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+ 160:sc= 2.29 (180deg=1.06) USER MOD Set 1.2: A 61 THR OG1 : rot 76:sc= -0.169! USER MOD Single : A 12 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.74) USER MOD Single : A 22 SER OG : rot 180:sc= -0.447 USER MOD Single : A 25 THR OG1 : rot 87:sc= 0.151 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 29 SER OG : rot 6:sc= 0.972 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -0.0596 F(o=-0.56,f=-0.06) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0729 F(o=-0.95!,f=-0.073) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 36:sc= -0.283 USER MOD Single : A 46 MET CE :methyl 162:sc= -1.09 (180deg=-1.89) USER MOD Single : A 62 TYR OH : rot 45:sc= 1.2 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 72 MET CE :methyl -170:sc= -1.24 (180deg=-2.19!) USER MOD Single : A 73 ASN : amide:sc= 0.727 K(o=0.73,f=-0.23) USER MOD Single : A 77 HIS : no HD1:sc= -0.276 K(o=-0.28,f=-4.7!) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0261 (180deg=-0.183) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.175 -18.238 -3.767 1.00 72.45 N ATOM 149 CA GLU A 11 -6.514 -18.076 -4.304 1.00 51.34 C ATOM 150 C GLU A 11 -6.897 -19.362 -5.020 1.00 2.22 C ATOM 151 O GLU A 11 -8.059 -19.613 -5.290 1.00 43.14 O ATOM 152 CB GLU A 11 -6.581 -16.895 -5.271 1.00 45.35 C ATOM 153 CG GLU A 11 -5.936 -17.185 -6.609 1.00 63.32 C ATOM 154 CD GLU A 11 -5.965 -16.002 -7.548 1.00 4.21 C ATOM 155 OE1 GLU A 11 -6.890 -15.924 -8.386 1.00 5.01 O ATOM 156 OE2 GLU A 11 -5.052 -15.154 -7.467 1.00 65.24 O ATOM 0 HA GLU A 11 -7.209 -17.872 -3.490 1.00 51.34 H new ATOM 0 HB2 GLU A 11 -7.624 -16.622 -5.429 1.00 45.35 H new ATOM 0 HB3 GLU A 11 -6.091 -16.034 -4.817 1.00 45.35 H new ATOM 0 HG2 GLU A 11 -4.902 -17.489 -6.449 1.00 63.32 H new ATOM 0 HG3 GLU A 11 -6.447 -18.026 -7.078 1.00 63.32 H new ATOM 163 N GLN A 12 -5.874 -20.159 -5.320 1.00 52.51 N ATOM 164 CA GLN A 12 -6.026 -21.483 -5.905 1.00 62.22 C ATOM 165 C GLN A 12 -7.057 -22.321 -5.149 1.00 63.24 C ATOM 166 O GLN A 12 -8.042 -22.768 -5.731 1.00 3.35 O ATOM 167 CB GLN A 12 -4.656 -22.173 -5.909 1.00 62.30 C ATOM 168 CG GLN A 12 -4.703 -23.689 -5.957 1.00 4.10 C ATOM 169 CD GLN A 12 -3.319 -24.302 -6.015 1.00 32.23 C ATOM 170 OE1 GLN A 12 -2.344 -23.719 -5.539 1.00 2.13 O ATOM 171 NE2 GLN A 12 -3.225 -25.493 -6.575 1.00 62.43 N ATOM 0 H GLN A 12 -4.902 -19.896 -5.160 1.00 52.51 H new ATOM 0 HA GLN A 12 -6.395 -21.382 -6.926 1.00 62.22 H new ATOM 0 HB2 GLN A 12 -4.088 -21.815 -6.767 1.00 62.30 H new ATOM 0 HB3 GLN A 12 -4.110 -21.869 -5.016 1.00 62.30 H new ATOM 0 HG2 GLN A 12 -5.228 -24.063 -5.078 1.00 4.10 H new ATOM 0 HG3 GLN A 12 -5.276 -24.006 -6.829 1.00 4.10 H new ATOM 0 HE21 GLN A 12 -4.056 -25.943 -6.958 1.00 62.43 H new ATOM 0 HE22 GLN A 12 -2.321 -25.963 -6.625 1.00 62.43 H new ATOM 180 N LEU A 13 -6.855 -22.504 -3.847 1.00 54.12 N ATOM 181 CA LEU A 13 -7.739 -23.369 -3.076 1.00 4.41 C ATOM 182 C LEU A 13 -9.003 -22.618 -2.663 1.00 21.14 C ATOM 183 O LEU A 13 -9.951 -23.212 -2.142 1.00 40.41 O ATOM 184 CB LEU A 13 -7.023 -23.943 -1.843 1.00 72.33 C ATOM 185 CG LEU A 13 -7.244 -23.191 -0.529 1.00 12.11 C ATOM 186 CD1 LEU A 13 -7.115 -24.143 0.647 1.00 1.13 C ATOM 187 CD2 LEU A 13 -6.255 -22.049 -0.388 1.00 32.15 C ATOM 0 H LEU A 13 -6.101 -22.073 -3.312 1.00 54.12 H new ATOM 0 HA LEU A 13 -8.026 -24.205 -3.714 1.00 4.41 H new ATOM 0 HB2 LEU A 13 -7.347 -24.975 -1.707 1.00 72.33 H new ATOM 0 HB3 LEU A 13 -5.953 -23.969 -2.048 1.00 72.33 H new ATOM 0 HG LEU A 13 -8.251 -22.773 -0.539 1.00 12.11 H new ATOM 0 HD11 LEU A 13 -7.274 -23.597 1.577 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -7.860 -24.934 0.559 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -6.118 -24.583 0.651 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -6.431 -21.529 0.554 1.00 32.15 H new ATOM 0 HD22 LEU A 13 -5.239 -22.444 -0.400 1.00 32.15 H new ATOM 0 HD23 LEU A 13 -6.383 -21.352 -1.217 1.00 32.15 H new ATOM 199 N ARG A 14 -9.013 -21.311 -2.900 1.00 33.41 N ATOM 200 CA ARG A 14 -10.179 -20.490 -2.607 1.00 74.03 C ATOM 201 C ARG A 14 -10.982 -20.243 -3.879 1.00 22.11 C ATOM 202 O ARG A 14 -12.016 -19.575 -3.858 1.00 3.22 O ATOM 203 CB ARG A 14 -9.771 -19.152 -1.982 1.00 33.10 C ATOM 204 CG ARG A 14 -9.050 -19.296 -0.653 1.00 22.50 C ATOM 205 CD ARG A 14 -8.965 -17.970 0.087 1.00 63.55 C ATOM 206 NE ARG A 14 -8.428 -18.139 1.435 1.00 53.40 N ATOM 207 CZ ARG A 14 -8.785 -17.408 2.490 1.00 45.32 C ATOM 208 NH1 ARG A 14 -9.672 -16.430 2.372 1.00 1.15 N ATOM 209 NH2 ARG A 14 -8.257 -17.667 3.675 1.00 34.11 N ATOM 0 H ARG A 14 -8.225 -20.798 -3.295 1.00 33.41 H new ATOM 0 HA ARG A 14 -10.797 -21.029 -1.889 1.00 74.03 H new ATOM 0 HB2 ARG A 14 -9.127 -18.616 -2.679 1.00 33.10 H new ATOM 0 HB3 ARG A 14 -10.662 -18.541 -1.838 1.00 33.10 H new ATOM 0 HG2 ARG A 14 -9.571 -20.026 -0.033 1.00 22.50 H new ATOM 0 HG3 ARG A 14 -8.045 -19.682 -0.824 1.00 22.50 H new ATOM 0 HD2 ARG A 14 -8.333 -17.280 -0.473 1.00 63.55 H new ATOM 0 HD3 ARG A 14 -9.956 -17.520 0.144 1.00 63.55 H new ATOM 0 HE ARG A 14 -7.730 -18.869 1.579 1.00 53.40 H new ATOM 0 HH11 ARG A 14 -10.091 -16.229 1.464 1.00 1.15 H new ATOM 0 HH12 ARG A 14 -9.935 -15.879 3.189 1.00 1.15 H new ATOM 0 HH21 ARG A 14 -7.580 -18.423 3.777 1.00 34.11 H new ATOM 0 HH22 ARG A 14 -8.527 -17.110 4.486 1.00 34.11 H new ATOM 223 N LYS A 15 -10.489 -20.776 -4.987 1.00 20.44 N ATOM 224 CA LYS A 15 -11.152 -20.620 -6.267 1.00 25.22 C ATOM 225 C LYS A 15 -11.829 -21.919 -6.669 1.00 71.21 C ATOM 226 O LYS A 15 -11.295 -23.008 -6.455 1.00 44.32 O ATOM 227 CB LYS A 15 -10.145 -20.208 -7.346 1.00 14.33 C ATOM 228 CG LYS A 15 -10.785 -19.752 -8.650 1.00 52.24 C ATOM 229 CD LYS A 15 -9.752 -19.585 -9.757 1.00 14.41 C ATOM 230 CE LYS A 15 -8.607 -18.673 -9.342 1.00 14.14 C ATOM 231 NZ LYS A 15 -9.043 -17.266 -9.122 1.00 14.13 N ATOM 0 H LYS A 15 -9.628 -21.322 -5.022 1.00 20.44 H new ATOM 0 HA LYS A 15 -11.905 -19.838 -6.170 1.00 25.22 H new ATOM 0 HB2 LYS A 15 -9.522 -19.402 -6.958 1.00 14.33 H new ATOM 0 HB3 LYS A 15 -9.485 -21.050 -7.553 1.00 14.33 H new ATOM 0 HG2 LYS A 15 -11.536 -20.478 -8.960 1.00 52.24 H new ATOM 0 HG3 LYS A 15 -11.303 -18.806 -8.490 1.00 52.24 H new ATOM 0 HD2 LYS A 15 -9.355 -20.562 -10.031 1.00 14.41 H new ATOM 0 HD3 LYS A 15 -10.236 -19.177 -10.645 1.00 14.41 H new ATOM 0 HE2 LYS A 15 -8.156 -19.057 -8.427 1.00 14.14 H new ATOM 0 HE3 LYS A 15 -7.835 -18.694 -10.111 1.00 14.14 H new ATOM 0 HZ1 LYS A 15 -8.342 -16.773 -8.533 1.00 14.13 H new ATOM 0 HZ2 LYS A 15 -9.127 -16.781 -10.038 1.00 14.13 H new ATOM 0 HZ3 LYS A 15 -9.965 -17.259 -8.641 1.00 14.13 H new ATOM 245 N LEU A 16 -13.011 -21.794 -7.225 1.00 24.02 N ATOM 246 CA LEU A 16 -13.737 -22.930 -7.743 1.00 41.31 C ATOM 247 C LEU A 16 -13.613 -22.999 -9.261 1.00 62.33 C ATOM 248 O LEU A 16 -13.799 -21.998 -9.959 1.00 71.51 O ATOM 249 CB LEU A 16 -15.205 -22.833 -7.331 1.00 55.43 C ATOM 250 CG LEU A 16 -15.611 -23.694 -6.135 1.00 44.51 C ATOM 251 CD1 LEU A 16 -17.105 -23.600 -5.893 1.00 42.33 C ATOM 252 CD2 LEU A 16 -15.204 -25.139 -6.346 1.00 53.43 C ATOM 0 H LEU A 16 -13.496 -20.903 -7.331 1.00 24.02 H new ATOM 0 HA LEU A 16 -13.310 -23.842 -7.327 1.00 41.31 H new ATOM 0 HB2 LEU A 16 -15.432 -21.792 -7.101 1.00 55.43 H new ATOM 0 HB3 LEU A 16 -15.823 -23.113 -8.184 1.00 55.43 H new ATOM 0 HG LEU A 16 -15.090 -23.315 -5.255 1.00 44.51 H new ATOM 0 HD11 LEU A 16 -17.375 -24.220 -5.038 1.00 42.33 H new ATOM 0 HD12 LEU A 16 -17.376 -22.564 -5.690 1.00 42.33 H new ATOM 0 HD13 LEU A 16 -17.639 -23.949 -6.777 1.00 42.33 H new ATOM 0 HD21 LEU A 16 -15.504 -25.731 -5.482 1.00 53.43 H new ATOM 0 HD22 LEU A 16 -15.693 -25.528 -7.239 1.00 53.43 H new ATOM 0 HD23 LEU A 16 -14.123 -25.198 -6.469 1.00 53.43 H new ATOM 264 N PHE A 17 -13.271 -24.177 -9.753 1.00 62.45 N ATOM 265 CA PHE A 17 -13.193 -24.431 -11.182 1.00 34.44 C ATOM 266 C PHE A 17 -14.530 -24.953 -11.676 1.00 12.42 C ATOM 267 O PHE A 17 -14.998 -26.000 -11.225 1.00 14.20 O ATOM 268 CB PHE A 17 -12.088 -25.448 -11.486 1.00 72.32 C ATOM 269 CG PHE A 17 -11.990 -25.830 -12.940 1.00 62.33 C ATOM 270 CD1 PHE A 17 -11.958 -27.162 -13.319 1.00 2.41 C ATOM 271 CD2 PHE A 17 -11.931 -24.859 -13.927 1.00 12.32 C ATOM 272 CE1 PHE A 17 -11.868 -27.516 -14.651 1.00 13.11 C ATOM 273 CE2 PHE A 17 -11.841 -25.207 -15.261 1.00 4.14 C ATOM 274 CZ PHE A 17 -11.808 -26.537 -15.623 1.00 21.21 C ATOM 0 H PHE A 17 -13.040 -24.984 -9.174 1.00 62.45 H new ATOM 0 HA PHE A 17 -12.954 -23.500 -11.696 1.00 34.44 H new ATOM 0 HB2 PHE A 17 -11.131 -25.037 -11.164 1.00 72.32 H new ATOM 0 HB3 PHE A 17 -12.264 -26.347 -10.896 1.00 72.32 H new ATOM 0 HD1 PHE A 17 -12.004 -27.933 -12.564 1.00 2.41 H new ATOM 0 HD2 PHE A 17 -11.956 -23.816 -13.649 1.00 12.32 H new ATOM 0 HE1 PHE A 17 -11.845 -28.558 -14.932 1.00 13.11 H new ATOM 0 HE2 PHE A 17 -11.797 -24.439 -16.019 1.00 4.14 H new ATOM 0 HZ PHE A 17 -11.735 -26.813 -16.665 1.00 21.21 H new ATOM 284 N ILE A 18 -15.148 -24.215 -12.583 1.00 50.44 N ATOM 285 CA ILE A 18 -16.461 -24.574 -13.086 1.00 22.23 C ATOM 286 C ILE A 18 -16.364 -25.042 -14.522 1.00 12.32 C ATOM 287 O ILE A 18 -16.306 -24.228 -15.440 1.00 3.42 O ATOM 288 CB ILE A 18 -17.441 -23.384 -13.017 1.00 34.02 C ATOM 289 CG1 ILE A 18 -17.360 -22.704 -11.652 1.00 44.35 C ATOM 290 CG2 ILE A 18 -18.862 -23.843 -13.301 1.00 54.24 C ATOM 291 CD1 ILE A 18 -17.482 -23.659 -10.485 1.00 32.33 C ATOM 0 H ILE A 18 -14.760 -23.362 -12.986 1.00 50.44 H new ATOM 0 HA ILE A 18 -16.839 -25.378 -12.454 1.00 22.23 H new ATOM 0 HB ILE A 18 -17.157 -22.660 -13.781 1.00 34.02 H new ATOM 0 HG12 ILE A 18 -16.411 -22.173 -11.577 1.00 44.35 H new ATOM 0 HG13 ILE A 18 -18.150 -21.956 -11.582 1.00 44.35 H new ATOM 0 HG21 ILE A 18 -19.538 -22.989 -13.248 1.00 54.24 H new ATOM 0 HG22 ILE A 18 -18.910 -24.282 -14.297 1.00 54.24 H new ATOM 0 HG23 ILE A 18 -19.159 -24.587 -12.562 1.00 54.24 H new ATOM 0 HD11 ILE A 18 -17.415 -23.102 -9.550 1.00 32.33 H new ATOM 0 HD12 ILE A 18 -18.442 -24.172 -10.534 1.00 32.33 H new ATOM 0 HD13 ILE A 18 -16.676 -24.392 -10.529 1.00 32.33 H new ATOM 303 N GLY A 19 -16.339 -26.345 -14.716 1.00 32.10 N ATOM 304 CA GLY A 19 -16.212 -26.878 -16.052 1.00 1.25 C ATOM 305 C GLY A 19 -17.481 -27.546 -16.525 1.00 24.13 C ATOM 306 O GLY A 19 -18.213 -28.135 -15.727 1.00 23.13 O ATOM 0 H GLY A 19 -16.404 -27.044 -13.976 1.00 32.10 H new ATOM 0 HA2 GLY A 19 -15.950 -26.073 -16.739 1.00 1.25 H new ATOM 0 HA3 GLY A 19 -15.394 -27.598 -16.078 1.00 1.25 H new ATOM 310 N GLY A 20 -17.750 -27.441 -17.818 1.00 71.53 N ATOM 311 CA GLY A 20 -18.909 -28.092 -18.390 1.00 40.00 C ATOM 312 C GLY A 20 -20.148 -27.227 -18.323 1.00 72.12 C ATOM 313 O GLY A 20 -21.248 -27.726 -18.083 1.00 11.24 O ATOM 0 H GLY A 20 -17.184 -26.914 -18.483 1.00 71.53 H new ATOM 0 HA2 GLY A 20 -18.703 -28.347 -19.430 1.00 40.00 H new ATOM 0 HA3 GLY A 20 -19.094 -29.028 -17.863 1.00 40.00 H new ATOM 317 N LEU A 21 -19.973 -25.928 -18.525 1.00 10.23 N ATOM 318 CA LEU A 21 -21.101 -25.009 -18.531 1.00 41.23 C ATOM 319 C LEU A 21 -21.462 -24.605 -19.955 1.00 44.54 C ATOM 320 O LEU A 21 -20.721 -24.889 -20.899 1.00 72.40 O ATOM 321 CB LEU A 21 -20.823 -23.779 -17.649 1.00 53.01 C ATOM 322 CG LEU A 21 -19.465 -23.090 -17.834 1.00 74.51 C ATOM 323 CD1 LEU A 21 -19.435 -22.252 -19.101 1.00 12.33 C ATOM 324 CD2 LEU A 21 -19.151 -22.230 -16.622 1.00 72.12 C ATOM 0 H LEU A 21 -19.066 -25.490 -18.686 1.00 10.23 H new ATOM 0 HA LEU A 21 -21.960 -25.526 -18.104 1.00 41.23 H new ATOM 0 HB2 LEU A 21 -21.606 -23.043 -17.835 1.00 53.01 H new ATOM 0 HB3 LEU A 21 -20.911 -24.082 -16.606 1.00 53.01 H new ATOM 0 HG LEU A 21 -18.703 -23.863 -17.932 1.00 74.51 H new ATOM 0 HD11 LEU A 21 -18.458 -21.778 -19.201 1.00 12.33 H new ATOM 0 HD12 LEU A 21 -19.618 -22.891 -19.965 1.00 12.33 H new ATOM 0 HD13 LEU A 21 -20.207 -21.484 -19.048 1.00 12.33 H new ATOM 0 HD21 LEU A 21 -18.185 -21.744 -16.761 1.00 72.12 H new ATOM 0 HD22 LEU A 21 -19.925 -21.472 -16.504 1.00 72.12 H new ATOM 0 HD23 LEU A 21 -19.117 -22.856 -15.730 1.00 72.12 H new ATOM 336 N SER A 22 -22.599 -23.945 -20.099 1.00 34.54 N ATOM 337 CA SER A 22 -23.117 -23.594 -21.407 1.00 34.34 C ATOM 338 C SER A 22 -22.329 -22.437 -22.020 1.00 50.02 C ATOM 339 O SER A 22 -21.639 -21.698 -21.316 1.00 1.30 O ATOM 340 CB SER A 22 -24.591 -23.215 -21.289 1.00 53.25 C ATOM 341 OG SER A 22 -25.329 -24.231 -20.630 1.00 60.22 O ATOM 0 H SER A 22 -23.183 -23.641 -19.320 1.00 34.54 H new ATOM 0 HA SER A 22 -23.012 -24.459 -22.062 1.00 34.34 H new ATOM 0 HB2 SER A 22 -24.686 -22.278 -20.740 1.00 53.25 H new ATOM 0 HB3 SER A 22 -25.007 -23.046 -22.282 1.00 53.25 H new ATOM 0 HG SER A 22 -26.269 -23.963 -20.566 1.00 60.22 H new ATOM 347 N PHE A 23 -22.455 -22.259 -23.326 1.00 64.32 N ATOM 348 CA PHE A 23 -21.761 -21.178 -24.014 1.00 55.54 C ATOM 349 C PHE A 23 -22.556 -19.884 -23.909 1.00 11.04 C ATOM 350 O PHE A 23 -22.233 -18.879 -24.546 1.00 1.44 O ATOM 351 CB PHE A 23 -21.507 -21.548 -25.474 1.00 2.34 C ATOM 352 CG PHE A 23 -20.636 -22.759 -25.620 1.00 30.14 C ATOM 353 CD1 PHE A 23 -21.180 -23.977 -25.984 1.00 40.43 C ATOM 354 CD2 PHE A 23 -19.275 -22.682 -25.373 1.00 72.35 C ATOM 355 CE1 PHE A 23 -20.383 -25.098 -26.102 1.00 72.12 C ATOM 356 CE2 PHE A 23 -18.472 -23.798 -25.489 1.00 12.52 C ATOM 357 CZ PHE A 23 -19.026 -25.009 -25.854 1.00 32.41 C ATOM 0 H PHE A 23 -23.029 -22.846 -23.931 1.00 64.32 H new ATOM 0 HA PHE A 23 -20.795 -21.022 -23.533 1.00 55.54 H new ATOM 0 HB2 PHE A 23 -22.461 -21.729 -25.970 1.00 2.34 H new ATOM 0 HB3 PHE A 23 -21.039 -20.705 -25.982 1.00 2.34 H new ATOM 0 HD1 PHE A 23 -22.240 -24.052 -26.178 1.00 40.43 H new ATOM 0 HD2 PHE A 23 -18.837 -21.737 -25.086 1.00 72.35 H new ATOM 0 HE1 PHE A 23 -20.819 -26.044 -26.388 1.00 72.12 H new ATOM 0 HE2 PHE A 23 -17.412 -23.725 -25.295 1.00 12.52 H new ATOM 0 HZ PHE A 23 -18.401 -25.885 -25.946 1.00 32.41 H new ATOM 367 N GLU A 24 -23.595 -19.923 -23.091 1.00 65.11 N ATOM 368 CA GLU A 24 -24.403 -18.753 -22.810 1.00 64.42 C ATOM 369 C GLU A 24 -24.094 -18.247 -21.408 1.00 14.31 C ATOM 370 O GLU A 24 -24.552 -17.180 -21.002 1.00 53.14 O ATOM 371 CB GLU A 24 -25.887 -19.097 -22.941 1.00 33.53 C ATOM 372 CG GLU A 24 -26.211 -19.886 -24.199 1.00 13.15 C ATOM 373 CD GLU A 24 -27.699 -20.021 -24.440 1.00 31.51 C ATOM 374 OE1 GLU A 24 -28.277 -19.131 -25.096 1.00 45.41 O ATOM 375 OE2 GLU A 24 -28.296 -21.021 -23.989 1.00 1.10 O ATOM 0 H GLU A 24 -23.900 -20.766 -22.605 1.00 65.11 H new ATOM 0 HA GLU A 24 -24.167 -17.968 -23.529 1.00 64.42 H new ATOM 0 HB2 GLU A 24 -26.198 -19.672 -22.069 1.00 33.53 H new ATOM 0 HB3 GLU A 24 -26.468 -18.175 -22.939 1.00 33.53 H new ATOM 0 HG2 GLU A 24 -25.751 -19.397 -25.058 1.00 13.15 H new ATOM 0 HG3 GLU A 24 -25.768 -20.879 -24.124 1.00 13.15 H new ATOM 382 N THR A 25 -23.307 -19.031 -20.677 1.00 2.24 N ATOM 383 CA THR A 25 -22.890 -18.672 -19.333 1.00 60.22 C ATOM 384 C THR A 25 -21.904 -17.509 -19.378 1.00 3.23 C ATOM 385 O THR A 25 -20.829 -17.613 -19.970 1.00 44.30 O ATOM 386 CB THR A 25 -22.240 -19.875 -18.623 1.00 3.31 C ATOM 387 OG1 THR A 25 -23.107 -21.015 -18.722 1.00 40.10 O ATOM 388 CG2 THR A 25 -21.977 -19.562 -17.156 1.00 3.35 C ATOM 0 H THR A 25 -22.944 -19.928 -21.001 1.00 2.24 H new ATOM 0 HA THR A 25 -23.775 -18.371 -18.773 1.00 60.22 H new ATOM 0 HB THR A 25 -21.287 -20.090 -19.107 1.00 3.31 H new ATOM 0 HG1 THR A 25 -22.924 -21.493 -19.558 1.00 40.10 H new ATOM 0 HG21 THR A 25 -21.518 -20.426 -16.676 1.00 3.35 H new ATOM 0 HG22 THR A 25 -21.306 -18.706 -17.081 1.00 3.35 H new ATOM 0 HG23 THR A 25 -22.919 -19.329 -16.659 1.00 3.35 H new ATOM 396 N THR A 26 -22.286 -16.398 -18.770 1.00 74.04 N ATOM 397 CA THR A 26 -21.462 -15.207 -18.768 1.00 24.40 C ATOM 398 C THR A 26 -21.099 -14.819 -17.344 1.00 12.12 C ATOM 399 O THR A 26 -21.703 -15.303 -16.395 1.00 72.13 O ATOM 400 CB THR A 26 -22.160 -14.047 -19.520 1.00 2.22 C ATOM 401 OG1 THR A 26 -21.369 -12.854 -19.457 1.00 64.00 O ATOM 402 CG2 THR A 26 -23.551 -13.783 -18.969 1.00 33.40 C ATOM 0 H THR A 26 -23.169 -16.299 -18.269 1.00 74.04 H new ATOM 0 HA THR A 26 -20.536 -15.423 -19.301 1.00 24.40 H new ATOM 0 HB THR A 26 -22.262 -14.348 -20.563 1.00 2.22 H new ATOM 0 HG1 THR A 26 -21.825 -12.133 -19.939 1.00 64.00 H new ATOM 0 HG21 THR A 26 -24.011 -12.963 -19.520 1.00 33.40 H new ATOM 0 HG22 THR A 26 -24.161 -14.680 -19.076 1.00 33.40 H new ATOM 0 HG23 THR A 26 -23.480 -13.517 -17.914 1.00 33.40 H new ATOM 410 N ASP A 27 -20.094 -13.962 -17.209 1.00 75.10 N ATOM 411 CA ASP A 27 -19.526 -13.611 -15.909 1.00 22.41 C ATOM 412 C ASP A 27 -20.604 -13.165 -14.931 1.00 13.00 C ATOM 413 O ASP A 27 -20.627 -13.594 -13.773 1.00 42.35 O ATOM 414 CB ASP A 27 -18.494 -12.493 -16.066 1.00 1.53 C ATOM 415 CG ASP A 27 -17.359 -12.849 -17.004 1.00 54.51 C ATOM 416 OD1 ASP A 27 -17.520 -12.682 -18.232 1.00 14.41 O ATOM 417 OD2 ASP A 27 -16.291 -13.276 -16.521 1.00 21.43 O ATOM 0 H ASP A 27 -19.649 -13.490 -17.996 1.00 75.10 H new ATOM 0 HA ASP A 27 -19.045 -14.504 -15.510 1.00 22.41 H new ATOM 0 HB2 ASP A 27 -18.993 -11.597 -16.435 1.00 1.53 H new ATOM 0 HB3 ASP A 27 -18.083 -12.248 -15.087 1.00 1.53 H new ATOM 422 N GLU A 28 -21.504 -12.315 -15.409 1.00 0.23 N ATOM 423 CA GLU A 28 -22.568 -11.772 -14.579 1.00 44.04 C ATOM 424 C GLU A 28 -23.511 -12.861 -14.080 1.00 3.31 C ATOM 425 O GLU A 28 -23.944 -12.826 -12.928 1.00 74.13 O ATOM 426 CB GLU A 28 -23.352 -10.699 -15.345 1.00 24.43 C ATOM 427 CG GLU A 28 -23.987 -11.203 -16.631 1.00 65.01 C ATOM 428 CD GLU A 28 -24.766 -10.133 -17.364 1.00 70.32 C ATOM 429 OE1 GLU A 28 -24.173 -9.439 -18.218 1.00 43.42 O ATOM 430 OE2 GLU A 28 -25.975 -9.986 -17.102 1.00 60.33 O ATOM 0 H GLU A 28 -21.516 -11.986 -16.374 1.00 0.23 H new ATOM 0 HA GLU A 28 -22.100 -11.316 -13.706 1.00 44.04 H new ATOM 0 HB2 GLU A 28 -24.133 -10.301 -14.697 1.00 24.43 H new ATOM 0 HB3 GLU A 28 -22.682 -9.872 -15.581 1.00 24.43 H new ATOM 0 HG2 GLU A 28 -23.208 -11.591 -17.287 1.00 65.01 H new ATOM 0 HG3 GLU A 28 -24.652 -12.035 -16.400 1.00 65.01 H new ATOM 437 N SER A 29 -23.813 -13.840 -14.923 1.00 4.45 N ATOM 438 CA SER A 29 -24.730 -14.894 -14.529 1.00 14.32 C ATOM 439 C SER A 29 -23.986 -15.970 -13.756 1.00 51.42 C ATOM 440 O SER A 29 -24.548 -16.636 -12.889 1.00 11.15 O ATOM 441 CB SER A 29 -25.428 -15.484 -15.751 1.00 41.33 C ATOM 442 OG SER A 29 -24.495 -15.851 -16.749 1.00 4.41 O ATOM 0 H SER A 29 -23.441 -13.924 -15.869 1.00 4.45 H new ATOM 0 HA SER A 29 -25.495 -14.469 -13.879 1.00 14.32 H new ATOM 0 HB2 SER A 29 -26.009 -16.357 -15.454 1.00 41.33 H new ATOM 0 HB3 SER A 29 -26.131 -14.757 -16.157 1.00 41.33 H new ATOM 0 HG SER A 29 -23.585 -15.737 -16.404 1.00 4.41 H new ATOM 448 N LEU A 30 -22.703 -16.105 -14.057 1.00 74.44 N ATOM 449 CA LEU A 30 -21.851 -17.064 -13.376 1.00 63.41 C ATOM 450 C LEU A 30 -21.751 -16.676 -11.911 1.00 71.14 C ATOM 451 O LEU A 30 -22.049 -17.472 -11.021 1.00 24.33 O ATOM 452 CB LEU A 30 -20.459 -17.098 -14.033 1.00 44.15 C ATOM 453 CG LEU A 30 -19.532 -18.265 -13.642 1.00 55.31 C ATOM 454 CD1 LEU A 30 -18.962 -18.086 -12.242 1.00 51.41 C ATOM 455 CD2 LEU A 30 -20.269 -19.591 -13.749 1.00 11.41 C ATOM 0 H LEU A 30 -22.228 -15.557 -14.774 1.00 74.44 H new ATOM 0 HA LEU A 30 -22.280 -18.063 -13.453 1.00 63.41 H new ATOM 0 HB2 LEU A 30 -20.595 -17.120 -15.114 1.00 44.15 H new ATOM 0 HB3 LEU A 30 -19.949 -16.165 -13.795 1.00 44.15 H new ATOM 0 HG LEU A 30 -18.696 -18.269 -14.342 1.00 55.31 H new ATOM 0 HD11 LEU A 30 -18.314 -18.929 -12.003 1.00 51.41 H new ATOM 0 HD12 LEU A 30 -18.386 -17.161 -12.199 1.00 51.41 H new ATOM 0 HD13 LEU A 30 -19.778 -18.039 -11.520 1.00 51.41 H new ATOM 0 HD21 LEU A 30 -19.599 -20.404 -13.469 1.00 11.41 H new ATOM 0 HD22 LEU A 30 -21.130 -19.584 -13.080 1.00 11.41 H new ATOM 0 HD23 LEU A 30 -20.608 -19.737 -14.775 1.00 11.41 H new ATOM 467 N ARG A 31 -21.369 -15.432 -11.664 1.00 2.12 N ATOM 468 CA ARG A 31 -21.207 -14.968 -10.305 1.00 64.24 C ATOM 469 C ARG A 31 -22.559 -14.923 -9.602 1.00 33.33 C ATOM 470 O ARG A 31 -22.657 -15.260 -8.435 1.00 75.40 O ATOM 471 CB ARG A 31 -20.507 -13.600 -10.260 1.00 22.31 C ATOM 472 CG ARG A 31 -21.434 -12.397 -10.308 1.00 23.14 C ATOM 473 CD ARG A 31 -20.643 -11.100 -10.335 1.00 53.42 C ATOM 474 NE ARG A 31 -21.504 -9.924 -10.430 1.00 0.03 N ATOM 475 CZ ARG A 31 -21.321 -8.806 -9.727 1.00 14.23 C ATOM 476 NH1 ARG A 31 -20.372 -8.744 -8.800 1.00 30.21 N ATOM 477 NH2 ARG A 31 -22.102 -7.756 -9.939 1.00 31.31 N ATOM 0 H ARG A 31 -21.168 -14.736 -12.382 1.00 2.12 H new ATOM 0 HA ARG A 31 -20.567 -15.673 -9.775 1.00 64.24 H new ATOM 0 HB2 ARG A 31 -19.912 -13.544 -9.348 1.00 22.31 H new ATOM 0 HB3 ARG A 31 -19.813 -13.537 -11.098 1.00 22.31 H new ATOM 0 HG2 ARG A 31 -22.069 -12.458 -11.192 1.00 23.14 H new ATOM 0 HG3 ARG A 31 -22.093 -12.407 -9.440 1.00 23.14 H new ATOM 0 HD2 ARG A 31 -20.035 -11.030 -9.433 1.00 53.42 H new ATOM 0 HD3 ARG A 31 -19.957 -11.114 -11.182 1.00 53.42 H new ATOM 0 HE ARG A 31 -22.294 -9.960 -11.074 1.00 0.03 H new ATOM 0 HH11 ARG A 31 -19.778 -9.554 -8.623 1.00 30.21 H new ATOM 0 HH12 ARG A 31 -20.237 -7.886 -8.265 1.00 30.21 H new ATOM 0 HH21 ARG A 31 -22.842 -7.804 -10.639 1.00 31.31 H new ATOM 0 HH22 ARG A 31 -21.963 -6.900 -9.402 1.00 31.31 H new ATOM 491 N SER A 32 -23.609 -14.571 -10.333 1.00 40.21 N ATOM 492 CA SER A 32 -24.936 -14.448 -9.742 1.00 55.34 C ATOM 493 C SER A 32 -25.441 -15.802 -9.231 1.00 62.11 C ATOM 494 O SER A 32 -26.167 -15.867 -8.238 1.00 64.42 O ATOM 495 CB SER A 32 -25.917 -13.861 -10.763 1.00 33.21 C ATOM 496 OG SER A 32 -27.152 -13.511 -10.160 1.00 24.55 O ATOM 0 H SER A 32 -23.569 -14.366 -11.331 1.00 40.21 H new ATOM 0 HA SER A 32 -24.868 -13.772 -8.889 1.00 55.34 H new ATOM 0 HB2 SER A 32 -25.475 -12.979 -11.227 1.00 33.21 H new ATOM 0 HB3 SER A 32 -26.092 -14.586 -11.558 1.00 33.21 H new ATOM 0 HG SER A 32 -27.753 -13.139 -10.838 1.00 24.55 H new ATOM 502 N HIS A 33 -25.046 -16.880 -9.898 1.00 72.23 N ATOM 503 CA HIS A 33 -25.472 -18.215 -9.499 1.00 32.15 C ATOM 504 C HIS A 33 -24.487 -18.851 -8.522 1.00 13.32 C ATOM 505 O HIS A 33 -24.746 -19.923 -7.989 1.00 11.14 O ATOM 506 CB HIS A 33 -25.668 -19.117 -10.725 1.00 54.41 C ATOM 507 CG HIS A 33 -26.929 -18.821 -11.482 1.00 61.05 C ATOM 508 ND1 HIS A 33 -27.259 -17.735 -12.219 1.00 21.12 N flip ATOM 509 CD2 HIS A 33 -27.985 -19.702 -11.489 1.00 41.21 C flip ATOM 510 CE1 HIS A 33 -28.531 -17.939 -12.687 1.00 73.44 C flip ATOM 511 NE2 HIS A 33 -28.925 -19.132 -12.223 1.00 33.30 N flip ATOM 0 H HIS A 33 -24.434 -16.856 -10.714 1.00 72.23 H new ATOM 0 HA HIS A 33 -26.429 -18.111 -8.988 1.00 32.15 H new ATOM 0 HB2 HIS A 33 -24.815 -19.001 -11.394 1.00 54.41 H new ATOM 0 HB3 HIS A 33 -25.681 -20.158 -10.403 1.00 54.41 H new ATOM 0 HD1 HIS A 33 -26.672 -16.919 -12.393 1.00 21.12 H new ATOM 0 HD2 HIS A 33 -28.036 -20.662 -10.996 1.00 41.21 H new ATOM 0 HE1 HIS A 33 -29.104 -17.268 -13.309 1.00 73.44 H new ATOM 519 N PHE A 34 -23.360 -18.194 -8.282 1.00 31.31 N ATOM 520 CA PHE A 34 -22.389 -18.709 -7.323 1.00 5.15 C ATOM 521 C PHE A 34 -22.295 -17.832 -6.074 1.00 34.50 C ATOM 522 O PHE A 34 -21.884 -18.302 -5.016 1.00 62.44 O ATOM 523 CB PHE A 34 -21.015 -18.880 -7.971 1.00 41.43 C ATOM 524 CG PHE A 34 -20.886 -20.160 -8.750 1.00 34.24 C ATOM 525 CD1 PHE A 34 -20.354 -21.292 -8.153 1.00 14.24 C ATOM 526 CD2 PHE A 34 -21.304 -20.236 -10.067 1.00 12.43 C ATOM 527 CE1 PHE A 34 -20.238 -22.474 -8.858 1.00 40.32 C ATOM 528 CE2 PHE A 34 -21.190 -21.415 -10.779 1.00 33.32 C ATOM 529 CZ PHE A 34 -20.658 -22.536 -10.174 1.00 55.14 C ATOM 0 H PHE A 34 -23.097 -17.316 -8.730 1.00 31.31 H new ATOM 0 HA PHE A 34 -22.743 -19.689 -7.005 1.00 5.15 H new ATOM 0 HB2 PHE A 34 -20.825 -18.037 -8.635 1.00 41.43 H new ATOM 0 HB3 PHE A 34 -20.249 -18.854 -7.196 1.00 41.43 H new ATOM 0 HD1 PHE A 34 -20.026 -21.249 -7.125 1.00 14.24 H new ATOM 0 HD2 PHE A 34 -21.724 -19.363 -10.544 1.00 12.43 H new ATOM 0 HE1 PHE A 34 -19.820 -23.349 -8.382 1.00 40.32 H new ATOM 0 HE2 PHE A 34 -21.517 -21.459 -11.807 1.00 33.32 H new ATOM 0 HZ PHE A 34 -20.570 -23.459 -10.727 1.00 55.14 H new ATOM 539 N GLU A 35 -22.710 -16.571 -6.186 1.00 34.14 N ATOM 540 CA GLU A 35 -22.731 -15.657 -5.038 1.00 32.34 C ATOM 541 C GLU A 35 -23.850 -16.024 -4.064 1.00 53.24 C ATOM 542 O GLU A 35 -24.131 -15.297 -3.116 1.00 44.11 O ATOM 543 CB GLU A 35 -22.917 -14.208 -5.489 1.00 44.13 C ATOM 544 CG GLU A 35 -21.702 -13.606 -6.170 1.00 34.14 C ATOM 545 CD GLU A 35 -21.932 -12.172 -6.589 1.00 44.42 C ATOM 546 OE1 GLU A 35 -21.321 -11.266 -5.983 1.00 74.34 O ATOM 547 OE2 GLU A 35 -22.738 -11.939 -7.511 1.00 42.41 O ATOM 0 H GLU A 35 -23.037 -16.156 -7.059 1.00 34.14 H new ATOM 0 HA GLU A 35 -21.769 -15.754 -4.534 1.00 32.34 H new ATOM 0 HB2 GLU A 35 -23.764 -14.158 -6.173 1.00 44.13 H new ATOM 0 HB3 GLU A 35 -23.172 -13.599 -4.621 1.00 44.13 H new ATOM 0 HG2 GLU A 35 -20.849 -13.652 -5.493 1.00 34.14 H new ATOM 0 HG3 GLU A 35 -21.447 -14.202 -7.046 1.00 34.14 H new ATOM 554 N GLN A 36 -24.482 -17.157 -4.308 1.00 4.02 N ATOM 555 CA GLN A 36 -25.569 -17.625 -3.469 1.00 71.32 C ATOM 556 C GLN A 36 -25.041 -18.393 -2.263 1.00 32.43 C ATOM 557 O GLN A 36 -25.671 -18.420 -1.206 1.00 31.31 O ATOM 558 CB GLN A 36 -26.514 -18.495 -4.289 1.00 41.05 C ATOM 559 CG GLN A 36 -27.471 -17.683 -5.153 1.00 44.24 C ATOM 560 CD GLN A 36 -28.164 -18.498 -6.232 1.00 33.05 C ATOM 561 OE1 GLN A 36 -27.470 -19.487 -6.773 1.00 12.34 O flip ATOM 562 NE2 GLN A 36 -29.307 -18.218 -6.598 1.00 43.20 N flip ATOM 0 H GLN A 36 -24.258 -17.775 -5.088 1.00 4.02 H new ATOM 0 HA GLN A 36 -26.116 -16.760 -3.095 1.00 71.32 H new ATOM 0 HB2 GLN A 36 -25.928 -19.156 -4.928 1.00 41.05 H new ATOM 0 HB3 GLN A 36 -27.090 -19.130 -3.616 1.00 41.05 H new ATOM 0 HG2 GLN A 36 -28.227 -17.228 -4.513 1.00 44.24 H new ATOM 0 HG3 GLN A 36 -26.919 -16.869 -5.623 1.00 44.24 H new ATOM 0 HE21 GLN A 36 -29.810 -17.448 -6.156 1.00 43.20 H new ATOM 0 HE22 GLN A 36 -29.750 -18.756 -7.343 1.00 43.20 H new ATOM 571 N TRP A 37 -23.877 -19.008 -2.415 1.00 24.54 N ATOM 572 CA TRP A 37 -23.280 -19.759 -1.321 1.00 63.14 C ATOM 573 C TRP A 37 -22.060 -19.032 -0.774 1.00 12.02 C ATOM 574 O TRP A 37 -21.340 -19.562 0.072 1.00 40.52 O ATOM 575 CB TRP A 37 -22.910 -21.182 -1.763 1.00 73.32 C ATOM 576 CG TRP A 37 -24.101 -22.003 -2.172 1.00 24.13 C ATOM 577 CD1 TRP A 37 -24.807 -22.867 -1.387 1.00 74.14 C ATOM 578 CD2 TRP A 37 -24.728 -22.036 -3.460 1.00 74.52 C ATOM 579 NE1 TRP A 37 -25.836 -23.424 -2.100 1.00 22.31 N ATOM 580 CE2 TRP A 37 -25.809 -22.935 -3.375 1.00 20.33 C ATOM 581 CE3 TRP A 37 -24.486 -21.396 -4.675 1.00 72.01 C ATOM 582 CZ2 TRP A 37 -26.642 -23.207 -4.456 1.00 20.25 C ATOM 583 CZ3 TRP A 37 -25.313 -21.668 -5.745 1.00 10.12 C ATOM 584 CH2 TRP A 37 -26.381 -22.565 -5.631 1.00 74.22 C ATOM 0 H TRP A 37 -23.332 -19.002 -3.277 1.00 24.54 H new ATOM 0 HA TRP A 37 -24.020 -19.837 -0.525 1.00 63.14 H new ATOM 0 HB2 TRP A 37 -22.211 -21.126 -2.598 1.00 73.32 H new ATOM 0 HB3 TRP A 37 -22.392 -21.686 -0.947 1.00 73.32 H new ATOM 0 HD1 TRP A 37 -24.586 -23.081 -0.352 1.00 74.14 H new ATOM 0 HE1 TRP A 37 -26.513 -24.095 -1.737 1.00 22.31 H new ATOM 0 HE3 TRP A 37 -23.666 -20.700 -4.776 1.00 72.01 H new ATOM 0 HZ2 TRP A 37 -27.465 -23.901 -4.368 1.00 20.25 H new ATOM 0 HZ3 TRP A 37 -25.132 -21.178 -6.691 1.00 10.12 H new ATOM 0 HH2 TRP A 37 -27.010 -22.752 -6.489 1.00 74.22 H new ATOM 595 N GLY A 38 -21.845 -17.806 -1.242 1.00 53.14 N ATOM 596 CA GLY A 38 -20.718 -17.031 -0.755 1.00 24.12 C ATOM 597 C GLY A 38 -20.433 -15.787 -1.575 1.00 73.34 C ATOM 598 O GLY A 38 -21.180 -15.450 -2.488 1.00 73.34 O ATOM 0 H GLY A 38 -22.423 -17.340 -1.941 1.00 53.14 H new ATOM 0 HA2 GLY A 38 -20.909 -16.739 0.278 1.00 24.12 H new ATOM 0 HA3 GLY A 38 -19.830 -17.663 -0.749 1.00 24.12 H new ATOM 602 N THR A 39 -19.338 -15.117 -1.244 1.00 55.32 N ATOM 603 CA THR A 39 -18.943 -13.880 -1.905 1.00 72.34 C ATOM 604 C THR A 39 -17.819 -14.139 -2.901 1.00 12.33 C ATOM 605 O THR A 39 -16.786 -14.686 -2.536 1.00 44.54 O ATOM 606 CB THR A 39 -18.470 -12.848 -0.859 1.00 34.30 C ATOM 607 OG1 THR A 39 -19.583 -12.425 -0.056 1.00 4.12 O ATOM 608 CG2 THR A 39 -17.803 -11.642 -1.515 1.00 12.45 C ATOM 0 H THR A 39 -18.697 -15.416 -0.509 1.00 55.32 H new ATOM 0 HA THR A 39 -19.808 -13.488 -2.440 1.00 72.34 H new ATOM 0 HB THR A 39 -17.725 -13.329 -0.225 1.00 34.30 H new ATOM 0 HG1 THR A 39 -19.278 -11.771 0.608 1.00 4.12 H new ATOM 0 HG21 THR A 39 -17.484 -10.939 -0.745 1.00 12.45 H new ATOM 0 HG22 THR A 39 -16.936 -11.972 -2.087 1.00 12.45 H new ATOM 0 HG23 THR A 39 -18.512 -11.152 -2.182 1.00 12.45 H new ATOM 616 N LEU A 40 -18.012 -13.758 -4.160 1.00 34.34 N ATOM 617 CA LEU A 40 -16.984 -13.981 -5.163 1.00 42.40 C ATOM 618 C LEU A 40 -16.074 -12.773 -5.291 1.00 13.11 C ATOM 619 O LEU A 40 -16.491 -11.702 -5.741 1.00 33.34 O ATOM 620 CB LEU A 40 -17.601 -14.314 -6.518 1.00 4.41 C ATOM 621 CG LEU A 40 -18.737 -15.330 -6.474 1.00 23.42 C ATOM 622 CD1 LEU A 40 -19.081 -15.806 -7.867 1.00 33.23 C ATOM 623 CD2 LEU A 40 -18.398 -16.487 -5.554 1.00 2.25 C ATOM 0 H LEU A 40 -18.857 -13.301 -4.503 1.00 34.34 H new ATOM 0 HA LEU A 40 -16.388 -14.832 -4.834 1.00 42.40 H new ATOM 0 HB2 LEU A 40 -17.974 -13.393 -6.967 1.00 4.41 H new ATOM 0 HB3 LEU A 40 -16.818 -14.695 -7.174 1.00 4.41 H new ATOM 0 HG LEU A 40 -19.620 -14.840 -6.064 1.00 23.42 H new ATOM 0 HD11 LEU A 40 -19.894 -16.530 -7.814 1.00 33.23 H new ATOM 0 HD12 LEU A 40 -19.391 -14.957 -8.475 1.00 33.23 H new ATOM 0 HD13 LEU A 40 -18.206 -16.275 -8.318 1.00 33.23 H new ATOM 0 HD21 LEU A 40 -19.225 -17.196 -5.541 1.00 2.25 H new ATOM 0 HD22 LEU A 40 -17.498 -16.986 -5.913 1.00 2.25 H new ATOM 0 HD23 LEU A 40 -18.227 -16.112 -4.545 1.00 2.25 H new ATOM 635 N THR A 41 -14.833 -12.955 -4.886 1.00 23.51 N ATOM 636 CA THR A 41 -13.826 -11.922 -4.999 1.00 41.12 C ATOM 637 C THR A 41 -13.257 -11.900 -6.418 1.00 21.21 C ATOM 638 O THR A 41 -12.819 -10.859 -6.914 1.00 15.11 O ATOM 639 CB THR A 41 -12.695 -12.153 -3.975 1.00 2.15 C ATOM 640 OG1 THR A 41 -12.107 -13.448 -4.174 1.00 12.32 O ATOM 641 CG2 THR A 41 -13.228 -12.057 -2.552 1.00 54.31 C ATOM 0 H THR A 41 -14.496 -13.823 -4.470 1.00 23.51 H new ATOM 0 HA THR A 41 -14.290 -10.959 -4.788 1.00 41.12 H new ATOM 0 HB THR A 41 -11.940 -11.381 -4.123 1.00 2.15 H new ATOM 0 HG1 THR A 41 -11.389 -13.585 -3.521 1.00 12.32 H new ATOM 0 HG21 THR A 41 -12.414 -12.223 -1.847 1.00 54.31 H new ATOM 0 HG22 THR A 41 -13.653 -11.067 -2.389 1.00 54.31 H new ATOM 0 HG23 THR A 41 -13.999 -12.812 -2.401 1.00 54.31 H new ATOM 649 N ASP A 42 -13.291 -13.058 -7.071 1.00 33.34 N ATOM 650 CA ASP A 42 -12.842 -13.181 -8.456 1.00 4.34 C ATOM 651 C ASP A 42 -13.729 -14.138 -9.235 1.00 12.42 C ATOM 652 O ASP A 42 -13.538 -15.356 -9.192 1.00 54.34 O ATOM 653 CB ASP A 42 -11.392 -13.662 -8.540 1.00 41.54 C ATOM 654 CG ASP A 42 -10.398 -12.526 -8.618 1.00 74.30 C ATOM 655 OD1 ASP A 42 -10.406 -11.795 -9.629 1.00 41.44 O ATOM 656 OD2 ASP A 42 -9.587 -12.377 -7.683 1.00 61.35 O ATOM 0 H ASP A 42 -13.627 -13.930 -6.661 1.00 33.34 H new ATOM 0 HA ASP A 42 -12.908 -12.186 -8.896 1.00 4.34 H new ATOM 0 HB2 ASP A 42 -11.167 -14.275 -7.667 1.00 41.54 H new ATOM 0 HB3 ASP A 42 -11.276 -14.300 -9.416 1.00 41.54 H new ATOM 661 N CYS A 43 -14.710 -13.585 -9.920 1.00 22.20 N ATOM 662 CA CYS A 43 -15.576 -14.361 -10.791 1.00 64.23 C ATOM 663 C CYS A 43 -15.231 -14.057 -12.244 1.00 20.14 C ATOM 664 O CYS A 43 -15.161 -12.891 -12.634 1.00 75.13 O ATOM 665 CB CYS A 43 -17.036 -14.016 -10.510 1.00 53.43 C ATOM 666 SG CYS A 43 -17.377 -12.240 -10.513 1.00 12.31 S ATOM 0 H CYS A 43 -14.930 -12.590 -9.890 1.00 22.20 H new ATOM 0 HA CYS A 43 -15.427 -15.424 -10.603 1.00 64.23 H new ATOM 0 HB2 CYS A 43 -17.665 -14.499 -11.258 1.00 53.43 H new ATOM 0 HB3 CYS A 43 -17.318 -14.429 -9.542 1.00 53.43 H new ATOM 0 HG CYS A 43 -16.651 -11.660 -11.422 1.00 12.31 H new ATOM 672 N VAL A 44 -15.000 -15.089 -13.042 1.00 72.13 N ATOM 673 CA VAL A 44 -14.573 -14.880 -14.417 1.00 25.31 C ATOM 674 C VAL A 44 -14.883 -16.085 -15.302 1.00 1.54 C ATOM 675 O VAL A 44 -14.588 -17.224 -14.952 1.00 51.52 O ATOM 676 CB VAL A 44 -13.060 -14.549 -14.477 1.00 24.40 C ATOM 677 CG1 VAL A 44 -12.225 -15.662 -13.857 1.00 30.32 C ATOM 678 CG2 VAL A 44 -12.619 -14.278 -15.905 1.00 40.52 C ATOM 0 H VAL A 44 -15.099 -16.066 -12.766 1.00 72.13 H new ATOM 0 HA VAL A 44 -15.139 -14.032 -14.802 1.00 25.31 H new ATOM 0 HB VAL A 44 -12.897 -13.644 -13.892 1.00 24.40 H new ATOM 0 HG11 VAL A 44 -11.169 -15.400 -13.915 1.00 30.32 H new ATOM 0 HG12 VAL A 44 -12.510 -15.792 -12.813 1.00 30.32 H new ATOM 0 HG13 VAL A 44 -12.398 -16.592 -14.399 1.00 30.32 H new ATOM 0 HG21 VAL A 44 -11.554 -14.048 -15.919 1.00 40.52 H new ATOM 0 HG22 VAL A 44 -12.809 -15.159 -16.518 1.00 40.52 H new ATOM 0 HG23 VAL A 44 -13.178 -13.432 -16.304 1.00 40.52 H new ATOM 688 N VAL A 45 -15.507 -15.824 -16.438 1.00 64.11 N ATOM 689 CA VAL A 45 -15.773 -16.856 -17.427 1.00 54.12 C ATOM 690 C VAL A 45 -14.858 -16.675 -18.631 1.00 21.45 C ATOM 691 O VAL A 45 -14.740 -15.572 -19.167 1.00 32.03 O ATOM 692 CB VAL A 45 -17.243 -16.831 -17.900 1.00 15.12 C ATOM 693 CG1 VAL A 45 -17.482 -17.874 -18.980 1.00 63.30 C ATOM 694 CG2 VAL A 45 -18.184 -17.053 -16.729 1.00 40.12 C ATOM 0 H VAL A 45 -15.842 -14.897 -16.700 1.00 64.11 H new ATOM 0 HA VAL A 45 -15.582 -17.818 -16.952 1.00 54.12 H new ATOM 0 HB VAL A 45 -17.446 -15.848 -18.325 1.00 15.12 H new ATOM 0 HG11 VAL A 45 -18.524 -17.837 -19.297 1.00 63.30 H new ATOM 0 HG12 VAL A 45 -16.836 -17.669 -19.833 1.00 63.30 H new ATOM 0 HG13 VAL A 45 -17.258 -18.865 -18.585 1.00 63.30 H new ATOM 0 HG21 VAL A 45 -19.215 -17.032 -17.082 1.00 40.12 H new ATOM 0 HG22 VAL A 45 -17.976 -18.021 -16.273 1.00 40.12 H new ATOM 0 HG23 VAL A 45 -18.037 -16.265 -15.990 1.00 40.12 H new ATOM 704 N MET A 46 -14.212 -17.751 -19.053 1.00 35.50 N ATOM 705 CA MET A 46 -13.306 -17.687 -20.190 1.00 11.34 C ATOM 706 C MET A 46 -14.103 -17.742 -21.480 1.00 54.31 C ATOM 707 O MET A 46 -15.101 -18.464 -21.564 1.00 41.21 O ATOM 708 CB MET A 46 -12.307 -18.844 -20.152 1.00 50.42 C ATOM 709 CG MET A 46 -11.559 -18.964 -18.842 1.00 3.51 C ATOM 710 SD MET A 46 -10.586 -17.504 -18.461 1.00 44.13 S ATOM 711 CE MET A 46 -9.891 -18.011 -16.897 1.00 64.14 C ATOM 0 H MET A 46 -14.297 -18.674 -18.628 1.00 35.50 H new ATOM 0 HA MET A 46 -12.752 -16.750 -20.141 1.00 11.34 H new ATOM 0 HB2 MET A 46 -12.838 -19.776 -20.343 1.00 50.42 H new ATOM 0 HB3 MET A 46 -11.587 -18.716 -20.960 1.00 50.42 H new ATOM 0 HG2 MET A 46 -12.272 -19.140 -18.037 1.00 3.51 H new ATOM 0 HG3 MET A 46 -10.902 -19.833 -18.882 1.00 3.51 H new ATOM 0 HE1 MET A 46 -9.028 -17.388 -16.664 1.00 64.14 H new ATOM 0 HE2 MET A 46 -10.640 -17.901 -16.113 1.00 64.14 H new ATOM 0 HE3 MET A 46 -9.580 -19.054 -16.958 1.00 64.14 H new ATOM 856 N ARG A 55 -15.874 -20.680 -23.167 1.00 73.41 N ATOM 857 CA ARG A 55 -14.911 -21.753 -23.320 1.00 35.55 C ATOM 858 C ARG A 55 -15.477 -23.051 -22.769 1.00 44.45 C ATOM 859 O ARG A 55 -14.840 -24.099 -22.844 1.00 34.34 O ATOM 860 CB ARG A 55 -13.621 -21.395 -22.590 1.00 4.52 C ATOM 861 CG ARG A 55 -12.814 -20.307 -23.269 1.00 32.41 C ATOM 862 CD ARG A 55 -12.083 -20.816 -24.500 1.00 65.35 C ATOM 863 NE ARG A 55 -10.922 -21.627 -24.145 1.00 3.13 N ATOM 864 CZ ARG A 55 -9.706 -21.123 -23.918 1.00 31.44 C ATOM 865 NH1 ARG A 55 -9.508 -19.807 -23.966 1.00 32.14 N ATOM 866 NH2 ARG A 55 -8.691 -21.928 -23.634 1.00 62.12 N ATOM 0 HA ARG A 55 -14.697 -21.888 -24.380 1.00 35.55 H new ATOM 0 HB2 ARG A 55 -13.865 -21.075 -21.577 1.00 4.52 H new ATOM 0 HB3 ARG A 55 -13.005 -22.290 -22.502 1.00 4.52 H new ATOM 0 HG2 ARG A 55 -13.477 -19.490 -23.554 1.00 32.41 H new ATOM 0 HG3 ARG A 55 -12.091 -19.899 -22.562 1.00 32.41 H new ATOM 0 HD2 ARG A 55 -12.766 -21.407 -25.110 1.00 65.35 H new ATOM 0 HD3 ARG A 55 -11.763 -19.970 -25.108 1.00 65.35 H new ATOM 0 HE ARG A 55 -11.047 -22.636 -24.066 1.00 3.13 H new ATOM 0 HH11 ARG A 55 -10.286 -19.182 -24.176 1.00 32.14 H new ATOM 0 HH12 ARG A 55 -8.579 -19.424 -23.792 1.00 32.14 H new ATOM 0 HH21 ARG A 55 -8.837 -22.936 -23.588 1.00 62.12 H new ATOM 0 HH22 ARG A 55 -7.764 -21.539 -23.461 1.00 62.12 H new ATOM 880 N GLY A 56 -16.681 -22.967 -22.218 1.00 30.23 N ATOM 881 CA GLY A 56 -17.306 -24.125 -21.614 1.00 30.51 C ATOM 882 C GLY A 56 -16.881 -24.305 -20.174 1.00 72.21 C ATOM 883 O GLY A 56 -17.119 -25.355 -19.573 1.00 53.11 O ATOM 0 H GLY A 56 -17.237 -22.113 -22.179 1.00 30.23 H new ATOM 0 HA2 GLY A 56 -18.390 -24.020 -21.663 1.00 30.51 H new ATOM 0 HA3 GLY A 56 -17.046 -25.017 -22.184 1.00 30.51 H new ATOM 887 N PHE A 57 -16.265 -23.268 -19.617 1.00 1.13 N ATOM 888 CA PHE A 57 -15.826 -23.286 -18.229 1.00 4.15 C ATOM 889 C PHE A 57 -15.563 -21.874 -17.721 1.00 54.11 C ATOM 890 O PHE A 57 -15.356 -20.937 -18.502 1.00 25.03 O ATOM 891 CB PHE A 57 -14.577 -24.166 -18.032 1.00 34.13 C ATOM 892 CG PHE A 57 -13.428 -23.855 -18.949 1.00 0.30 C ATOM 893 CD1 PHE A 57 -12.671 -22.704 -18.786 1.00 4.03 C ATOM 894 CD2 PHE A 57 -13.099 -24.725 -19.970 1.00 63.24 C ATOM 895 CE1 PHE A 57 -11.614 -22.427 -19.630 1.00 54.20 C ATOM 896 CE2 PHE A 57 -12.043 -24.454 -20.819 1.00 62.33 C ATOM 897 CZ PHE A 57 -11.300 -23.302 -20.650 1.00 35.23 C ATOM 0 H PHE A 57 -16.058 -22.400 -20.110 1.00 1.13 H new ATOM 0 HA PHE A 57 -16.636 -23.723 -17.645 1.00 4.15 H new ATOM 0 HB2 PHE A 57 -14.238 -24.063 -17.001 1.00 34.13 H new ATOM 0 HB3 PHE A 57 -14.861 -25.209 -18.171 1.00 34.13 H new ATOM 0 HD1 PHE A 57 -12.911 -22.016 -17.989 1.00 4.03 H new ATOM 0 HD2 PHE A 57 -13.674 -25.629 -20.107 1.00 63.24 H new ATOM 0 HE1 PHE A 57 -11.034 -21.527 -19.492 1.00 54.20 H new ATOM 0 HE2 PHE A 57 -11.799 -25.143 -21.614 1.00 62.33 H new ATOM 0 HZ PHE A 57 -10.476 -23.087 -21.314 1.00 35.23 H new ATOM 907 N GLY A 58 -15.579 -21.737 -16.409 1.00 53.04 N ATOM 908 CA GLY A 58 -15.330 -20.462 -15.779 1.00 31.11 C ATOM 909 C GLY A 58 -14.760 -20.645 -14.393 1.00 34.31 C ATOM 910 O GLY A 58 -14.603 -21.776 -13.928 1.00 34.11 O ATOM 0 H GLY A 58 -15.763 -22.500 -15.758 1.00 53.04 H new ATOM 0 HA2 GLY A 58 -14.637 -19.881 -16.387 1.00 31.11 H new ATOM 0 HA3 GLY A 58 -16.258 -19.893 -15.722 1.00 31.11 H new ATOM 914 N PHE A 59 -14.449 -19.549 -13.730 1.00 23.22 N ATOM 915 CA PHE A 59 -13.880 -19.607 -12.399 1.00 33.53 C ATOM 916 C PHE A 59 -14.643 -18.719 -11.437 1.00 5.34 C ATOM 917 O PHE A 59 -15.195 -17.685 -11.816 1.00 14.21 O ATOM 918 CB PHE A 59 -12.406 -19.210 -12.418 1.00 23.43 C ATOM 919 CG PHE A 59 -11.535 -20.201 -13.128 1.00 73.11 C ATOM 920 CD1 PHE A 59 -11.065 -21.321 -12.466 1.00 14.23 C ATOM 921 CD2 PHE A 59 -11.185 -20.013 -14.452 1.00 74.24 C ATOM 922 CE1 PHE A 59 -10.261 -22.235 -13.114 1.00 55.12 C ATOM 923 CE2 PHE A 59 -10.382 -20.925 -15.107 1.00 34.03 C ATOM 924 CZ PHE A 59 -9.920 -22.037 -14.437 1.00 14.50 C ATOM 0 H PHE A 59 -14.581 -18.605 -14.093 1.00 23.22 H new ATOM 0 HA PHE A 59 -13.961 -20.638 -12.054 1.00 33.53 H new ATOM 0 HB2 PHE A 59 -12.305 -18.237 -12.899 1.00 23.43 H new ATOM 0 HB3 PHE A 59 -12.054 -19.096 -11.393 1.00 23.43 H new ATOM 0 HD1 PHE A 59 -11.330 -21.481 -11.431 1.00 14.23 H new ATOM 0 HD2 PHE A 59 -11.544 -19.142 -14.980 1.00 74.24 H new ATOM 0 HE1 PHE A 59 -9.898 -23.105 -12.587 1.00 55.12 H new ATOM 0 HE2 PHE A 59 -10.117 -20.767 -16.142 1.00 34.03 H new ATOM 0 HZ PHE A 59 -9.292 -22.753 -14.946 1.00 14.50 H new ATOM 934 N VAL A 60 -14.644 -19.132 -10.188 1.00 50.44 N ATOM 935 CA VAL A 60 -15.380 -18.458 -9.139 1.00 70.13 C ATOM 936 C VAL A 60 -14.599 -18.532 -7.833 1.00 23.22 C ATOM 937 O VAL A 60 -14.512 -19.576 -7.196 1.00 13.22 O ATOM 938 CB VAL A 60 -16.803 -19.043 -8.991 1.00 5.04 C ATOM 939 CG1 VAL A 60 -16.809 -20.540 -9.192 1.00 34.44 C ATOM 940 CG2 VAL A 60 -17.387 -18.703 -7.646 1.00 74.51 C ATOM 0 H VAL A 60 -14.129 -19.953 -9.869 1.00 50.44 H new ATOM 0 HA VAL A 60 -15.498 -17.408 -9.408 1.00 70.13 H new ATOM 0 HB VAL A 60 -17.420 -18.591 -9.767 1.00 5.04 H new ATOM 0 HG11 VAL A 60 -17.825 -20.918 -9.081 1.00 34.44 H new ATOM 0 HG12 VAL A 60 -16.442 -20.774 -10.191 1.00 34.44 H new ATOM 0 HG13 VAL A 60 -16.164 -21.009 -8.449 1.00 34.44 H new ATOM 0 HG21 VAL A 60 -18.388 -19.126 -7.567 1.00 74.51 H new ATOM 0 HG22 VAL A 60 -16.755 -19.117 -6.860 1.00 74.51 H new ATOM 0 HG23 VAL A 60 -17.441 -17.620 -7.536 1.00 74.51 H new ATOM 950 N THR A 61 -13.977 -17.423 -7.479 1.00 71.30 N ATOM 951 CA THR A 61 -13.169 -17.351 -6.277 1.00 44.43 C ATOM 952 C THR A 61 -13.978 -16.728 -5.155 1.00 74.14 C ATOM 953 O THR A 61 -14.438 -15.596 -5.278 1.00 41.02 O ATOM 954 CB THR A 61 -11.903 -16.508 -6.520 1.00 53.31 C ATOM 955 OG1 THR A 61 -11.376 -16.798 -7.824 1.00 20.24 O ATOM 956 CG2 THR A 61 -10.844 -16.791 -5.465 1.00 71.22 C ATOM 0 H THR A 61 -14.017 -16.554 -8.012 1.00 71.30 H new ATOM 0 HA THR A 61 -12.870 -18.362 -6.002 1.00 44.43 H new ATOM 0 HB THR A 61 -12.175 -15.454 -6.456 1.00 53.31 H new ATOM 0 HG1 THR A 61 -11.929 -16.361 -8.505 1.00 20.24 H new ATOM 0 HG21 THR A 61 -9.962 -16.182 -5.662 1.00 71.22 H new ATOM 0 HG22 THR A 61 -11.239 -16.549 -4.479 1.00 71.22 H new ATOM 0 HG23 THR A 61 -10.571 -17.846 -5.497 1.00 71.22 H new ATOM 964 N TYR A 62 -14.166 -17.470 -4.080 1.00 73.23 N ATOM 965 CA TYR A 62 -14.944 -16.987 -2.953 1.00 0.32 C ATOM 966 C TYR A 62 -14.063 -16.205 -1.989 1.00 52.33 C ATOM 967 O TYR A 62 -12.844 -16.130 -2.166 1.00 33.22 O ATOM 968 CB TYR A 62 -15.609 -18.152 -2.222 1.00 5.22 C ATOM 969 CG TYR A 62 -16.797 -18.730 -2.952 1.00 2.43 C ATOM 970 CD1 TYR A 62 -18.085 -18.357 -2.604 1.00 33.15 C ATOM 971 CD2 TYR A 62 -16.637 -19.651 -3.977 1.00 33.32 C ATOM 972 CE1 TYR A 62 -19.182 -18.882 -3.255 1.00 60.00 C ATOM 973 CE2 TYR A 62 -17.729 -20.179 -4.635 1.00 33.40 C ATOM 974 CZ TYR A 62 -18.999 -19.793 -4.269 1.00 72.13 C ATOM 975 OH TYR A 62 -20.091 -20.318 -4.921 1.00 5.01 O ATOM 0 H TYR A 62 -13.790 -18.411 -3.963 1.00 73.23 H new ATOM 0 HA TYR A 62 -15.719 -16.323 -3.336 1.00 0.32 H new ATOM 0 HB2 TYR A 62 -14.872 -18.939 -2.066 1.00 5.22 H new ATOM 0 HB3 TYR A 62 -15.929 -17.815 -1.236 1.00 5.22 H new ATOM 0 HD1 TYR A 62 -18.233 -17.642 -1.808 1.00 33.15 H new ATOM 0 HD2 TYR A 62 -15.643 -19.959 -4.264 1.00 33.32 H new ATOM 0 HE1 TYR A 62 -20.179 -18.579 -2.970 1.00 60.00 H new ATOM 0 HE2 TYR A 62 -17.588 -20.892 -5.434 1.00 33.40 H new ATOM 0 HH TYR A 62 -20.722 -19.599 -5.133 1.00 5.01 H new ATOM 985 N ALA A 63 -14.683 -15.635 -0.965 1.00 34.02 N ATOM 986 CA ALA A 63 -13.963 -14.840 0.012 1.00 45.21 C ATOM 987 C ALA A 63 -13.146 -15.747 0.916 1.00 34.00 C ATOM 988 O ALA A 63 -12.008 -15.442 1.268 1.00 10.02 O ATOM 989 CB ALA A 63 -14.932 -13.999 0.828 1.00 54.44 C ATOM 0 H ALA A 63 -15.685 -15.710 -0.792 1.00 34.02 H new ATOM 0 HA ALA A 63 -13.284 -14.166 -0.510 1.00 45.21 H new ATOM 0 HB1 ALA A 63 -14.377 -13.408 1.557 1.00 54.44 H new ATOM 0 HB2 ALA A 63 -15.483 -13.332 0.165 1.00 54.44 H new ATOM 0 HB3 ALA A 63 -15.632 -14.653 1.349 1.00 54.44 H new ATOM 995 N THR A 64 -13.730 -16.882 1.260 1.00 14.52 N ATOM 996 CA THR A 64 -13.068 -17.860 2.097 1.00 63.01 C ATOM 997 C THR A 64 -13.343 -19.266 1.575 1.00 43.33 C ATOM 998 O THR A 64 -14.276 -19.478 0.794 1.00 21.03 O ATOM 999 CB THR A 64 -13.514 -17.740 3.576 1.00 75.44 C ATOM 1000 OG1 THR A 64 -12.960 -18.811 4.353 1.00 75.30 O ATOM 1001 CG2 THR A 64 -15.029 -17.747 3.697 1.00 32.31 C ATOM 0 H THR A 64 -14.670 -17.148 0.968 1.00 14.52 H new ATOM 0 HA THR A 64 -11.996 -17.664 2.058 1.00 63.01 H new ATOM 0 HB THR A 64 -13.144 -16.789 3.958 1.00 75.44 H new ATOM 0 HG1 THR A 64 -13.248 -18.722 5.285 1.00 75.30 H new ATOM 0 HG21 THR A 64 -15.311 -17.661 4.747 1.00 32.31 H new ATOM 0 HG22 THR A 64 -15.442 -16.906 3.141 1.00 32.31 H new ATOM 0 HG23 THR A 64 -15.422 -18.679 3.291 1.00 32.31 H new ATOM 1009 N VAL A 65 -12.527 -20.220 2.003 1.00 72.10 N ATOM 1010 CA VAL A 65 -12.648 -21.601 1.557 1.00 30.31 C ATOM 1011 C VAL A 65 -13.998 -22.197 1.954 1.00 34.32 C ATOM 1012 O VAL A 65 -14.542 -23.037 1.242 1.00 21.23 O ATOM 1013 CB VAL A 65 -11.508 -22.476 2.120 1.00 5.40 C ATOM 1014 CG1 VAL A 65 -10.182 -22.084 1.491 1.00 73.25 C ATOM 1015 CG2 VAL A 65 -11.428 -22.355 3.636 1.00 71.11 C ATOM 0 H VAL A 65 -11.767 -20.060 2.665 1.00 72.10 H new ATOM 0 HA VAL A 65 -12.576 -21.591 0.469 1.00 30.31 H new ATOM 0 HB VAL A 65 -11.723 -23.515 1.871 1.00 5.40 H new ATOM 0 HG11 VAL A 65 -9.387 -22.710 1.898 1.00 73.25 H new ATOM 0 HG12 VAL A 65 -10.236 -22.223 0.411 1.00 73.25 H new ATOM 0 HG13 VAL A 65 -9.969 -21.038 1.712 1.00 73.25 H new ATOM 0 HG21 VAL A 65 -10.617 -22.981 4.009 1.00 71.11 H new ATOM 0 HG22 VAL A 65 -11.240 -21.317 3.909 1.00 71.11 H new ATOM 0 HG23 VAL A 65 -12.370 -22.681 4.077 1.00 71.11 H new ATOM 1025 N GLU A 66 -14.541 -21.722 3.071 1.00 41.44 N ATOM 1026 CA GLU A 66 -15.819 -22.206 3.587 1.00 30.40 C ATOM 1027 C GLU A 66 -16.931 -22.045 2.560 1.00 13.42 C ATOM 1028 O GLU A 66 -17.796 -22.909 2.419 1.00 51.31 O ATOM 1029 CB GLU A 66 -16.184 -21.449 4.861 1.00 31.43 C ATOM 1030 CG GLU A 66 -15.266 -21.754 6.029 1.00 44.23 C ATOM 1031 CD GLU A 66 -15.384 -23.192 6.486 1.00 43.30 C ATOM 1032 OE1 GLU A 66 -16.286 -23.490 7.299 1.00 23.13 O ATOM 1033 OE2 GLU A 66 -14.577 -24.032 6.037 1.00 52.25 O ATOM 0 H GLU A 66 -14.111 -20.994 3.642 1.00 41.44 H new ATOM 0 HA GLU A 66 -15.711 -23.268 3.807 1.00 30.40 H new ATOM 0 HB2 GLU A 66 -16.158 -20.378 4.658 1.00 31.43 H new ATOM 0 HB3 GLU A 66 -17.208 -21.696 5.140 1.00 31.43 H new ATOM 0 HG2 GLU A 66 -14.235 -21.549 5.742 1.00 44.23 H new ATOM 0 HG3 GLU A 66 -15.504 -21.089 6.860 1.00 44.23 H new ATOM 1040 N GLU A 67 -16.895 -20.938 1.835 1.00 51.41 N ATOM 1041 CA GLU A 67 -17.926 -20.640 0.857 1.00 12.11 C ATOM 1042 C GLU A 67 -17.779 -21.547 -0.359 1.00 25.12 C ATOM 1043 O GLU A 67 -18.769 -21.980 -0.950 1.00 55.33 O ATOM 1044 CB GLU A 67 -17.852 -19.175 0.450 1.00 52.35 C ATOM 1045 CG GLU A 67 -17.747 -18.226 1.629 1.00 41.22 C ATOM 1046 CD GLU A 67 -17.978 -16.783 1.242 1.00 65.55 C ATOM 1047 OE1 GLU A 67 -17.205 -16.250 0.426 1.00 12.52 O ATOM 1048 OE2 GLU A 67 -18.937 -16.171 1.762 1.00 51.24 O ATOM 0 H GLU A 67 -16.162 -20.232 1.906 1.00 51.41 H new ATOM 0 HA GLU A 67 -18.903 -20.825 1.304 1.00 12.11 H new ATOM 0 HB2 GLU A 67 -16.990 -19.030 -0.201 1.00 52.35 H new ATOM 0 HB3 GLU A 67 -18.738 -18.922 -0.132 1.00 52.35 H new ATOM 0 HG2 GLU A 67 -18.474 -18.515 2.388 1.00 41.22 H new ATOM 0 HG3 GLU A 67 -16.760 -18.323 2.081 1.00 41.22 H new ATOM 1055 N VAL A 68 -16.533 -21.836 -0.719 1.00 72.43 N ATOM 1056 CA VAL A 68 -16.244 -22.794 -1.782 1.00 54.24 C ATOM 1057 C VAL A 68 -16.812 -24.160 -1.430 1.00 41.32 C ATOM 1058 O VAL A 68 -17.509 -24.782 -2.232 1.00 4.12 O ATOM 1059 CB VAL A 68 -14.725 -22.925 -2.040 1.00 43.23 C ATOM 1060 CG1 VAL A 68 -14.406 -24.173 -2.851 1.00 60.44 C ATOM 1061 CG2 VAL A 68 -14.208 -21.700 -2.764 1.00 63.31 C ATOM 0 H VAL A 68 -15.706 -21.421 -0.290 1.00 72.43 H new ATOM 0 HA VAL A 68 -16.715 -22.419 -2.691 1.00 54.24 H new ATOM 0 HB VAL A 68 -14.231 -23.010 -1.072 1.00 43.23 H new ATOM 0 HG11 VAL A 68 -13.330 -24.235 -3.015 1.00 60.44 H new ATOM 0 HG12 VAL A 68 -14.742 -25.056 -2.307 1.00 60.44 H new ATOM 0 HG13 VAL A 68 -14.917 -24.123 -3.812 1.00 60.44 H new ATOM 0 HG21 VAL A 68 -13.137 -21.806 -2.939 1.00 63.31 H new ATOM 0 HG22 VAL A 68 -14.723 -21.597 -3.719 1.00 63.31 H new ATOM 0 HG23 VAL A 68 -14.390 -20.814 -2.156 1.00 63.31 H new ATOM 1071 N ASP A 69 -16.523 -24.611 -0.216 1.00 74.04 N ATOM 1072 CA ASP A 69 -17.007 -25.899 0.255 1.00 73.42 C ATOM 1073 C ASP A 69 -18.530 -25.940 0.259 1.00 53.53 C ATOM 1074 O ASP A 69 -19.125 -26.966 -0.059 1.00 24.41 O ATOM 1075 CB ASP A 69 -16.462 -26.212 1.651 1.00 33.24 C ATOM 1076 CG ASP A 69 -14.988 -26.576 1.635 1.00 2.23 C ATOM 1077 OD1 ASP A 69 -14.148 -25.711 1.942 1.00 11.13 O ATOM 1078 OD2 ASP A 69 -14.654 -27.733 1.308 1.00 44.44 O ATOM 0 H ASP A 69 -15.954 -24.101 0.460 1.00 74.04 H new ATOM 0 HA ASP A 69 -16.644 -26.662 -0.434 1.00 73.42 H new ATOM 0 HB2 ASP A 69 -16.612 -25.347 2.298 1.00 33.24 H new ATOM 0 HB3 ASP A 69 -17.031 -27.035 2.083 1.00 33.24 H new ATOM 1083 N ALA A 70 -19.164 -24.819 0.584 1.00 63.51 N ATOM 1084 CA ALA A 70 -20.620 -24.753 0.594 1.00 44.33 C ATOM 1085 C ALA A 70 -21.174 -24.957 -0.809 1.00 51.12 C ATOM 1086 O ALA A 70 -22.123 -25.712 -1.007 1.00 3.13 O ATOM 1087 CB ALA A 70 -21.097 -23.427 1.162 1.00 11.41 C ATOM 0 H ALA A 70 -18.697 -23.950 0.842 1.00 63.51 H new ATOM 0 HA ALA A 70 -20.991 -25.553 1.234 1.00 44.33 H new ATOM 0 HB1 ALA A 70 -22.187 -23.401 1.159 1.00 11.41 H new ATOM 0 HB2 ALA A 70 -20.734 -23.317 2.184 1.00 11.41 H new ATOM 0 HB3 ALA A 70 -20.713 -22.610 0.551 1.00 11.41 H new ATOM 1093 N ALA A 71 -20.554 -24.298 -1.783 1.00 13.54 N ATOM 1094 CA ALA A 71 -20.950 -24.443 -3.178 1.00 50.44 C ATOM 1095 C ALA A 71 -20.704 -25.867 -3.656 1.00 74.23 C ATOM 1096 O ALA A 71 -21.409 -26.374 -4.530 1.00 24.03 O ATOM 1097 CB ALA A 71 -20.188 -23.461 -4.050 1.00 34.45 C ATOM 0 H ALA A 71 -19.775 -23.658 -1.631 1.00 13.54 H new ATOM 0 HA ALA A 71 -22.016 -24.227 -3.256 1.00 50.44 H new ATOM 0 HB1 ALA A 71 -20.495 -23.582 -5.089 1.00 34.45 H new ATOM 0 HB2 ALA A 71 -20.402 -22.443 -3.725 1.00 34.45 H new ATOM 0 HB3 ALA A 71 -19.118 -23.652 -3.964 1.00 34.45 H new ATOM 1103 N MET A 72 -19.700 -26.512 -3.075 1.00 12.50 N ATOM 1104 CA MET A 72 -19.400 -27.896 -3.399 1.00 21.30 C ATOM 1105 C MET A 72 -20.499 -28.813 -2.883 1.00 61.32 C ATOM 1106 O MET A 72 -20.925 -29.725 -3.575 1.00 51.42 O ATOM 1107 CB MET A 72 -18.058 -28.329 -2.812 1.00 23.20 C ATOM 1108 CG MET A 72 -16.854 -27.632 -3.415 1.00 33.40 C ATOM 1109 SD MET A 72 -15.312 -28.465 -2.997 1.00 14.23 S ATOM 1110 CE MET A 72 -14.215 -27.733 -4.199 1.00 34.03 C ATOM 0 H MET A 72 -19.082 -26.097 -2.378 1.00 12.50 H new ATOM 0 HA MET A 72 -19.342 -27.972 -4.485 1.00 21.30 H new ATOM 0 HB2 MET A 72 -18.069 -28.144 -1.738 1.00 23.20 H new ATOM 0 HB3 MET A 72 -17.946 -29.405 -2.949 1.00 23.20 H new ATOM 0 HG2 MET A 72 -16.963 -27.593 -4.499 1.00 33.40 H new ATOM 0 HG3 MET A 72 -16.817 -26.602 -3.061 1.00 33.40 H new ATOM 0 HE1 MET A 72 -13.264 -28.266 -4.196 1.00 34.03 H new ATOM 0 HE2 MET A 72 -14.665 -27.799 -5.190 1.00 34.03 H new ATOM 0 HE3 MET A 72 -14.045 -26.686 -3.947 1.00 34.03 H new ATOM 1120 N ASN A 73 -20.971 -28.558 -1.670 1.00 33.02 N ATOM 1121 CA ASN A 73 -22.069 -29.342 -1.102 1.00 14.23 C ATOM 1122 C ASN A 73 -23.355 -29.098 -1.880 1.00 34.51 C ATOM 1123 O ASN A 73 -24.318 -29.857 -1.771 1.00 45.31 O ATOM 1124 CB ASN A 73 -22.297 -28.999 0.375 1.00 12.00 C ATOM 1125 CG ASN A 73 -21.219 -29.550 1.289 1.00 43.55 C ATOM 1126 OD1 ASN A 73 -21.299 -30.692 1.745 1.00 14.33 O ATOM 1127 ND2 ASN A 73 -20.215 -28.740 1.579 1.00 4.53 N ATOM 0 H ASN A 73 -20.616 -27.821 -1.061 1.00 33.02 H new ATOM 0 HA ASN A 73 -21.791 -30.393 -1.176 1.00 14.23 H new ATOM 0 HB2 ASN A 73 -22.341 -27.916 0.487 1.00 12.00 H new ATOM 0 HB3 ASN A 73 -23.265 -29.391 0.687 1.00 12.00 H new ATOM 0 HD21 ASN A 73 -19.470 -29.054 2.201 1.00 4.53 H new ATOM 0 HD22 ASN A 73 -20.186 -27.801 1.181 1.00 4.53 H new ATOM 1134 N ALA A 74 -23.355 -28.037 -2.675 1.00 64.34 N ATOM 1135 CA ALA A 74 -24.525 -27.651 -3.442 1.00 0.13 C ATOM 1136 C ALA A 74 -24.537 -28.307 -4.827 1.00 23.22 C ATOM 1137 O ALA A 74 -25.450 -28.071 -5.621 1.00 51.43 O ATOM 1138 CB ALA A 74 -24.581 -26.136 -3.565 1.00 63.13 C ATOM 0 H ALA A 74 -22.549 -27.425 -2.804 1.00 64.34 H new ATOM 0 HA ALA A 74 -25.410 -28.002 -2.912 1.00 0.13 H new ATOM 0 HB1 ALA A 74 -25.461 -25.850 -4.142 1.00 63.13 H new ATOM 0 HB2 ALA A 74 -24.638 -25.692 -2.571 1.00 63.13 H new ATOM 0 HB3 ALA A 74 -23.684 -25.779 -4.071 1.00 63.13 H new ATOM 1144 N ARG A 75 -23.532 -29.130 -5.119 1.00 53.40 N ATOM 1145 CA ARG A 75 -23.486 -29.837 -6.390 1.00 51.22 C ATOM 1146 C ARG A 75 -24.353 -31.097 -6.323 1.00 32.14 C ATOM 1147 O ARG A 75 -24.584 -31.633 -5.237 1.00 35.21 O ATOM 1148 CB ARG A 75 -22.042 -30.184 -6.785 1.00 61.53 C ATOM 1149 CG ARG A 75 -21.393 -31.262 -5.933 1.00 50.02 C ATOM 1150 CD ARG A 75 -19.914 -31.397 -6.251 1.00 61.42 C ATOM 1151 NE ARG A 75 -19.227 -32.296 -5.325 1.00 10.24 N ATOM 1152 CZ ARG A 75 -17.914 -32.537 -5.354 1.00 61.34 C ATOM 1153 NH1 ARG A 75 -17.137 -31.918 -6.239 1.00 1.52 N ATOM 1154 NH2 ARG A 75 -17.377 -33.391 -4.491 1.00 44.23 N ATOM 0 H ARG A 75 -22.747 -29.321 -4.497 1.00 53.40 H new ATOM 0 HA ARG A 75 -23.885 -29.179 -7.162 1.00 51.22 H new ATOM 0 HB2 ARG A 75 -22.032 -30.507 -7.826 1.00 61.53 H new ATOM 0 HB3 ARG A 75 -21.436 -29.280 -6.726 1.00 61.53 H new ATOM 0 HG2 ARG A 75 -21.520 -31.021 -4.878 1.00 50.02 H new ATOM 0 HG3 ARG A 75 -21.893 -32.215 -6.105 1.00 50.02 H new ATOM 0 HD2 ARG A 75 -19.796 -31.768 -7.269 1.00 61.42 H new ATOM 0 HD3 ARG A 75 -19.445 -30.414 -6.214 1.00 61.42 H new ATOM 0 HE ARG A 75 -19.785 -32.768 -4.613 1.00 10.24 H new ATOM 0 HH11 ARG A 75 -17.544 -31.256 -6.900 1.00 1.52 H new ATOM 0 HH12 ARG A 75 -16.135 -32.106 -6.257 1.00 1.52 H new ATOM 0 HH21 ARG A 75 -17.967 -33.863 -3.806 1.00 44.23 H new ATOM 0 HH22 ARG A 75 -16.374 -33.575 -4.513 1.00 44.23 H new ATOM 1168 N PRO A 76 -24.864 -31.578 -7.474 1.00 30.33 N ATOM 1169 CA PRO A 76 -24.618 -30.967 -8.787 1.00 75.44 C ATOM 1170 C PRO A 76 -25.097 -29.522 -8.862 1.00 51.14 C ATOM 1171 O PRO A 76 -26.236 -29.205 -8.508 1.00 24.41 O ATOM 1172 CB PRO A 76 -25.409 -31.847 -9.762 1.00 62.55 C ATOM 1173 CG PRO A 76 -25.633 -33.128 -9.034 1.00 14.00 C ATOM 1174 CD PRO A 76 -25.723 -32.766 -7.580 1.00 31.24 C ATOM 0 HA PRO A 76 -23.552 -30.922 -9.010 1.00 75.44 H new ATOM 0 HB2 PRO A 76 -26.354 -31.379 -10.037 1.00 62.55 H new ATOM 0 HB3 PRO A 76 -24.853 -32.010 -10.685 1.00 62.55 H new ATOM 0 HG2 PRO A 76 -26.548 -33.615 -9.372 1.00 14.00 H new ATOM 0 HG3 PRO A 76 -24.816 -33.827 -9.213 1.00 14.00 H new ATOM 0 HD2 PRO A 76 -26.749 -32.549 -7.282 1.00 31.24 H new ATOM 0 HD3 PRO A 76 -25.370 -33.576 -6.941 1.00 31.24 H new ATOM 1182 N HIS A 77 -24.201 -28.652 -9.301 1.00 54.41 N ATOM 1183 CA HIS A 77 -24.469 -27.224 -9.323 1.00 40.14 C ATOM 1184 C HIS A 77 -25.305 -26.860 -10.546 1.00 53.11 C ATOM 1185 O HIS A 77 -25.421 -27.646 -11.488 1.00 54.34 O ATOM 1186 CB HIS A 77 -23.152 -26.443 -9.322 1.00 52.13 C ATOM 1187 CG HIS A 77 -23.271 -25.061 -8.759 1.00 61.11 C ATOM 1188 ND1 HIS A 77 -23.805 -24.032 -9.492 1.00 44.11 N ATOM 1189 CD2 HIS A 77 -22.914 -24.598 -7.538 1.00 62.34 C ATOM 1190 CE1 HIS A 77 -23.766 -22.971 -8.710 1.00 33.03 C ATOM 1191 NE2 HIS A 77 -23.233 -23.264 -7.513 1.00 31.05 N ATOM 0 H HIS A 77 -23.278 -28.912 -9.648 1.00 54.41 H new ATOM 0 HA HIS A 77 -25.034 -26.958 -8.429 1.00 40.14 H new ATOM 0 HB2 HIS A 77 -22.412 -26.998 -8.746 1.00 52.13 H new ATOM 0 HB3 HIS A 77 -22.778 -26.378 -10.344 1.00 52.13 H new ATOM 0 HD2 HIS A 77 -22.465 -25.168 -6.738 1.00 62.34 H new ATOM 0 HE1 HIS A 77 -24.118 -21.991 -8.996 1.00 33.03 H new ATOM 0 HE2 HIS A 77 -23.092 -22.619 -6.735 1.00 31.05 H new ATOM 1199 N LYS A 78 -25.861 -25.662 -10.535 1.00 1.15 N ATOM 1200 CA LYS A 78 -26.772 -25.231 -11.577 1.00 64.04 C ATOM 1201 C LYS A 78 -26.553 -23.756 -11.897 1.00 30.44 C ATOM 1202 O LYS A 78 -26.849 -22.884 -11.078 1.00 71.13 O ATOM 1203 CB LYS A 78 -28.220 -25.458 -11.130 1.00 53.04 C ATOM 1204 CG LYS A 78 -29.262 -25.073 -12.171 1.00 32.51 C ATOM 1205 CD LYS A 78 -29.160 -25.941 -13.416 1.00 14.33 C ATOM 1206 CE LYS A 78 -29.463 -27.401 -13.111 1.00 61.22 C ATOM 1207 NZ LYS A 78 -30.861 -27.599 -12.642 1.00 23.35 N ATOM 0 H LYS A 78 -25.695 -24.966 -9.809 1.00 1.15 H new ATOM 0 HA LYS A 78 -26.578 -25.817 -12.476 1.00 64.04 H new ATOM 0 HB2 LYS A 78 -28.349 -26.510 -10.875 1.00 53.04 H new ATOM 0 HB3 LYS A 78 -28.402 -24.885 -10.221 1.00 53.04 H new ATOM 0 HG2 LYS A 78 -30.259 -25.169 -11.741 1.00 32.51 H new ATOM 0 HG3 LYS A 78 -29.133 -24.026 -12.446 1.00 32.51 H new ATOM 0 HD2 LYS A 78 -29.855 -25.576 -14.172 1.00 14.33 H new ATOM 0 HD3 LYS A 78 -28.158 -25.858 -13.837 1.00 14.33 H new ATOM 0 HE2 LYS A 78 -29.294 -28.000 -14.006 1.00 61.22 H new ATOM 0 HE3 LYS A 78 -28.772 -27.762 -12.350 1.00 61.22 H new ATOM 0 HZ1 LYS A 78 -31.086 -28.614 -12.641 1.00 23.35 H new ATOM 0 HZ2 LYS A 78 -30.961 -27.221 -11.678 1.00 23.35 H new ATOM 0 HZ3 LYS A 78 -31.515 -27.100 -13.279 1.00 23.35 H new ATOM 1221 N VAL A 79 -26.023 -23.484 -13.079 1.00 34.24 N ATOM 1222 CA VAL A 79 -25.848 -22.115 -13.544 1.00 14.35 C ATOM 1223 C VAL A 79 -26.188 -22.030 -15.027 1.00 74.13 C ATOM 1224 O VAL A 79 -25.721 -22.846 -15.823 1.00 53.33 O ATOM 1225 CB VAL A 79 -24.415 -21.584 -13.275 1.00 75.11 C ATOM 1226 CG1 VAL A 79 -23.368 -22.611 -13.658 1.00 62.03 C ATOM 1227 CG2 VAL A 79 -24.168 -20.269 -14.007 1.00 35.01 C ATOM 0 H VAL A 79 -25.705 -24.196 -13.737 1.00 34.24 H new ATOM 0 HA VAL A 79 -26.529 -21.478 -12.980 1.00 14.35 H new ATOM 0 HB VAL A 79 -24.331 -21.398 -12.204 1.00 75.11 H new ATOM 0 HG11 VAL A 79 -22.374 -22.210 -13.458 1.00 62.03 H new ATOM 0 HG12 VAL A 79 -23.517 -23.518 -13.073 1.00 62.03 H new ATOM 0 HG13 VAL A 79 -23.458 -22.844 -14.719 1.00 62.03 H new ATOM 0 HG21 VAL A 79 -23.156 -19.922 -13.799 1.00 35.01 H new ATOM 0 HG22 VAL A 79 -24.286 -20.422 -15.080 1.00 35.01 H new ATOM 0 HG23 VAL A 79 -24.885 -19.522 -13.666 1.00 35.01 H new ATOM 1237 N ASP A 80 -27.050 -21.071 -15.377 1.00 34.21 N ATOM 1238 CA ASP A 80 -27.527 -20.893 -16.754 1.00 51.31 C ATOM 1239 C ASP A 80 -28.405 -22.079 -17.166 1.00 33.13 C ATOM 1240 O ASP A 80 -28.664 -22.310 -18.345 1.00 62.24 O ATOM 1241 CB ASP A 80 -26.344 -20.723 -17.725 1.00 63.25 C ATOM 1242 CG ASP A 80 -26.777 -20.315 -19.119 1.00 30.20 C ATOM 1243 OD1 ASP A 80 -27.324 -19.202 -19.271 1.00 71.21 O ATOM 1244 OD2 ASP A 80 -26.565 -21.096 -20.068 1.00 3.24 O ATOM 0 H ASP A 80 -27.437 -20.397 -14.716 1.00 34.21 H new ATOM 0 HA ASP A 80 -28.129 -19.985 -16.798 1.00 51.31 H new ATOM 0 HB2 ASP A 80 -25.660 -19.972 -17.328 1.00 63.25 H new ATOM 0 HB3 ASP A 80 -25.790 -21.660 -17.782 1.00 63.25 H new ATOM 1249 N GLY A 81 -28.888 -22.818 -16.173 1.00 23.45 N ATOM 1250 CA GLY A 81 -29.661 -24.016 -16.441 1.00 10.04 C ATOM 1251 C GLY A 81 -28.769 -25.198 -16.757 1.00 42.13 C ATOM 1252 O GLY A 81 -29.244 -26.278 -17.109 1.00 31.31 O ATOM 0 H GLY A 81 -28.757 -22.607 -15.184 1.00 23.45 H new ATOM 0 HA2 GLY A 81 -30.282 -24.250 -15.576 1.00 10.04 H new ATOM 0 HA3 GLY A 81 -30.335 -23.835 -17.278 1.00 10.04 H new ATOM 1256 N ARG A 82 -27.473 -24.990 -16.609 1.00 3.20 N ATOM 1257 CA ARG A 82 -26.488 -26.000 -16.931 1.00 41.42 C ATOM 1258 C ARG A 82 -25.952 -26.634 -15.656 1.00 14.21 C ATOM 1259 O ARG A 82 -25.532 -25.932 -14.735 1.00 13.11 O ATOM 1260 CB ARG A 82 -25.349 -25.361 -17.734 1.00 52.14 C ATOM 1261 CG ARG A 82 -24.276 -26.334 -18.190 1.00 43.20 C ATOM 1262 CD ARG A 82 -24.865 -27.475 -18.998 1.00 22.22 C ATOM 1263 NE ARG A 82 -25.572 -27.002 -20.187 1.00 55.54 N ATOM 1264 CZ ARG A 82 -26.364 -27.772 -20.933 1.00 75.12 C ATOM 1265 NH1 ARG A 82 -26.547 -29.047 -20.605 1.00 24.10 N ATOM 1266 NH2 ARG A 82 -26.975 -27.267 -21.999 1.00 61.02 N ATOM 0 H ARG A 82 -27.077 -24.116 -16.262 1.00 3.20 H new ATOM 0 HA ARG A 82 -26.952 -26.782 -17.532 1.00 41.42 H new ATOM 0 HB2 ARG A 82 -25.771 -24.869 -18.610 1.00 52.14 H new ATOM 0 HB3 ARG A 82 -24.883 -24.585 -17.126 1.00 52.14 H new ATOM 0 HG2 ARG A 82 -23.536 -25.805 -18.791 1.00 43.20 H new ATOM 0 HG3 ARG A 82 -23.754 -26.734 -17.321 1.00 43.20 H new ATOM 0 HD2 ARG A 82 -24.068 -28.155 -19.298 1.00 22.22 H new ATOM 0 HD3 ARG A 82 -25.551 -28.045 -18.372 1.00 22.22 H new ATOM 0 HE ARG A 82 -25.452 -26.027 -20.461 1.00 55.54 H new ATOM 0 HH11 ARG A 82 -26.082 -29.434 -19.784 1.00 24.10 H new ATOM 0 HH12 ARG A 82 -27.153 -29.638 -21.174 1.00 24.10 H new ATOM 0 HH21 ARG A 82 -26.839 -26.287 -22.249 1.00 61.02 H new ATOM 0 HH22 ARG A 82 -27.580 -27.859 -22.568 1.00 61.02 H new ATOM 1280 N VAL A 83 -25.995 -27.958 -15.594 1.00 10.44 N ATOM 1281 CA VAL A 83 -25.442 -28.679 -14.459 1.00 45.02 C ATOM 1282 C VAL A 83 -23.926 -28.734 -14.576 1.00 72.11 C ATOM 1283 O VAL A 83 -23.381 -29.438 -15.427 1.00 74.14 O ATOM 1284 CB VAL A 83 -25.999 -30.113 -14.356 1.00 62.22 C ATOM 1285 CG1 VAL A 83 -25.390 -30.840 -13.168 1.00 30.13 C ATOM 1286 CG2 VAL A 83 -27.514 -30.102 -14.253 1.00 43.11 C ATOM 0 H VAL A 83 -26.406 -28.552 -16.314 1.00 10.44 H new ATOM 0 HA VAL A 83 -25.733 -28.142 -13.556 1.00 45.02 H new ATOM 0 HB VAL A 83 -25.725 -30.647 -15.266 1.00 62.22 H new ATOM 0 HG11 VAL A 83 -25.796 -31.850 -13.113 1.00 30.13 H new ATOM 0 HG12 VAL A 83 -24.308 -30.890 -13.288 1.00 30.13 H new ATOM 0 HG13 VAL A 83 -25.629 -30.302 -12.251 1.00 30.13 H new ATOM 0 HG21 VAL A 83 -27.881 -31.126 -14.182 1.00 43.11 H new ATOM 0 HG22 VAL A 83 -27.814 -29.546 -13.365 1.00 43.11 H new ATOM 0 HG23 VAL A 83 -27.935 -29.626 -15.139 1.00 43.11 H new ATOM 1296 N VAL A 84 -23.251 -27.978 -13.733 1.00 42.35 N ATOM 1297 CA VAL A 84 -21.805 -27.880 -13.798 1.00 44.45 C ATOM 1298 C VAL A 84 -21.155 -28.641 -12.658 1.00 3.13 C ATOM 1299 O VAL A 84 -21.836 -29.137 -11.755 1.00 12.14 O ATOM 1300 CB VAL A 84 -21.338 -26.412 -13.758 1.00 1.22 C ATOM 1301 CG1 VAL A 84 -21.893 -25.648 -14.947 1.00 32.11 C ATOM 1302 CG2 VAL A 84 -21.754 -25.746 -12.454 1.00 71.15 C ATOM 0 H VAL A 84 -23.681 -27.422 -12.994 1.00 42.35 H new ATOM 0 HA VAL A 84 -21.499 -28.322 -14.746 1.00 44.45 H new ATOM 0 HB VAL A 84 -20.249 -26.398 -13.813 1.00 1.22 H new ATOM 0 HG11 VAL A 84 -21.554 -24.613 -14.905 1.00 32.11 H new ATOM 0 HG12 VAL A 84 -21.541 -26.107 -15.871 1.00 32.11 H new ATOM 0 HG13 VAL A 84 -22.982 -25.675 -14.920 1.00 32.11 H new ATOM 0 HG21 VAL A 84 -21.413 -24.711 -12.449 1.00 71.15 H new ATOM 0 HG22 VAL A 84 -22.840 -25.771 -12.363 1.00 71.15 H new ATOM 0 HG23 VAL A 84 -21.307 -26.279 -11.615 1.00 71.15 H new ATOM 1312 N GLU A 85 -19.840 -28.731 -12.702 1.00 61.01 N ATOM 1313 CA GLU A 85 -19.089 -29.412 -11.667 1.00 12.23 C ATOM 1314 C GLU A 85 -18.009 -28.493 -11.117 1.00 53.34 C ATOM 1315 O GLU A 85 -17.021 -28.206 -11.793 1.00 33.32 O ATOM 1316 CB GLU A 85 -18.470 -30.696 -12.216 1.00 72.32 C ATOM 1317 CG GLU A 85 -17.657 -31.465 -11.192 1.00 15.03 C ATOM 1318 CD GLU A 85 -17.126 -32.766 -11.742 1.00 43.51 C ATOM 1319 OE1 GLU A 85 -16.107 -32.742 -12.461 1.00 40.13 O ATOM 1320 OE2 GLU A 85 -17.728 -33.822 -11.457 1.00 21.41 O ATOM 0 H GLU A 85 -19.267 -28.338 -13.449 1.00 61.01 H new ATOM 0 HA GLU A 85 -19.768 -29.678 -10.857 1.00 12.23 H new ATOM 0 HB2 GLU A 85 -19.264 -31.339 -12.594 1.00 72.32 H new ATOM 0 HB3 GLU A 85 -17.830 -30.448 -13.063 1.00 72.32 H new ATOM 0 HG2 GLU A 85 -16.824 -30.848 -10.856 1.00 15.03 H new ATOM 0 HG3 GLU A 85 -18.276 -31.668 -10.318 1.00 15.03 H new ATOM 1327 N PRO A 86 -18.207 -27.994 -9.893 1.00 34.02 N ATOM 1328 CA PRO A 86 -17.269 -27.105 -9.240 1.00 63.32 C ATOM 1329 C PRO A 86 -16.226 -27.864 -8.422 1.00 75.51 C ATOM 1330 O PRO A 86 -16.561 -28.615 -7.502 1.00 20.21 O ATOM 1331 CB PRO A 86 -18.170 -26.255 -8.336 1.00 14.13 C ATOM 1332 CG PRO A 86 -19.486 -26.978 -8.236 1.00 33.11 C ATOM 1333 CD PRO A 86 -19.373 -28.243 -9.045 1.00 23.32 C ATOM 0 HA PRO A 86 -16.687 -26.518 -9.950 1.00 63.32 H new ATOM 0 HB2 PRO A 86 -17.722 -26.129 -7.351 1.00 14.13 H new ATOM 0 HB3 PRO A 86 -18.307 -25.258 -8.754 1.00 14.13 H new ATOM 0 HG2 PRO A 86 -19.719 -27.208 -7.196 1.00 33.11 H new ATOM 0 HG3 PRO A 86 -20.296 -26.353 -8.613 1.00 33.11 H new ATOM 0 HD2 PRO A 86 -19.229 -29.116 -8.409 1.00 23.32 H new ATOM 0 HD3 PRO A 86 -20.270 -28.424 -9.637 1.00 23.32 H new ATOM 1341 N LYS A 87 -14.962 -27.673 -8.770 1.00 51.12 N ATOM 1342 CA LYS A 87 -13.865 -28.352 -8.091 1.00 1.23 C ATOM 1343 C LYS A 87 -12.808 -27.347 -7.647 1.00 1.34 C ATOM 1344 O LYS A 87 -12.752 -26.238 -8.171 1.00 12.45 O ATOM 1345 CB LYS A 87 -13.245 -29.399 -9.020 1.00 63.30 C ATOM 1346 CG LYS A 87 -14.236 -30.461 -9.472 1.00 61.22 C ATOM 1347 CD LYS A 87 -13.594 -31.488 -10.388 1.00 60.13 C ATOM 1348 CE LYS A 87 -13.062 -30.852 -11.663 1.00 20.33 C ATOM 1349 NZ LYS A 87 -12.531 -31.871 -12.605 1.00 44.32 N ATOM 0 H LYS A 87 -14.668 -27.050 -9.523 1.00 51.12 H new ATOM 0 HA LYS A 87 -14.257 -28.852 -7.205 1.00 1.23 H new ATOM 0 HB2 LYS A 87 -12.833 -28.899 -9.897 1.00 63.30 H new ATOM 0 HB3 LYS A 87 -12.413 -29.882 -8.508 1.00 63.30 H new ATOM 0 HG2 LYS A 87 -14.651 -30.964 -8.599 1.00 61.22 H new ATOM 0 HG3 LYS A 87 -15.068 -29.983 -9.990 1.00 61.22 H new ATOM 0 HD2 LYS A 87 -12.779 -31.985 -9.862 1.00 60.13 H new ATOM 0 HD3 LYS A 87 -14.325 -32.256 -10.642 1.00 60.13 H new ATOM 0 HE2 LYS A 87 -13.859 -30.288 -12.148 1.00 20.33 H new ATOM 0 HE3 LYS A 87 -12.274 -30.141 -11.414 1.00 20.33 H new ATOM 0 HZ1 LYS A 87 -12.177 -31.400 -13.462 1.00 44.32 H new ATOM 0 HZ2 LYS A 87 -11.754 -32.392 -12.151 1.00 44.32 H new ATOM 0 HZ3 LYS A 87 -13.289 -32.535 -12.862 1.00 44.32 H new ATOM 1363 N ARG A 88 -11.989 -27.728 -6.669 1.00 61.52 N ATOM 1364 CA ARG A 88 -10.920 -26.863 -6.177 1.00 13.20 C ATOM 1365 C ARG A 88 -9.969 -26.524 -7.316 1.00 32.22 C ATOM 1366 O ARG A 88 -9.437 -27.421 -7.977 1.00 70.31 O ATOM 1367 CB ARG A 88 -10.147 -27.542 -5.039 1.00 25.00 C ATOM 1368 CG ARG A 88 -9.992 -26.682 -3.789 1.00 62.55 C ATOM 1369 CD ARG A 88 -11.337 -26.436 -3.128 1.00 33.02 C ATOM 1370 NE ARG A 88 -11.237 -25.741 -1.843 1.00 45.25 N ATOM 1371 CZ ARG A 88 -12.031 -26.000 -0.798 1.00 71.53 C ATOM 1372 NH1 ARG A 88 -12.895 -27.009 -0.848 1.00 11.50 N ATOM 1373 NH2 ARG A 88 -11.946 -25.270 0.306 1.00 52.12 N ATOM 0 H ARG A 88 -12.046 -28.632 -6.201 1.00 61.52 H new ATOM 0 HA ARG A 88 -11.367 -25.947 -5.790 1.00 13.20 H new ATOM 0 HB2 ARG A 88 -10.657 -28.467 -4.769 1.00 25.00 H new ATOM 0 HB3 ARG A 88 -9.157 -27.818 -5.402 1.00 25.00 H new ATOM 0 HG2 ARG A 88 -9.321 -27.175 -3.085 1.00 62.55 H new ATOM 0 HG3 ARG A 88 -9.533 -25.729 -4.053 1.00 62.55 H new ATOM 0 HD2 ARG A 88 -11.962 -25.850 -3.802 1.00 33.02 H new ATOM 0 HD3 ARG A 88 -11.839 -27.392 -2.977 1.00 33.02 H new ATOM 0 HE ARG A 88 -10.523 -25.020 -1.739 1.00 45.25 H new ATOM 0 HH11 ARG A 88 -12.954 -27.589 -1.685 1.00 11.50 H new ATOM 0 HH12 ARG A 88 -13.499 -27.203 -0.049 1.00 11.50 H new ATOM 0 HH21 ARG A 88 -11.272 -24.506 0.362 1.00 52.12 H new ATOM 0 HH22 ARG A 88 -12.554 -25.472 1.099 1.00 52.12 H new ATOM 1387 N ALA A 89 -9.777 -25.237 -7.550 1.00 64.04 N ATOM 1388 CA ALA A 89 -8.959 -24.777 -8.656 1.00 54.54 C ATOM 1389 C ALA A 89 -7.480 -25.045 -8.412 1.00 44.43 C ATOM 1390 O ALA A 89 -7.047 -25.242 -7.277 1.00 4.32 O ATOM 1391 CB ALA A 89 -9.193 -23.296 -8.900 1.00 63.43 C ATOM 0 H ALA A 89 -10.180 -24.490 -6.985 1.00 64.04 H new ATOM 0 HA ALA A 89 -9.254 -25.338 -9.543 1.00 54.54 H new ATOM 0 HB1 ALA A 89 -8.574 -22.962 -9.732 1.00 63.43 H new ATOM 0 HB2 ALA A 89 -10.243 -23.128 -9.139 1.00 63.43 H new ATOM 0 HB3 ALA A 89 -8.930 -22.734 -8.004 1.00 63.43 H new ATOM 1397 N VAL A 90 -6.717 -25.066 -9.493 1.00 12.22 N ATOM 1398 CA VAL A 90 -5.275 -25.217 -9.421 1.00 30.34 C ATOM 1399 C VAL A 90 -4.619 -23.900 -9.806 1.00 4.31 C ATOM 1400 O VAL A 90 -5.111 -23.203 -10.680 1.00 2.01 O ATOM 1401 CB VAL A 90 -4.771 -26.334 -10.361 1.00 42.01 C ATOM 1402 CG1 VAL A 90 -3.276 -26.551 -10.189 1.00 11.34 C ATOM 1403 CG2 VAL A 90 -5.534 -27.627 -10.121 1.00 44.20 C ATOM 0 H VAL A 90 -7.080 -24.979 -10.442 1.00 12.22 H new ATOM 0 HA VAL A 90 -5.011 -25.493 -8.400 1.00 30.34 H new ATOM 0 HB VAL A 90 -4.952 -26.019 -11.389 1.00 42.01 H new ATOM 0 HG11 VAL A 90 -2.943 -27.342 -10.861 1.00 11.34 H new ATOM 0 HG12 VAL A 90 -2.745 -25.628 -10.424 1.00 11.34 H new ATOM 0 HG13 VAL A 90 -3.066 -26.838 -9.159 1.00 11.34 H new ATOM 0 HG21 VAL A 90 -5.162 -28.399 -10.794 1.00 44.20 H new ATOM 0 HG22 VAL A 90 -5.393 -27.947 -9.089 1.00 44.20 H new ATOM 0 HG23 VAL A 90 -6.595 -27.463 -10.308 1.00 44.20 H new