 73 -21.521 -30.561 -1.235 1.00 62.34 H new ATOM 0 HB2 ASN A 73 -21.969 -28.069 0.439 1.00 31.50 H new ATOM 0 HB3 ASN A 73 -22.907 -29.523 0.713 1.00 31.50 H new ATOM 0 HD21 ASN A 73 -19.060 -29.220 2.069 1.00 32.34 H new ATOM 0 HD22 ASN A 73 -19.807 -27.961 1.079 1.00 32.34 H new ATOM 1134 N ALA A 74 -23.310 -28.223 -2.554 1.00 72.52 N ATOM 1135 CA ALA A 74 -24.580 -27.847 -3.153 1.00 25.33 C ATOM 1136 C ALA A 74 -24.789 -28.485 -4.526 1.00 43.30 C ATOM 1137 O ALA A 74 -25.681 -28.078 -5.276 1.00 35.45 O ATOM 1138 CB ALA A 74 -24.664 -26.336 -3.261 1.00 55.21 C ATOM 0 H ALA A 74 -22.548 -27.573 -2.746 1.00 72.52 H new ATOM 0 HA ALA A 74 -25.373 -28.219 -2.504 1.00 25.33 H new ATOM 0 HB1 ALA A 74 -25.617 -26.056 -3.710 1.00 55.21 H new ATOM 0 HB2 ALA A 74 -24.588 -25.895 -2.267 1.00 55.21 H new ATOM 0 HB3 ALA A 74 -23.848 -25.970 -3.884 1.00 55.21 H new ATOM 1144 N ARG A 75 -23.979 -29.483 -4.859 1.00 24.42 N ATOM 1145 CA ARG A 75 -24.131 -30.185 -6.128 1.00 63.54 C ATOM 1146 C ARG A 75 -25.302 -31.166 -6.069 1.00 43.21 C ATOM 1147 O ARG A 75 -25.663 -31.644 -4.992 1.00 41.02 O ATOM 1148 CB ARG A 75 -22.849 -30.925 -6.515 1.00 1.14 C ATOM 1149 CG ARG A 75 -22.393 -31.955 -5.498 1.00 23.42 C ATOM 1150 CD ARG A 75 -21.350 -32.889 -6.088 1.00 4.33 C ATOM 1151 NE ARG A 75 -20.316 -32.169 -6.834 1.00 72.14 N ATOM 1152 CZ ARG A 75 -19.032 -32.127 -6.480 1.00 72.31 C ATOM 1153 NH1 ARG A 75 -18.622 -32.727 -5.367 1.00 1.14 N ATOM 1154 NH2 ARG A 75 -18.158 -31.483 -7.246 1.00 41.15 N ATOM 0 H ARG A 75 -23.216 -29.822 -4.273 1.00 24.42 H new ATOM 0 HA ARG A 75 -24.336 -29.435 -6.892 1.00 63.54 H new ATOM 0 HB2 ARG A 75 -23.005 -31.421 -7.473 1.00 1.14 H new ATOM 0 HB3 ARG A 75 -22.052 -30.196 -6.659 1.00 1.14 H new ATOM 0 HG2 ARG A 75 -21.979 -31.449 -4.625 1.00 23.42 H new ATOM 0 HG3 ARG A 75 -23.250 -32.534 -5.154 1.00 23.42 H new ATOM 0 HD2 ARG A 75 -20.884 -33.462 -5.286 1.00 4.33 H new ATOM 0 HD3 ARG A 75 -21.839 -33.605 -6.749 1.00 4.33 H new ATOM 0 HE ARG A 75 -20.596 -31.668 -7.677 1.00 72.14 H new ATOM 0 HH11 ARG A 75 -19.292 -33.223 -4.779 1.00 1.14 H new ATOM 0 HH12 ARG A 75 -17.638 -32.691 -5.101 1.00 1.14 H new ATOM 0 HH21 ARG A 75 -18.471 -31.023 -8.101 1.00 41.15 H new ATOM 0 HH22 ARG A 75 -17.174 -31.448 -6.979 1.00 41.15 H new ATOM 1168 N PRO A 76 -25.919 -31.479 -7.222 1.00 41.31 N ATOM 1169 CA PRO A 76 -25.534 -30.918 -8.524 1.00 25.20 C ATOM 1170 C PRO A 76 -25.784 -29.415 -8.608 1.00 13.41 C ATOM 1171 O PRO A 76 -26.889 -28.936 -8.331 1.00 23.10 O ATOM 1172 CB PRO A 76 -26.423 -31.667 -9.522 1.00 75.40 C ATOM 1173 CG PRO A 76 -27.580 -32.151 -8.719 1.00 41.13 C ATOM 1174 CD PRO A 76 -27.043 -32.423 -7.344 1.00 42.20 C ATOM 0 HA PRO A 76 -24.468 -31.039 -8.715 1.00 25.20 H new ATOM 0 HB2 PRO A 76 -26.749 -31.011 -10.329 1.00 75.40 H new ATOM 0 HB3 PRO A 76 -25.887 -32.497 -9.982 1.00 75.40 H new ATOM 0 HG2 PRO A 76 -28.373 -31.404 -8.688 1.00 41.13 H new ATOM 0 HG3 PRO A 76 -28.009 -33.053 -9.156 1.00 41.13 H new ATOM 0 HD2 PRO A 76 -27.798 -32.250 -6.577 1.00 42.20 H new ATOM 0 HD3 PRO A 76 -26.713 -33.456 -7.239 1.00 42.20 H new ATOM 1182 N HIS A 77 -24.749 -28.672 -8.976 1.00 31.13 N ATOM 1183 CA HIS A 77 -24.851 -27.227 -9.058 1.00 25.23 C ATOM 1184 C HIS A 77 -25.643 -26.841 -10.301 1.00 60.31 C ATOM 1185 O HIS A 77 -25.618 -27.553 -11.305 1.00 4.53 O ATOM 1186 CB HIS A 77 -23.462 -26.585 -9.091 1.00 63.43 C ATOM 1187 CG HIS A 77 -23.445 -25.174 -8.587 1.00 64.21 C ATOM 1188 ND1 HIS A 77 -24.079 -24.162 -9.264 1.00 31.22 N ATOM 1189 CD2 HIS A 77 -22.879 -24.668 -7.466 1.00 5.44 C ATOM 1190 CE1 HIS A 77 -23.891 -23.072 -8.548 1.00 72.34 C ATOM 1191 NE2 HIS A 77 -23.168 -23.328 -7.448 1.00 32.24 N ATOM 0 H HIS A 77 -23.833 -29.048 -9.221 1.00 31.13 H new ATOM 0 HA HIS A 77 -25.370 -26.861 -8.172 1.00 25.23 H new ATOM 0 HB2 HIS A 77 -22.778 -27.185 -8.491 1.00 63.43 H new ATOM 0 HB3 HIS A 77 -23.087 -26.602 -10.114 1.00 63.43 H new ATOM 0 HD2 HIS A 77 -22.310 -25.214 -6.729 1.00 5.44 H new ATOM 0 HE1 HIS A 77 -24.271 -22.096 -8.813 1.00 72.34 H new ATOM 0 HE2 HIS A 77 -22.887 -22.655 -6.735 1.00 32.24 H new ATOM 1199 N LYS A 78 -26.339 -25.724 -10.230 1.00 12.22 N ATOM 1200 CA LYS A 78 -27.213 -25.303 -11.305 1.00 50.21 C ATOM 1201 C LYS A 78 -26.999 -23.830 -11.614 1.00 13.44 C ATOM 1202 O LYS A 78 -27.262 -22.966 -10.778 1.00 2.02 O ATOM 1203 CB LYS A 78 -28.676 -25.554 -10.928 1.00 2.23 C ATOM 1204 CG LYS A 78 -29.666 -25.207 -12.031 1.00 64.41 C ATOM 1205 CD LYS A 78 -29.471 -26.082 -13.260 1.00 12.34 C ATOM 1206 CE LYS A 78 -29.768 -27.545 -12.969 1.00 30.22 C ATOM 1207 NZ LYS A 78 -31.185 -27.764 -12.571 1.00 62.32 N ATOM 0 H LYS A 78 -26.315 -25.088 -9.433 1.00 12.22 H new ATOM 0 HA LYS A 78 -26.974 -25.886 -12.195 1.00 50.21 H new ATOM 0 HB2 LYS A 78 -28.797 -26.604 -10.662 1.00 2.23 H new ATOM 0 HB3 LYS A 78 -28.917 -24.970 -10.040 1.00 2.23 H new ATOM 0 HG2 LYS A 78 -30.683 -25.326 -11.657 1.00 64.41 H new ATOM 0 HG3 LYS A 78 -29.549 -24.159 -12.308 1.00 64.41 H new ATOM 0 HD2 LYS A 78 -30.122 -25.732 -14.061 1.00 12.34 H new ATOM 0 HD3 LYS A 78 -28.446 -25.984 -13.616 1.00 12.34 H new ATOM 0 HE2 LYS A 78 -29.545 -28.142 -13.853 1.00 30.22 H new ATOM 0 HE3 LYS A 78 -29.111 -27.896 -12.173 1.00 30.22 H new ATOM 0 HZ1 LYS A 78 -31.400 -28.781 -12.597 1.00 62.32 H new ATOM 0 HZ2 LYS A 78 -31.335 -27.403 -11.607 1.00 62.32 H new ATOM 0 HZ3 LYS A 78 -31.813 -27.261 -13.231 1.00 62.32 H new ATOM 1221 N VAL A 79 -26.507 -23.559 -12.807 1.00 21.23 N ATOM 1222 CA VAL A 79 -26.296 -22.198 -13.263 1.00 55.52 C ATOM 1223 C VAL A 79 -26.753 -22.053 -14.712 1.00 13.54 C ATOM 1224 O VAL A 79 -26.262 -22.749 -15.602 1.00 71.53 O ATOM 1225 CB VAL A 79 -24.815 -21.763 -13.098 1.00 64.51 C ATOM 1226 CG1 VAL A 79 -23.872 -22.909 -13.415 1.00 64.11 C ATOM 1227 CG2 VAL A 79 -24.494 -20.553 -13.965 1.00 21.55 C ATOM 0 H VAL A 79 -26.243 -24.273 -13.486 1.00 21.23 H new ATOM 0 HA VAL A 79 -26.896 -21.535 -12.640 1.00 55.52 H new ATOM 0 HB VAL A 79 -24.671 -21.479 -12.055 1.00 64.51 H new ATOM 0 HG11 VAL A 79 -22.841 -22.577 -13.291 1.00 64.11 H new ATOM 0 HG12 VAL A 79 -24.069 -23.740 -12.738 1.00 64.11 H new ATOM 0 HG13 VAL A 79 -24.028 -23.234 -14.444 1.00 64.11 H new ATOM 0 HG21 VAL A 79 -23.450 -20.273 -13.827 1.00 21.55 H new ATOM 0 HG22 VAL A 79 -24.668 -20.799 -15.012 1.00 21.55 H new ATOM 0 HG23 VAL A 79 -25.134 -19.719 -13.677 1.00 21.55 H new ATOM 1237 N ASP A 80 -27.731 -21.172 -14.923 1.00 50.01 N ATOM 1238 CA ASP A 80 -28.309 -20.924 -16.245 1.00 13.34 C ATOM 1239 C ASP A 80 -28.886 -22.200 -16.847 1.00 22.50 C ATOM 1240 O ASP A 80 -28.828 -22.413 -18.059 1.00 4.33 O ATOM 1241 CB ASP A 80 -27.283 -20.297 -17.197 1.00 54.22 C ATOM 1242 CG ASP A 80 -27.096 -18.812 -16.953 1.00 42.31 C ATOM 1243 OD1 ASP A 80 -26.439 -18.150 -17.784 1.00 40.41 O ATOM 1244 OD2 ASP A 80 -27.628 -18.295 -15.945 1.00 43.41 O ATOM 0 H ASP A 80 -28.146 -20.609 -14.181 1.00 50.01 H new ATOM 0 HA ASP A 80 -29.124 -20.213 -16.111 1.00 13.34 H new ATOM 0 HB2 ASP A 80 -26.326 -20.805 -17.080 1.00 54.22 H new ATOM 0 HB3 ASP A 80 -27.603 -20.455 -18.227 1.00 54.22 H new ATOM 1249 N GLY A 81 -29.459 -23.035 -15.987 1.00 74.12 N ATOM 1250 CA GLY A 81 -30.073 -24.271 -16.436 1.00 12.35 C ATOM 1251 C GLY A 81 -29.066 -25.368 -16.697 1.00 31.11 C ATOM 1252 O GLY A 81 -29.425 -26.463 -17.128 1.00 43.24 O ATOM 0 H GLY A 81 -29.509 -22.876 -14.981 1.00 74.12 H new ATOM 0 HA2 GLY A 81 -30.786 -24.610 -15.684 1.00 12.35 H new ATOM 0 HA3 GLY A 81 -30.638 -24.079 -17.348 1.00 12.35 H new ATOM 1256 N ARG A 82 -27.803 -25.083 -16.429 1.00 23.21 N ATOM 1257 CA ARG A 82 -26.743 -26.038 -16.680 1.00 14.00 C ATOM 1258 C ARG A 82 -26.189 -26.591 -15.375 1.00 50.33 C ATOM 1259 O ARG A 82 -26.003 -25.853 -14.406 1.00 2.31 O ATOM 1260 CB ARG A 82 -25.626 -25.375 -17.487 1.00 32.21 C ATOM 1261 CG ARG A 82 -24.472 -26.304 -17.822 1.00 21.13 C ATOM 1262 CD ARG A 82 -24.937 -27.515 -18.613 1.00 31.23 C ATOM 1263 NE ARG A 82 -25.564 -27.134 -19.874 1.00 41.42 N ATOM 1264 CZ ARG A 82 -26.169 -27.988 -20.694 1.00 72.10 C ATOM 1265 NH1 ARG A 82 -26.287 -29.267 -20.359 1.00 21.03 N ATOM 1266 NH2 ARG A 82 -26.680 -27.553 -21.838 1.00 44.05 N ATOM 0 H ARG A 82 -27.489 -24.195 -16.037 1.00 23.21 H new ATOM 0 HA ARG A 82 -27.156 -26.868 -17.253 1.00 14.00 H new ATOM 0 HB2 ARG A 82 -26.045 -24.983 -18.414 1.00 32.21 H new ATOM 0 HB3 ARG A 82 -25.242 -24.523 -16.925 1.00 32.21 H new ATOM 0 HG2 ARG A 82 -23.722 -25.760 -18.396 1.00 21.13 H new ATOM 0 HG3 ARG A 82 -23.991 -26.634 -16.901 1.00 21.13 H new ATOM 0 HD2 ARG A 82 -24.086 -28.166 -18.813 1.00 31.23 H new ATOM 0 HD3 ARG A 82 -25.644 -28.089 -18.015 1.00 31.23 H new ATOM 0 HE ARG A 82 -25.537 -26.151 -20.143 1.00 41.42 H new ATOM 0 HH11 ARG A 82 -25.913 -29.598 -19.470 1.00 21.03 H new ATOM 0 HH12 ARG A 82 -26.752 -29.919 -20.991 1.00 21.03 H new ATOM 0 HH21 ARG A 82 -26.608 -26.566 -22.086 1.00 44.05 H new ATOM 0 HH22 ARG A 82 -27.145 -28.205 -22.470 1.00 44.05 H new ATOM 1280 N VAL A 83 -25.951 -27.894 -15.353 1.00 1.25 N ATOM 1281 CA VAL A 83 -25.306 -28.531 -14.219 1.00 53.32 C ATOM 1282 C VAL A 83 -23.798 -28.519 -14.427 1.00 71.12 C ATOM 1283 O VAL A 83 -23.304 -28.972 -15.457 1.00 53.35 O ATOM 1284 CB VAL A 83 -25.792 -29.982 -14.033 1.00 5.32 C ATOM 1285 CG1 VAL A 83 -25.130 -30.626 -12.823 1.00 1.31 C ATOM 1286 CG2 VAL A 83 -27.306 -30.021 -13.904 1.00 62.11 C ATOM 0 H VAL A 83 -26.196 -28.531 -16.111 1.00 1.25 H new ATOM 0 HA VAL A 83 -25.567 -27.973 -13.320 1.00 53.32 H new ATOM 0 HB VAL A 83 -25.506 -30.555 -14.915 1.00 5.32 H new ATOM 0 HG11 VAL A 83 -25.489 -31.649 -12.713 1.00 1.31 H new ATOM 0 HG12 VAL A 83 -24.049 -30.634 -12.961 1.00 1.31 H new ATOM 0 HG13 VAL A 83 -25.377 -30.057 -11.927 1.00 1.31 H new ATOM 0 HG21 VAL A 83 -27.634 -31.052 -13.773 1.00 62.11 H new ATOM 0 HG22 VAL A 83 -27.613 -29.431 -13.041 1.00 62.11 H new ATOM 0 HG23 VAL A 83 -27.759 -29.608 -14.805 1.00 62.11 H new ATOM 1296 N VAL A 84 -23.074 -27.983 -13.459 1.00 74.51 N ATOM 1297 CA VAL A 84 -21.633 -27.839 -13.585 1.00 23.24 C ATOM 1298 C VAL A 84 -20.897 -28.671 -12.549 1.00 74.41 C ATOM 1299 O VAL A 84 -21.504 -29.235 -11.632 1.00 31.33 O ATOM 1300 CB VAL A 84 -21.196 -26.368 -13.440 1.00 5.31 C ATOM 1301 CG1 VAL A 84 -21.819 -25.518 -14.532 1.00 22.21 C ATOM 1302 CG2 VAL A 84 -21.560 -25.825 -12.064 1.00 11.52 C ATOM 0 H VAL A 84 -23.459 -27.641 -12.579 1.00 74.51 H new ATOM 0 HA VAL A 84 -21.375 -28.195 -14.583 1.00 23.24 H new ATOM 0 HB VAL A 84 -20.112 -26.324 -13.544 1.00 5.31 H new ATOM 0 HG11 VAL A 84 -21.500 -24.483 -14.414 1.00 22.21 H new ATOM 0 HG12 VAL A 84 -21.500 -25.887 -15.507 1.00 22.21 H new ATOM 0 HG13 VAL A 84 -22.905 -25.573 -14.461 1.00 22.21 H new ATOM 0 HG21 VAL A 84 -21.241 -24.786 -11.987 1.00 11.52 H new ATOM 0 HG22 VAL A 84 -22.639 -25.885 -11.923 1.00 11.52 H new ATOM 0 HG23 VAL A 84 -21.061 -26.416 -11.296 1.00 11.52 H new ATOM 1312 N GLU A 85 -19.587 -28.734 -12.701 1.00 51.24 N ATOM 1313 CA GLU A 85 -18.737 -29.401 -11.738 1.00 65.04 C ATOM 1314 C GLU A 85 -17.749 -28.394 -11.169 1.00 24.34 C ATOM 1315 O GLU A 85 -16.788 -28.011 -11.837 1.00 65.31 O ATOM 1316 CB GLU A 85 -17.997 -30.579 -12.379 1.00 65.44 C ATOM 1317 CG GLU A 85 -17.110 -31.339 -11.404 1.00 11.31 C ATOM 1318 CD GLU A 85 -16.437 -32.541 -12.035 1.00 74.41 C ATOM 1319 OE1 GLU A 85 -15.313 -32.399 -12.559 1.00 40.20 O ATOM 1320 OE2 GLU A 85 -17.028 -33.641 -12.004 1.00 24.30 O ATOM 0 H GLU A 85 -19.087 -28.326 -13.491 1.00 51.24 H new ATOM 0 HA GLU A 85 -19.355 -29.802 -10.934 1.00 65.04 H new ATOM 0 HB2 GLU A 85 -18.726 -31.267 -12.807 1.00 65.44 H new ATOM 0 HB3 GLU A 85 -17.386 -30.210 -13.202 1.00 65.44 H new ATOM 0 HG2 GLU A 85 -16.347 -30.665 -11.013 1.00 11.31 H new ATOM 0 HG3 GLU A 85 -17.710 -31.668 -10.555 1.00 11.31 H new ATOM 1327 N PRO A 86 -18.000 -27.917 -9.946 1.00 23.00 N ATOM 1328 CA PRO A 86 -17.136 -26.954 -9.294 1.00 51.53 C ATOM 1329 C PRO A 86 -15.950 -27.633 -8.614 1.00 44.33 C ATOM 1330 O PRO A 86 -16.110 -28.416 -7.675 1.00 62.31 O ATOM 1331 CB PRO A 86 -18.059 -26.269 -8.288 1.00 75.15 C ATOM 1332 CG PRO A 86 -19.206 -27.205 -8.056 1.00 11.04 C ATOM 1333 CD PRO A 86 -19.147 -28.286 -9.106 1.00 10.41 C ATOM 0 HA PRO A 86 -16.684 -26.249 -9.992 1.00 51.53 H new ATOM 0 HB2 PRO A 86 -17.532 -26.063 -7.356 1.00 75.15 H new ATOM 0 HB3 PRO A 86 -18.411 -25.312 -8.674 1.00 75.15 H new ATOM 0 HG2 PRO A 86 -19.147 -27.640 -7.058 1.00 11.04 H new ATOM 0 HG3 PRO A 86 -20.153 -26.669 -8.114 1.00 11.04 H new ATOM 0 HD2 PRO A 86 -19.010 -29.270 -8.656 1.00 10.41 H new ATOM 0 HD3 PRO A 86 -20.068 -28.326 -9.687 1.00 10.41 H new ATOM 1341 N LYS A 87 -14.763 -27.336 -9.115 1.00 33.23 N ATOM 1342 CA LYS A 87 -13.547 -28.017 -8.693 1.00 65.44 C ATOM 1343 C LYS A 87 -12.562 -27.025 -8.088 1.00 34.00 C ATOM 1344 O LYS A 87 -12.562 -25.855 -8.451 1.00 33.30 O ATOM 1345 CB LYS A 87 -12.921 -28.691 -9.914 1.00 32.21 C ATOM 1346 CG LYS A 87 -13.945 -29.426 -10.768 1.00 44.23 C ATOM 1347 CD LYS A 87 -13.462 -29.634 -12.192 1.00 72.23 C ATOM 1348 CE LYS A 87 -12.373 -30.684 -12.271 1.00 3.34 C ATOM 1349 NZ LYS A 87 -12.818 -31.979 -11.692 1.00 63.15 N ATOM 0 H LYS A 87 -14.613 -26.618 -9.824 1.00 33.23 H new ATOM 0 HA LYS A 87 -13.790 -28.761 -7.934 1.00 65.44 H new ATOM 0 HB2 LYS A 87 -12.420 -27.938 -10.522 1.00 32.21 H new ATOM 0 HB3 LYS A 87 -12.157 -29.395 -9.584 1.00 32.21 H new ATOM 0 HG2 LYS A 87 -14.165 -30.393 -10.316 1.00 44.23 H new ATOM 0 HG3 LYS A 87 -14.877 -28.861 -10.781 1.00 44.23 H new ATOM 0 HD2 LYS A 87 -14.301 -29.933 -12.820 1.00 72.23 H new ATOM 0 HD3 LYS A 87 -13.087 -28.691 -12.590 1.00 72.23 H new ATOM 0 HE2 LYS A 87 -12.083 -30.831 -13.311 1.00 3.34 H new ATOM 0 HE3 LYS A 87 -11.488 -30.332 -11.740 1.00 3.34 H new ATOM 0 HZ1 LYS A 87 -12.370 -32.763 -12.209 1.00 63.15 H new ATOM 0 HZ2 LYS A 87 -12.544 -32.024 -10.690 1.00 63.15 H new ATOM 0 HZ3 LYS A 87 -13.852 -32.058 -11.772 1.00 63.15 H new ATOM 1363 N ARG A 88 -11.741 -27.484 -7.158 1.00 23.30 N ATOM 1364 CA ARG A 88 -10.696 -26.645 -6.585 1.00 73.05 C ATOM 1365 C ARG A 88 -9.689 -26.298 -7.666 1.00 73.54 C ATOM 1366 O ARG A 88 -9.111 -27.189 -8.296 1.00 55.33 O ATOM 1367 CB ARG A 88 -9.989 -27.362 -5.433 1.00 4.45 C ATOM 1368 CG ARG A 88 -9.861 -26.520 -4.175 1.00 55.10 C ATOM 1369 CD ARG A 88 -11.222 -26.298 -3.546 1.00 15.22 C ATOM 1370 NE ARG A 88 -11.166 -25.497 -2.326 1.00 2.21 N ATOM 1371 CZ ARG A 88 -11.867 -25.781 -1.226 1.00 3.10 C ATOM 1372 NH1 ARG A 88 -12.524 -26.928 -1.126 1.00 12.15 N ATOM 1373 NH2 ARG A 88 -11.876 -24.943 -0.202 1.00 65.11 N ATOM 0 H ARG A 88 -11.776 -28.432 -6.783 1.00 23.30 H new ATOM 0 HA ARG A 88 -11.151 -25.736 -6.192 1.00 73.05 H new ATOM 0 HB2 ARG A 88 -10.536 -28.274 -5.195 1.00 4.45 H new ATOM 0 HB3 ARG A 88 -8.994 -27.663 -5.761 1.00 4.45 H new ATOM 0 HG2 ARG A 88 -9.201 -27.016 -3.463 1.00 55.10 H new ATOM 0 HG3 ARG A 88 -9.404 -25.560 -4.417 1.00 55.10 H new ATOM 0 HD2 ARG A 88 -11.873 -25.805 -4.268 1.00 15.22 H new ATOM 0 HD3 ARG A 88 -11.672 -27.264 -3.319 1.00 15.22 H new ATOM 0 HE ARG A 88 -10.559 -24.677 -2.314 1.00 2.21 H new ATOM 0 HH11 ARG A 88 -12.496 -27.600 -1.893 1.00 12.15 H new ATOM 0 HH12 ARG A 88 -13.058 -27.138 -0.282 1.00 12.15 H new ATOM 0 HH21 ARG A 88 -11.345 -24.073 -0.250 1.00 65.11 H new ATOM 0 HH22 ARG A 88 -12.414 -25.167 0.635 1.00 65.11 H new ATOM 1387 N ALA A 89 -9.493 -25.015 -7.891 1.00 12.32 N ATOM 1388 CA ALA A 89 -8.649 -24.566 -8.975 1.00 73.21 C ATOM 1389 C ALA A 89 -7.170 -24.691 -8.631 1.00 43.42 C ATOM 1390 O ALA A 89 -6.755 -24.506 -7.486 1.00 41.34 O ATOM 1391 CB ALA A 89 -8.986 -23.134 -9.355 1.00 60.13 C ATOM 0 H ALA A 89 -9.908 -24.266 -7.337 1.00 12.32 H new ATOM 0 HA ALA A 89 -8.843 -25.214 -9.830 1.00 73.21 H new ATOM 0 HB1 ALA A 89 -8.341 -22.813 -10.173 1.00 60.13 H new ATOM 0 HB2 ALA A 89 -10.028 -23.077 -9.671 1.00 60.13 H new ATOM 0 HB3 ALA A 89 -8.832 -22.483 -8.494 1.00 60.13 H new ATOM 1397 N VAL A 90 -6.389 -25.053 -9.631 1.00 33.35 N ATOM 1398 CA VAL A 90 -4.945 -24.992 -9.533 1.00 12.41 C ATOM 1399 C VAL A 90 -4.491 -23.615 -9.989 1.00 71.42 C ATOM 1400 O VAL A 90 -5.318 -22.779 -10.324 1.00 71.11 O ATOM 1401 CB VAL A 90 -4.271 -26.074 -10.402 1.00 14.10 C ATOM 1402 CG1 VAL A 90 -4.680 -27.464 -9.944 1.00 53.13 C ATOM 1403 CG2 VAL A 90 -4.606 -25.878 -11.874 1.00 5.42 C ATOM 0 H VAL A 90 -6.735 -25.395 -10.527 1.00 33.35 H new ATOM 0 HA VAL A 90 -4.655 -25.173 -8.498 1.00 12.41 H new ATOM 0 HB VAL A 90 -3.192 -25.975 -10.283 1.00 14.10 H new ATOM 0 HG11 VAL A 90 -4.193 -28.211 -10.571 1.00 53.13 H new ATOM 0 HG12 VAL A 90 -4.379 -27.608 -8.906 1.00 53.13 H new ATOM 0 HG13 VAL A 90 -5.762 -27.571 -10.026 1.00 53.13 H new ATOM 0 HG21 VAL A 90 -4.119 -26.654 -12.465 1.00 5.42 H new ATOM 0 HG22 VAL A 90 -5.685 -25.941 -12.013 1.00 5.42 H new ATOM 0 HG23 VAL A 90 -4.254 -24.899 -12.200 1.00 5.42 H new