USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 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 Single : A 12 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.43) USER MOD Single : A 15 LYS NZ :NH3+ 135:sc= -1.92 (180deg=-2.31!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.294 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 29 SER OG : rot 121:sc= 1.63 USER MOD Single : A 32 SER OG : rot 106:sc= 1.26 USER MOD Single : A 33 HIS : no HD1:sc= -2.24! K(o=-2.2!,f=-0.82) USER MOD Single : A 36 GLN : amide:sc= 0.258 X(o=0.26,f=-0.21) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00103 USER MOD Single : A 43 CYS SG : rot 71:sc= -1.52! USER MOD Single : A 46 MET CE :methyl 168:sc= -1.23 (180deg=-1.77) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 29:sc= 0.321 USER MOD Single : A 64 THR OG1 : rot 176:sc= -0.183 USER MOD Single : A 72 MET CE :methyl -153:sc= -1.14 (180deg=-3.01!) USER MOD Single : A 73 ASN : amide:sc= 0.707 K(o=0.71,f=-0.21) USER MOD Single : A 77 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-5.6!) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.726 (180deg=-0.944) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -4.911 -18.297 -3.568 1.00 11.01 N ATOM 149 CA GLU A 11 -5.961 -18.156 -4.569 1.00 62.42 C ATOM 150 C GLU A 11 -6.408 -19.526 -5.068 1.00 73.51 C ATOM 151 O GLU A 11 -7.571 -19.722 -5.404 1.00 1.44 O ATOM 152 CB GLU A 11 -5.448 -17.321 -5.748 1.00 21.03 C ATOM 153 CG GLU A 11 -6.449 -17.166 -6.886 1.00 42.12 C ATOM 154 CD GLU A 11 -5.768 -17.055 -8.232 1.00 11.44 C ATOM 155 OE1 GLU A 11 -5.624 -18.097 -8.904 1.00 0.43 O ATOM 156 OE2 GLU A 11 -5.362 -15.941 -8.620 1.00 4.44 O ATOM 0 HA GLU A 11 -6.813 -17.653 -4.111 1.00 62.42 H new ATOM 0 HB2 GLU A 11 -5.172 -16.331 -5.385 1.00 21.03 H new ATOM 0 HB3 GLU A 11 -4.540 -17.782 -6.138 1.00 21.03 H new ATOM 0 HG2 GLU A 11 -7.126 -18.021 -6.892 1.00 42.12 H new ATOM 0 HG3 GLU A 11 -7.058 -16.279 -6.714 1.00 42.12 H new ATOM 163 N GLN A 12 -5.477 -20.473 -5.104 1.00 50.03 N ATOM 164 CA GLN A 12 -5.748 -21.805 -5.631 1.00 61.04 C ATOM 165 C GLN A 12 -6.917 -22.472 -4.914 1.00 63.15 C ATOM 166 O GLN A 12 -7.922 -22.810 -5.536 1.00 45.31 O ATOM 167 CB GLN A 12 -4.498 -22.681 -5.515 1.00 64.44 C ATOM 168 CG GLN A 12 -4.754 -24.156 -5.781 1.00 33.11 C ATOM 169 CD GLN A 12 -3.481 -24.974 -5.809 1.00 13.35 C ATOM 170 OE1 GLN A 12 -2.499 -24.642 -5.146 1.00 14.43 O ATOM 171 NE2 GLN A 12 -3.496 -26.057 -6.568 1.00 51.01 N ATOM 0 H GLN A 12 -4.522 -20.341 -4.772 1.00 50.03 H new ATOM 0 HA GLN A 12 -6.021 -21.694 -6.680 1.00 61.04 H new ATOM 0 HB2 GLN A 12 -3.747 -22.320 -6.217 1.00 64.44 H new ATOM 0 HB3 GLN A 12 -4.079 -22.569 -4.515 1.00 64.44 H new ATOM 0 HG2 GLN A 12 -5.417 -24.550 -5.011 1.00 33.11 H new ATOM 0 HG3 GLN A 12 -5.272 -24.265 -6.734 1.00 33.11 H new ATOM 0 HE21 GLN A 12 -4.332 -26.295 -7.101 1.00 51.01 H new ATOM 0 HE22 GLN A 12 -2.671 -26.655 -6.620 1.00 51.01 H new ATOM 180 N LEU A 13 -6.801 -22.626 -3.606 1.00 75.35 N ATOM 181 CA LEU A 13 -7.769 -23.408 -2.855 1.00 42.42 C ATOM 182 C LEU A 13 -9.034 -22.606 -2.561 1.00 42.11 C ATOM 183 O LEU A 13 -10.022 -23.150 -2.069 1.00 21.34 O ATOM 184 CB LEU A 13 -7.122 -23.964 -1.575 1.00 30.13 C ATOM 185 CG LEU A 13 -6.743 -22.960 -0.475 1.00 35.45 C ATOM 186 CD1 LEU A 13 -7.953 -22.548 0.354 1.00 43.22 C ATOM 187 CD2 LEU A 13 -5.677 -23.561 0.427 1.00 4.13 C ATOM 0 H LEU A 13 -6.051 -22.223 -3.044 1.00 75.35 H new ATOM 0 HA LEU A 13 -8.080 -24.254 -3.468 1.00 42.42 H new ATOM 0 HB2 LEU A 13 -7.806 -24.694 -1.142 1.00 30.13 H new ATOM 0 HB3 LEU A 13 -6.220 -24.504 -1.862 1.00 30.13 H new ATOM 0 HG LEU A 13 -6.353 -22.065 -0.960 1.00 35.45 H new ATOM 0 HD11 LEU A 13 -7.644 -21.838 1.121 1.00 43.22 H new ATOM 0 HD12 LEU A 13 -8.696 -22.082 -0.293 1.00 43.22 H new ATOM 0 HD13 LEU A 13 -8.386 -23.429 0.828 1.00 43.22 H new ATOM 0 HD21 LEU A 13 -5.412 -22.845 1.205 1.00 4.13 H new ATOM 0 HD22 LEU A 13 -6.061 -24.471 0.887 1.00 4.13 H new ATOM 0 HD23 LEU A 13 -4.792 -23.799 -0.164 1.00 4.13 H new ATOM 199 N ARG A 14 -9.003 -21.318 -2.872 1.00 45.04 N ATOM 200 CA ARG A 14 -10.167 -20.463 -2.678 1.00 32.03 C ATOM 201 C ARG A 14 -10.860 -20.191 -4.003 1.00 53.15 C ATOM 202 O ARG A 14 -11.892 -19.521 -4.054 1.00 21.23 O ATOM 203 CB ARG A 14 -9.767 -19.148 -2.014 1.00 74.33 C ATOM 204 CG ARG A 14 -9.233 -19.330 -0.607 1.00 54.34 C ATOM 205 CD ARG A 14 -9.076 -18.002 0.104 1.00 15.45 C ATOM 206 NE ARG A 14 -8.614 -18.172 1.478 1.00 74.50 N ATOM 207 CZ ARG A 14 -8.949 -17.366 2.476 1.00 35.20 C ATOM 208 NH1 ARG A 14 -9.758 -16.340 2.256 1.00 64.31 N ATOM 209 NH2 ARG A 14 -8.473 -17.592 3.692 1.00 24.10 N ATOM 0 H ARG A 14 -8.188 -20.843 -3.259 1.00 45.04 H new ATOM 0 HA ARG A 14 -10.863 -20.985 -2.022 1.00 32.03 H new ATOM 0 HB2 ARG A 14 -9.009 -18.656 -2.623 1.00 74.33 H new ATOM 0 HB3 ARG A 14 -10.632 -18.485 -1.985 1.00 74.33 H new ATOM 0 HG2 ARG A 14 -9.909 -19.970 -0.040 1.00 54.34 H new ATOM 0 HG3 ARG A 14 -8.270 -19.839 -0.645 1.00 54.34 H new ATOM 0 HD2 ARG A 14 -8.368 -17.379 -0.443 1.00 15.45 H new ATOM 0 HD3 ARG A 14 -10.030 -17.475 0.104 1.00 15.45 H new ATOM 0 HE ARG A 14 -7.997 -18.958 1.683 1.00 74.50 H new ATOM 0 HH11 ARG A 14 -10.123 -16.170 1.319 1.00 64.31 H new ATOM 0 HH12 ARG A 14 -10.016 -15.720 3.024 1.00 64.31 H new ATOM 0 HH21 ARG A 14 -7.851 -18.384 3.857 1.00 24.10 H new ATOM 0 HH22 ARG A 14 -8.728 -16.974 4.463 1.00 24.10 H new ATOM 223 N LYS A 15 -10.285 -20.716 -5.072 1.00 20.31 N ATOM 224 CA LYS A 15 -10.844 -20.550 -6.398 1.00 12.03 C ATOM 225 C LYS A 15 -11.548 -21.825 -6.831 1.00 13.15 C ATOM 226 O LYS A 15 -11.037 -22.929 -6.640 1.00 11.32 O ATOM 227 CB LYS A 15 -9.740 -20.176 -7.384 1.00 51.44 C ATOM 228 CG LYS A 15 -10.218 -19.993 -8.810 1.00 32.22 C ATOM 229 CD LYS A 15 -9.116 -19.472 -9.724 1.00 22.25 C ATOM 230 CE LYS A 15 -7.913 -20.401 -9.796 1.00 32.14 C ATOM 231 NZ LYS A 15 -7.005 -20.279 -8.626 1.00 42.12 N ATOM 0 H LYS A 15 -9.425 -21.264 -5.044 1.00 20.31 H new ATOM 0 HA LYS A 15 -11.578 -19.744 -6.380 1.00 12.03 H new ATOM 0 HB2 LYS A 15 -9.267 -19.253 -7.050 1.00 51.44 H new ATOM 0 HB3 LYS A 15 -8.974 -20.951 -7.366 1.00 51.44 H new ATOM 0 HG2 LYS A 15 -10.586 -20.945 -9.193 1.00 32.22 H new ATOM 0 HG3 LYS A 15 -11.058 -19.298 -8.824 1.00 32.22 H new ATOM 0 HD2 LYS A 15 -9.520 -19.331 -10.727 1.00 22.25 H new ATOM 0 HD3 LYS A 15 -8.791 -18.493 -9.371 1.00 22.25 H new ATOM 0 HE2 LYS A 15 -8.262 -21.431 -9.870 1.00 32.14 H new ATOM 0 HE3 LYS A 15 -7.352 -20.188 -10.706 1.00 32.14 H new ATOM 0 HZ1 LYS A 15 -6.739 -21.228 -8.293 1.00 42.12 H new ATOM 0 HZ2 LYS A 15 -6.150 -19.756 -8.903 1.00 42.12 H new ATOM 0 HZ3 LYS A 15 -7.491 -19.767 -7.862 1.00 42.12 H new ATOM 245 N LEU A 16 -12.730 -21.664 -7.391 1.00 62.32 N ATOM 246 CA LEU A 16 -13.527 -22.786 -7.838 1.00 51.11 C ATOM 247 C LEU A 16 -13.485 -22.889 -9.358 1.00 63.24 C ATOM 248 O LEU A 16 -13.714 -21.904 -10.063 1.00 5.11 O ATOM 249 CB LEU A 16 -14.967 -22.599 -7.366 1.00 34.31 C ATOM 250 CG LEU A 16 -15.735 -23.880 -7.052 1.00 2.25 C ATOM 251 CD1 LEU A 16 -14.930 -24.767 -6.121 1.00 0.21 C ATOM 252 CD2 LEU A 16 -17.075 -23.542 -6.424 1.00 63.14 C ATOM 0 H LEU A 16 -13.163 -20.754 -7.548 1.00 62.32 H new ATOM 0 HA LEU A 16 -13.123 -23.707 -7.417 1.00 51.11 H new ATOM 0 HB2 LEU A 16 -14.958 -21.975 -6.472 1.00 34.31 H new ATOM 0 HB3 LEU A 16 -15.512 -22.050 -8.133 1.00 34.31 H new ATOM 0 HG LEU A 16 -15.906 -24.421 -7.983 1.00 2.25 H new ATOM 0 HD11 LEU A 16 -15.493 -25.676 -5.908 1.00 0.21 H new ATOM 0 HD12 LEU A 16 -13.984 -25.029 -6.595 1.00 0.21 H new ATOM 0 HD13 LEU A 16 -14.734 -24.235 -5.190 1.00 0.21 H new ATOM 0 HD21 LEU A 16 -17.616 -24.462 -6.203 1.00 63.14 H new ATOM 0 HD22 LEU A 16 -16.914 -22.985 -5.501 1.00 63.14 H new ATOM 0 HD23 LEU A 16 -17.659 -22.935 -7.116 1.00 63.14 H new ATOM 264 N PHE A 17 -13.167 -24.074 -9.848 1.00 0.21 N ATOM 265 CA PHE A 17 -13.174 -24.349 -11.275 1.00 74.53 C ATOM 266 C PHE A 17 -14.561 -24.797 -11.698 1.00 42.24 C ATOM 267 O PHE A 17 -15.080 -25.792 -11.191 1.00 65.31 O ATOM 268 CB PHE A 17 -12.146 -25.430 -11.618 1.00 13.34 C ATOM 269 CG PHE A 17 -12.178 -25.874 -13.056 1.00 64.30 C ATOM 270 CD1 PHE A 17 -12.179 -27.220 -13.376 1.00 33.22 C ATOM 271 CD2 PHE A 17 -12.210 -24.946 -14.086 1.00 22.22 C ATOM 272 CE1 PHE A 17 -12.205 -27.633 -14.694 1.00 15.32 C ATOM 273 CE2 PHE A 17 -12.239 -25.353 -15.405 1.00 2.23 C ATOM 274 CZ PHE A 17 -12.235 -26.697 -15.709 1.00 72.14 C ATOM 0 H PHE A 17 -12.897 -24.871 -9.271 1.00 0.21 H new ATOM 0 HA PHE A 17 -12.908 -23.439 -11.812 1.00 74.53 H new ATOM 0 HB2 PHE A 17 -11.149 -25.055 -11.387 1.00 13.34 H new ATOM 0 HB3 PHE A 17 -12.317 -26.295 -10.978 1.00 13.34 H new ATOM 0 HD1 PHE A 17 -12.159 -27.956 -12.586 1.00 33.22 H new ATOM 0 HD2 PHE A 17 -12.212 -23.891 -13.853 1.00 22.22 H new ATOM 0 HE1 PHE A 17 -12.202 -28.687 -14.930 1.00 15.32 H new ATOM 0 HE2 PHE A 17 -12.265 -24.619 -16.197 1.00 2.23 H new ATOM 0 HZ PHE A 17 -12.255 -27.018 -16.740 1.00 72.14 H new ATOM 284 N ILE A 18 -15.165 -24.055 -12.609 1.00 2.20 N ATOM 285 CA ILE A 18 -16.513 -24.349 -13.057 1.00 63.11 C ATOM 286 C ILE A 18 -16.494 -24.813 -14.503 1.00 71.24 C ATOM 287 O ILE A 18 -16.526 -23.995 -15.417 1.00 61.52 O ATOM 288 CB ILE A 18 -17.429 -23.110 -12.952 1.00 4.20 C ATOM 289 CG1 ILE A 18 -17.180 -22.350 -11.644 1.00 43.23 C ATOM 290 CG2 ILE A 18 -18.889 -23.521 -13.064 1.00 55.51 C ATOM 291 CD1 ILE A 18 -17.339 -23.194 -10.398 1.00 42.24 C ATOM 0 H ILE A 18 -14.741 -23.241 -13.054 1.00 2.20 H new ATOM 0 HA ILE A 18 -16.905 -25.135 -12.411 1.00 63.11 H new ATOM 0 HB ILE A 18 -17.192 -22.440 -13.778 1.00 4.20 H new ATOM 0 HG12 ILE A 18 -16.172 -21.936 -11.663 1.00 43.23 H new ATOM 0 HG13 ILE A 18 -17.869 -21.507 -11.589 1.00 43.23 H new ATOM 0 HG21 ILE A 18 -19.523 -22.637 -12.988 1.00 55.51 H new ATOM 0 HG22 ILE A 18 -19.057 -24.007 -14.025 1.00 55.51 H new ATOM 0 HG23 ILE A 18 -19.135 -24.214 -12.259 1.00 55.51 H new ATOM 0 HD11 ILE A 18 -17.146 -22.582 -9.517 1.00 42.24 H new ATOM 0 HD12 ILE A 18 -18.355 -23.587 -10.352 1.00 42.24 H new ATOM 0 HD13 ILE A 18 -16.631 -24.022 -10.427 1.00 42.24 H new ATOM 303 N GLY A 19 -16.427 -26.114 -14.714 1.00 32.03 N ATOM 304 CA GLY A 19 -16.380 -26.629 -16.063 1.00 51.40 C ATOM 305 C GLY A 19 -17.669 -27.310 -16.449 1.00 71.53 C ATOM 306 O GLY A 19 -18.341 -27.903 -15.602 1.00 12.05 O ATOM 0 H GLY A 19 -16.404 -26.821 -13.979 1.00 32.03 H new ATOM 0 HA2 GLY A 19 -16.179 -25.813 -16.757 1.00 51.40 H new ATOM 0 HA3 GLY A 19 -15.555 -27.335 -16.154 1.00 51.40 H new ATOM 310 N GLY A 20 -18.027 -27.208 -17.718 1.00 0.11 N ATOM 311 CA GLY A 20 -19.213 -27.877 -18.206 1.00 4.10 C ATOM 312 C GLY A 20 -20.425 -26.978 -18.207 1.00 2.42 C ATOM 313 O GLY A 20 -21.556 -27.457 -18.176 1.00 25.41 O ATOM 0 H GLY A 20 -17.517 -26.673 -18.420 1.00 0.11 H new ATOM 0 HA2 GLY A 20 -19.032 -28.238 -19.218 1.00 4.10 H new ATOM 0 HA3 GLY A 20 -19.414 -28.751 -17.587 1.00 4.10 H new ATOM 317 N LEU A 21 -20.192 -25.675 -18.241 1.00 21.21 N ATOM 318 CA LEU A 21 -21.283 -24.716 -18.281 1.00 24.21 C ATOM 319 C LEU A 21 -21.635 -24.381 -19.724 1.00 54.15 C ATOM 320 O LEU A 21 -20.867 -24.676 -20.643 1.00 42.22 O ATOM 321 CB LEU A 21 -20.932 -23.455 -17.471 1.00 12.42 C ATOM 322 CG LEU A 21 -19.553 -22.840 -17.734 1.00 11.55 C ATOM 323 CD1 LEU A 21 -19.571 -21.933 -18.953 1.00 71.21 C ATOM 324 CD2 LEU A 21 -19.079 -22.073 -16.512 1.00 52.42 C ATOM 0 H LEU A 21 -19.261 -25.259 -18.242 1.00 21.21 H new ATOM 0 HA LEU A 21 -22.163 -25.162 -17.817 1.00 24.21 H new ATOM 0 HB2 LEU A 21 -21.689 -22.697 -17.673 1.00 12.42 H new ATOM 0 HB3 LEU A 21 -21.001 -23.699 -16.411 1.00 12.42 H new ATOM 0 HG LEU A 21 -18.857 -23.654 -17.936 1.00 11.55 H new ATOM 0 HD11 LEU A 21 -18.577 -21.514 -19.110 1.00 71.21 H new ATOM 0 HD12 LEU A 21 -19.865 -22.509 -19.831 1.00 71.21 H new ATOM 0 HD13 LEU A 21 -20.284 -21.124 -18.794 1.00 71.21 H new ATOM 0 HD21 LEU A 21 -18.098 -21.641 -16.711 1.00 52.42 H new ATOM 0 HD22 LEU A 21 -19.787 -21.276 -16.285 1.00 52.42 H new ATOM 0 HD23 LEU A 21 -19.011 -22.751 -15.661 1.00 52.42 H new ATOM 336 N SER A 22 -22.795 -23.779 -19.919 1.00 25.35 N ATOM 337 CA SER A 22 -23.295 -23.501 -21.253 1.00 1.10 C ATOM 338 C SER A 22 -22.559 -22.324 -21.883 1.00 63.34 C ATOM 339 O SER A 22 -21.898 -21.551 -21.194 1.00 32.33 O ATOM 340 CB SER A 22 -24.791 -23.202 -21.189 1.00 44.53 C ATOM 341 OG SER A 22 -25.505 -24.281 -20.609 1.00 14.40 O ATOM 0 H SER A 22 -23.411 -23.472 -19.166 1.00 25.35 H new ATOM 0 HA SER A 22 -23.122 -24.380 -21.873 1.00 1.10 H new ATOM 0 HB2 SER A 22 -24.959 -22.296 -20.606 1.00 44.53 H new ATOM 0 HB3 SER A 22 -25.169 -23.010 -22.193 1.00 44.53 H new ATOM 0 HG SER A 22 -26.460 -24.063 -20.579 1.00 14.40 H new ATOM 347 N PHE A 23 -22.694 -22.178 -23.194 1.00 31.01 N ATOM 348 CA PHE A 23 -22.089 -21.054 -23.902 1.00 33.13 C ATOM 349 C PHE A 23 -22.909 -19.797 -23.658 1.00 33.51 C ATOM 350 O PHE A 23 -22.540 -18.696 -24.068 1.00 5.24 O ATOM 351 CB PHE A 23 -21.994 -21.357 -25.398 1.00 61.41 C ATOM 352 CG PHE A 23 -21.306 -22.658 -25.686 1.00 32.22 C ATOM 353 CD1 PHE A 23 -22.038 -23.774 -26.053 1.00 52.15 C ATOM 354 CD2 PHE A 23 -19.930 -22.772 -25.569 1.00 50.33 C ATOM 355 CE1 PHE A 23 -21.414 -24.980 -26.297 1.00 44.40 C ATOM 356 CE2 PHE A 23 -19.299 -23.975 -25.815 1.00 22.41 C ATOM 357 CZ PHE A 23 -20.043 -25.081 -26.179 1.00 42.33 C ATOM 0 H PHE A 23 -23.216 -22.821 -23.789 1.00 31.01 H new ATOM 0 HA PHE A 23 -21.079 -20.894 -23.525 1.00 33.13 H new ATOM 0 HB2 PHE A 23 -22.997 -21.380 -25.824 1.00 61.41 H new ATOM 0 HB3 PHE A 23 -21.456 -20.549 -25.894 1.00 61.41 H new ATOM 0 HD1 PHE A 23 -23.111 -23.700 -26.150 1.00 52.15 H new ATOM 0 HD2 PHE A 23 -19.345 -21.911 -25.282 1.00 50.33 H new ATOM 0 HE1 PHE A 23 -21.998 -25.844 -26.580 1.00 44.40 H new ATOM 0 HE2 PHE A 23 -18.226 -24.052 -25.723 1.00 22.41 H new ATOM 0 HZ PHE A 23 -19.552 -26.024 -26.371 1.00 42.33 H new ATOM 367 N GLU A 24 -24.028 -19.990 -22.980 1.00 12.45 N ATOM 368 CA GLU A 24 -24.902 -18.905 -22.575 1.00 42.03 C ATOM 369 C GLU A 24 -24.442 -18.359 -21.234 1.00 64.31 C ATOM 370 O GLU A 24 -24.805 -17.251 -20.833 1.00 70.24 O ATOM 371 CB GLU A 24 -26.332 -19.425 -22.462 1.00 44.11 C ATOM 372 CG GLU A 24 -26.698 -20.399 -23.567 1.00 63.21 C ATOM 373 CD GLU A 24 -28.105 -20.933 -23.435 1.00 51.25 C ATOM 374 OE1 GLU A 24 -29.007 -20.399 -24.104 1.00 65.35 O ATOM 375 OE2 GLU A 24 -28.311 -21.899 -22.673 1.00 10.42 O ATOM 0 H GLU A 24 -24.357 -20.912 -22.694 1.00 12.45 H new ATOM 0 HA GLU A 24 -24.867 -18.107 -23.317 1.00 42.03 H new ATOM 0 HB2 GLU A 24 -26.459 -19.915 -21.497 1.00 44.11 H new ATOM 0 HB3 GLU A 24 -27.022 -18.582 -22.485 1.00 44.11 H new ATOM 0 HG2 GLU A 24 -26.592 -19.903 -24.532 1.00 63.21 H new ATOM 0 HG3 GLU A 24 -25.996 -21.232 -23.558 1.00 63.21 H new ATOM 382 N THR A 25 -23.635 -19.155 -20.550 1.00 61.23 N ATOM 383 CA THR A 25 -23.111 -18.791 -19.253 1.00 11.23 C ATOM 384 C THR A 25 -22.017 -17.740 -19.388 1.00 43.03 C ATOM 385 O THR A 25 -20.958 -17.989 -19.968 1.00 15.14 O ATOM 386 CB THR A 25 -22.565 -20.027 -18.520 1.00 53.31 C ATOM 387 OG1 THR A 25 -23.623 -20.979 -18.342 1.00 70.12 O ATOM 388 CG2 THR A 25 -21.984 -19.649 -17.166 1.00 15.10 C ATOM 0 H THR A 25 -23.328 -20.069 -20.882 1.00 61.23 H new ATOM 0 HA THR A 25 -23.929 -18.370 -18.668 1.00 11.23 H new ATOM 0 HB THR A 25 -21.768 -20.463 -19.122 1.00 53.31 H new ATOM 0 HG1 THR A 25 -23.550 -21.386 -17.454 1.00 70.12 H new ATOM 0 HG21 THR A 25 -21.605 -20.543 -16.670 1.00 15.10 H new ATOM 0 HG22 THR A 25 -21.169 -18.939 -17.305 1.00 15.10 H new ATOM 0 HG23 THR A 25 -22.761 -19.194 -16.551 1.00 15.10 H new ATOM 396 N THR A 26 -22.295 -16.565 -18.857 1.00 12.53 N ATOM 397 CA THR A 26 -21.358 -15.465 -18.891 1.00 64.31 C ATOM 398 C THR A 26 -20.989 -15.071 -17.467 1.00 1.42 C ATOM 399 O THR A 26 -21.584 -15.568 -16.517 1.00 1.54 O ATOM 400 CB THR A 26 -21.943 -14.263 -19.672 1.00 74.35 C ATOM 401 OG1 THR A 26 -21.043 -13.143 -19.637 1.00 33.14 O ATOM 402 CG2 THR A 26 -23.297 -13.856 -19.110 1.00 10.52 C ATOM 0 H THR A 26 -23.176 -16.349 -18.391 1.00 12.53 H new ATOM 0 HA THR A 26 -20.455 -15.781 -19.414 1.00 64.31 H new ATOM 0 HB THR A 26 -22.075 -14.575 -20.708 1.00 74.35 H new ATOM 0 HG1 THR A 26 -21.431 -12.395 -20.138 1.00 33.14 H new ATOM 0 HG21 THR A 26 -23.686 -13.010 -19.676 1.00 10.52 H new ATOM 0 HG22 THR A 26 -23.990 -14.694 -19.187 1.00 10.52 H new ATOM 0 HG23 THR A 26 -23.186 -13.572 -18.063 1.00 10.52 H new ATOM 410 N ASP A 27 -20.007 -14.191 -17.327 1.00 31.24 N ATOM 411 CA ASP A 27 -19.507 -13.769 -16.018 1.00 1.43 C ATOM 412 C ASP A 27 -20.643 -13.374 -15.083 1.00 3.31 C ATOM 413 O ASP A 27 -20.706 -13.833 -13.940 1.00 31.53 O ATOM 414 CB ASP A 27 -18.543 -12.594 -16.185 1.00 32.04 C ATOM 415 CG ASP A 27 -18.013 -12.075 -14.864 1.00 74.54 C ATOM 416 OD1 ASP A 27 -16.911 -12.492 -14.465 1.00 21.40 O ATOM 417 OD2 ASP A 27 -18.686 -11.237 -14.231 1.00 52.13 O ATOM 0 H ASP A 27 -19.533 -13.748 -18.114 1.00 31.24 H new ATOM 0 HA ASP A 27 -18.984 -14.615 -15.572 1.00 1.43 H new ATOM 0 HB2 ASP A 27 -17.706 -12.903 -16.810 1.00 32.04 H new ATOM 0 HB3 ASP A 27 -19.051 -11.785 -16.710 1.00 32.04 H new ATOM 422 N GLU A 28 -21.553 -12.552 -15.586 1.00 0.21 N ATOM 423 CA GLU A 28 -22.646 -12.044 -14.774 1.00 64.22 C ATOM 424 C GLU A 28 -23.577 -13.165 -14.324 1.00 51.54 C ATOM 425 O GLU A 28 -24.053 -13.157 -13.191 1.00 44.35 O ATOM 426 CB GLU A 28 -23.434 -10.978 -15.535 1.00 52.04 C ATOM 427 CG GLU A 28 -24.152 -11.508 -16.763 1.00 21.42 C ATOM 428 CD GLU A 28 -24.973 -10.452 -17.461 1.00 70.43 C ATOM 429 OE1 GLU A 28 -24.527 -9.955 -18.515 1.00 41.11 O ATOM 430 OE2 GLU A 28 -26.066 -10.121 -16.962 1.00 52.43 O ATOM 0 H GLU A 28 -21.555 -12.224 -16.552 1.00 0.21 H new ATOM 0 HA GLU A 28 -22.209 -11.591 -13.884 1.00 64.22 H new ATOM 0 HB2 GLU A 28 -24.166 -10.531 -14.862 1.00 52.04 H new ATOM 0 HB3 GLU A 28 -22.753 -10.183 -15.839 1.00 52.04 H new ATOM 0 HG2 GLU A 28 -23.419 -11.912 -17.461 1.00 21.42 H new ATOM 0 HG3 GLU A 28 -24.802 -12.333 -16.471 1.00 21.42 H new ATOM 437 N SER A 29 -23.822 -14.146 -15.187 1.00 13.01 N ATOM 438 CA SER A 29 -24.741 -15.215 -14.837 1.00 65.01 C ATOM 439 C SER A 29 -24.018 -16.263 -14.005 1.00 22.12 C ATOM 440 O SER A 29 -24.613 -16.906 -13.141 1.00 32.22 O ATOM 441 CB SER A 29 -25.371 -15.841 -16.090 1.00 24.20 C ATOM 442 OG SER A 29 -24.399 -16.440 -16.931 1.00 1.31 O ATOM 0 H SER A 29 -23.405 -14.221 -16.115 1.00 13.01 H new ATOM 0 HA SER A 29 -25.553 -14.795 -14.244 1.00 65.01 H new ATOM 0 HB2 SER A 29 -26.103 -16.591 -15.791 1.00 24.20 H new ATOM 0 HB3 SER A 29 -25.909 -15.074 -16.647 1.00 24.20 H new ATOM 0 HG SER A 29 -24.603 -17.392 -17.040 1.00 1.31 H new ATOM 448 N LEU A 30 -22.720 -16.390 -14.234 1.00 30.44 N ATOM 449 CA LEU A 30 -21.920 -17.385 -13.543 1.00 2.44 C ATOM 450 C LEU A 30 -21.749 -16.987 -12.084 1.00 21.34 C ATOM 451 O LEU A 30 -22.047 -17.771 -11.180 1.00 52.21 O ATOM 452 CB LEU A 30 -20.555 -17.541 -14.239 1.00 21.34 C ATOM 453 CG LEU A 30 -19.729 -18.785 -13.866 1.00 50.34 C ATOM 454 CD1 LEU A 30 -19.052 -18.621 -12.516 1.00 4.11 C ATOM 455 CD2 LEU A 30 -20.599 -20.030 -13.869 1.00 2.01 C ATOM 0 H LEU A 30 -22.199 -15.814 -14.895 1.00 30.44 H new ATOM 0 HA LEU A 30 -22.430 -18.348 -13.578 1.00 2.44 H new ATOM 0 HB2 LEU A 30 -20.721 -17.553 -15.316 1.00 21.34 H new ATOM 0 HB3 LEU A 30 -19.957 -16.657 -14.019 1.00 21.34 H new ATOM 0 HG LEU A 30 -18.951 -18.898 -14.621 1.00 50.34 H new ATOM 0 HD11 LEU A 30 -18.478 -19.518 -12.285 1.00 4.11 H new ATOM 0 HD12 LEU A 30 -18.384 -17.760 -12.546 1.00 4.11 H new ATOM 0 HD13 LEU A 30 -19.808 -18.466 -11.746 1.00 4.11 H new ATOM 0 HD21 LEU A 30 -19.994 -20.897 -13.603 1.00 2.01 H new ATOM 0 HD22 LEU A 30 -21.404 -19.913 -13.144 1.00 2.01 H new ATOM 0 HD23 LEU A 30 -21.023 -20.175 -14.862 1.00 2.01 H new ATOM 467 N ARG A 31 -21.301 -15.759 -11.848 1.00 34.22 N ATOM 468 CA ARG A 31 -21.029 -15.323 -10.491 1.00 64.44 C ATOM 469 C ARG A 31 -22.322 -15.221 -9.686 1.00 25.02 C ATOM 470 O ARG A 31 -22.352 -15.597 -8.525 1.00 62.15 O ATOM 471 CB ARG A 31 -20.262 -13.991 -10.451 1.00 74.01 C ATOM 472 CG ARG A 31 -21.144 -12.757 -10.489 1.00 1.42 C ATOM 473 CD ARG A 31 -20.352 -11.493 -10.209 1.00 61.34 C ATOM 474 NE ARG A 31 -20.271 -11.230 -8.775 1.00 23.11 N ATOM 475 CZ ARG A 31 -19.234 -10.661 -8.161 1.00 4.24 C ATOM 476 NH1 ARG A 31 -18.137 -10.344 -8.840 1.00 51.13 N ATOM 477 NH2 ARG A 31 -19.294 -10.431 -6.854 1.00 44.23 N ATOM 0 H ARG A 31 -21.122 -15.060 -12.569 1.00 34.22 H new ATOM 0 HA ARG A 31 -20.389 -16.079 -10.035 1.00 64.44 H new ATOM 0 HB2 ARG A 31 -19.656 -13.962 -9.545 1.00 74.01 H new ATOM 0 HB3 ARG A 31 -19.574 -13.957 -11.296 1.00 74.01 H new ATOM 0 HG2 ARG A 31 -21.620 -12.679 -11.467 1.00 1.42 H new ATOM 0 HG3 ARG A 31 -21.942 -12.857 -9.753 1.00 1.42 H new ATOM 0 HD2 ARG A 31 -19.348 -11.591 -10.621 1.00 61.34 H new ATOM 0 HD3 ARG A 31 -20.822 -10.647 -10.711 1.00 61.34 H new ATOM 0 HE ARG A 31 -21.068 -11.502 -8.200 1.00 23.11 H new ATOM 0 HH11 ARG A 31 -18.083 -10.536 -9.840 1.00 51.13 H new ATOM 0 HH12 ARG A 31 -17.349 -9.909 -8.361 1.00 51.13 H new ATOM 0 HH21 ARG A 31 -20.129 -10.689 -6.328 1.00 44.23 H new ATOM 0 HH22 ARG A 31 -18.505 -9.996 -6.376 1.00 44.23 H new ATOM 491 N SER A 32 -23.397 -14.754 -10.316 1.00 43.12 N ATOM 492 CA SER A 32 -24.659 -14.560 -9.612 1.00 40.22 C ATOM 493 C SER A 32 -25.196 -15.881 -9.070 1.00 51.43 C ATOM 494 O SER A 32 -25.821 -15.918 -8.008 1.00 72.33 O ATOM 495 CB SER A 32 -25.686 -13.893 -10.526 1.00 22.31 C ATOM 496 OG SER A 32 -25.241 -12.603 -10.917 1.00 32.44 O ATOM 0 H SER A 32 -23.419 -14.505 -11.305 1.00 43.12 H new ATOM 0 HA SER A 32 -24.474 -13.902 -8.763 1.00 40.22 H new ATOM 0 HB2 SER A 32 -25.851 -14.510 -11.409 1.00 22.31 H new ATOM 0 HB3 SER A 32 -26.643 -13.813 -10.010 1.00 22.31 H new ATOM 0 HG SER A 32 -24.955 -12.626 -11.854 1.00 32.44 H new ATOM 502 N HIS A 33 -24.932 -16.971 -9.780 1.00 52.34 N ATOM 503 CA HIS A 33 -25.316 -18.286 -9.298 1.00 52.21 C ATOM 504 C HIS A 33 -24.426 -18.710 -8.137 1.00 50.32 C ATOM 505 O HIS A 33 -24.910 -19.190 -7.119 1.00 43.31 O ATOM 506 CB HIS A 33 -25.264 -19.333 -10.415 1.00 51.31 C ATOM 507 CG HIS A 33 -26.484 -19.349 -11.289 1.00 11.12 C ATOM 508 ND1 HIS A 33 -27.663 -19.908 -10.860 1.00 32.23 N ATOM 509 CD2 HIS A 33 -26.656 -18.875 -12.546 1.00 31.22 C ATOM 510 CE1 HIS A 33 -28.518 -19.760 -11.855 1.00 61.14 C ATOM 511 NE2 HIS A 33 -27.954 -19.139 -12.901 1.00 33.24 N ATOM 0 H HIS A 33 -24.458 -16.969 -10.683 1.00 52.34 H new ATOM 0 HA HIS A 33 -26.347 -18.220 -8.949 1.00 52.21 H new ATOM 0 HB2 HIS A 33 -24.387 -19.146 -11.035 1.00 51.31 H new ATOM 0 HB3 HIS A 33 -25.135 -20.319 -9.970 1.00 51.31 H new ATOM 0 HD2 HIS A 33 -25.912 -18.382 -13.154 1.00 31.22 H new ATOM 0 HE1 HIS A 33 -29.544 -20.097 -11.830 1.00 61.14 H new ATOM 0 HE2 HIS A 33 -28.403 -18.908 -13.787 1.00 33.24 H new ATOM 519 N PHE A 34 -23.129 -18.503 -8.267 1.00 2.22 N ATOM 520 CA PHE A 34 -22.197 -18.965 -7.250 1.00 35.12 C ATOM 521 C PHE A 34 -22.134 -18.028 -6.047 1.00 71.11 C ATOM 522 O PHE A 34 -21.607 -18.400 -5.001 1.00 11.32 O ATOM 523 CB PHE A 34 -20.809 -19.176 -7.846 1.00 74.35 C ATOM 524 CG PHE A 34 -20.699 -20.463 -8.606 1.00 34.35 C ATOM 525 CD1 PHE A 34 -20.346 -21.632 -7.954 1.00 3.12 C ATOM 526 CD2 PHE A 34 -20.967 -20.512 -9.961 1.00 32.45 C ATOM 527 CE1 PHE A 34 -20.262 -22.826 -8.639 1.00 73.40 C ATOM 528 CE2 PHE A 34 -20.881 -21.702 -10.654 1.00 4.12 C ATOM 529 CZ PHE A 34 -20.530 -22.861 -9.992 1.00 32.34 C ATOM 0 H PHE A 34 -22.698 -18.023 -9.057 1.00 2.22 H new ATOM 0 HA PHE A 34 -22.572 -19.922 -6.886 1.00 35.12 H new ATOM 0 HB2 PHE A 34 -20.572 -18.345 -8.510 1.00 74.35 H new ATOM 0 HB3 PHE A 34 -20.069 -19.166 -7.046 1.00 74.35 H new ATOM 0 HD1 PHE A 34 -20.134 -21.609 -6.895 1.00 3.12 H new ATOM 0 HD2 PHE A 34 -21.247 -19.609 -10.483 1.00 32.45 H new ATOM 0 HE1 PHE A 34 -19.987 -23.731 -8.118 1.00 73.40 H new ATOM 0 HE2 PHE A 34 -21.088 -21.726 -11.714 1.00 4.12 H new ATOM 0 HZ PHE A 34 -20.465 -23.794 -10.532 1.00 32.34 H new ATOM 539 N GLU A 35 -22.691 -16.828 -6.181 1.00 3.03 N ATOM 540 CA GLU A 35 -22.746 -15.888 -5.065 1.00 63.23 C ATOM 541 C GLU A 35 -23.837 -16.276 -4.073 1.00 33.42 C ATOM 542 O GLU A 35 -24.081 -15.575 -3.090 1.00 24.22 O ATOM 543 CB GLU A 35 -22.978 -14.455 -5.545 1.00 5.04 C ATOM 544 CG GLU A 35 -21.752 -13.823 -6.175 1.00 42.33 C ATOM 545 CD GLU A 35 -21.900 -12.331 -6.368 1.00 42.41 C ATOM 546 OE1 GLU A 35 -21.425 -11.569 -5.501 1.00 43.34 O ATOM 547 OE2 GLU A 35 -22.470 -11.909 -7.396 1.00 44.23 O ATOM 0 H GLU A 35 -23.109 -16.484 -7.046 1.00 3.03 H new ATOM 0 HA GLU A 35 -21.778 -15.934 -4.566 1.00 63.23 H new ATOM 0 HB2 GLU A 35 -23.793 -14.450 -6.269 1.00 5.04 H new ATOM 0 HB3 GLU A 35 -23.299 -13.845 -4.701 1.00 5.04 H new ATOM 0 HG2 GLU A 35 -20.883 -14.020 -5.547 1.00 42.33 H new ATOM 0 HG3 GLU A 35 -21.561 -14.293 -7.140 1.00 42.33 H new ATOM 554 N GLN A 36 -24.490 -17.397 -4.331 1.00 52.22 N ATOM 555 CA GLN A 36 -25.546 -17.880 -3.454 1.00 45.13 C ATOM 556 C GLN A 36 -24.960 -18.588 -2.239 1.00 1.10 C ATOM 557 O GLN A 36 -25.512 -18.522 -1.143 1.00 33.01 O ATOM 558 CB GLN A 36 -26.474 -18.825 -4.206 1.00 32.14 C ATOM 559 CG GLN A 36 -27.342 -18.134 -5.243 1.00 5.15 C ATOM 560 CD GLN A 36 -28.145 -19.112 -6.078 1.00 4.03 C ATOM 561 OE1 GLN A 36 -29.287 -19.440 -5.758 1.00 43.33 O ATOM 562 NE2 GLN A 36 -27.532 -19.605 -7.139 1.00 60.11 N ATOM 0 H GLN A 36 -24.308 -17.990 -5.140 1.00 52.22 H new ATOM 0 HA GLN A 36 -26.119 -17.018 -3.112 1.00 45.13 H new ATOM 0 HB2 GLN A 36 -25.876 -19.591 -4.699 1.00 32.14 H new ATOM 0 HB3 GLN A 36 -27.117 -19.335 -3.489 1.00 32.14 H new ATOM 0 HG2 GLN A 36 -28.023 -17.446 -4.741 1.00 5.15 H new ATOM 0 HG3 GLN A 36 -26.710 -17.535 -5.899 1.00 5.15 H new ATOM 0 HE21 GLN A 36 -26.584 -19.304 -7.366 1.00 60.11 H new ATOM 0 HE22 GLN A 36 -28.006 -20.287 -7.731 1.00 60.11 H new ATOM 571 N TRP A 37 -23.834 -19.256 -2.435 1.00 35.41 N ATOM 572 CA TRP A 37 -23.203 -20.007 -1.359 1.00 11.43 C ATOM 573 C TRP A 37 -21.968 -19.280 -0.854 1.00 30.15 C ATOM 574 O TRP A 37 -21.190 -19.825 -0.070 1.00 75.30 O ATOM 575 CB TRP A 37 -22.836 -21.422 -1.825 1.00 44.12 C ATOM 576 CG TRP A 37 -24.030 -22.224 -2.253 1.00 31.13 C ATOM 577 CD1 TRP A 37 -24.744 -23.095 -1.484 1.00 41.22 C ATOM 578 CD2 TRP A 37 -24.655 -22.228 -3.544 1.00 74.41 C ATOM 579 NE1 TRP A 37 -25.777 -23.627 -2.208 1.00 0.53 N ATOM 580 CE2 TRP A 37 -25.745 -23.115 -3.476 1.00 11.21 C ATOM 581 CE3 TRP A 37 -24.404 -21.566 -4.748 1.00 71.03 C ATOM 582 CZ2 TRP A 37 -26.580 -23.358 -4.562 1.00 1.25 C ATOM 583 CZ3 TRP A 37 -25.235 -21.810 -5.824 1.00 60.10 C ATOM 584 CH2 TRP A 37 -26.311 -22.697 -5.726 1.00 33.20 C ATOM 0 H TRP A 37 -23.339 -19.294 -3.326 1.00 35.41 H new ATOM 0 HA TRP A 37 -23.917 -20.090 -0.539 1.00 11.43 H new ATOM 0 HB2 TRP A 37 -22.133 -21.355 -2.655 1.00 44.12 H new ATOM 0 HB3 TRP A 37 -22.325 -21.944 -1.016 1.00 44.12 H new ATOM 0 HD1 TRP A 37 -24.526 -23.331 -0.453 1.00 41.22 H new ATOM 0 HE1 TRP A 37 -26.461 -24.298 -1.858 1.00 0.53 H new ATOM 0 HE3 TRP A 37 -23.577 -20.877 -4.836 1.00 71.03 H new ATOM 0 HZ2 TRP A 37 -27.411 -24.044 -4.487 1.00 1.25 H new ATOM 0 HZ3 TRP A 37 -25.050 -21.305 -6.760 1.00 60.10 H new ATOM 0 HH2 TRP A 37 -26.941 -22.863 -6.587 1.00 33.20 H new ATOM 595 N GLY A 38 -21.800 -18.040 -1.293 1.00 44.44 N ATOM 596 CA GLY A 38 -20.657 -17.265 -0.859 1.00 22.44 C ATOM 597 C GLY A 38 -20.452 -15.995 -1.655 1.00 14.43 C ATOM 598 O GLY A 38 -21.264 -15.645 -2.507 1.00 65.11 O ATOM 0 H GLY A 38 -22.430 -17.561 -1.937 1.00 44.44 H new ATOM 0 HA2 GLY A 38 -20.780 -17.009 0.193 1.00 22.44 H new ATOM 0 HA3 GLY A 38 -19.761 -17.881 -0.935 1.00 22.44 H new ATOM 602 N THR A 39 -19.362 -15.306 -1.369 1.00 45.32 N ATOM 603 CA THR A 39 -19.028 -14.062 -2.036 1.00 34.33 C ATOM 604 C THR A 39 -17.838 -14.260 -2.969 1.00 51.50 C ATOM 605 O THR A 39 -16.764 -14.655 -2.530 1.00 53.40 O ATOM 606 CB THR A 39 -18.698 -12.969 -0.998 1.00 24.33 C ATOM 607 OG1 THR A 39 -19.876 -12.631 -0.250 1.00 41.31 O ATOM 608 CG2 THR A 39 -18.125 -11.726 -1.665 1.00 24.22 C ATOM 0 H THR A 39 -18.682 -15.595 -0.666 1.00 45.32 H new ATOM 0 HA THR A 39 -19.890 -13.747 -2.624 1.00 34.33 H new ATOM 0 HB THR A 39 -17.941 -13.364 -0.320 1.00 24.33 H new ATOM 0 HG1 THR A 39 -19.658 -11.938 0.408 1.00 41.31 H new ATOM 0 HG21 THR A 39 -17.903 -10.975 -0.906 1.00 24.22 H new ATOM 0 HG22 THR A 39 -17.209 -11.987 -2.196 1.00 24.22 H new ATOM 0 HG23 THR A 39 -18.852 -11.324 -2.371 1.00 24.22 H new ATOM 616 N LEU A 40 -18.026 -13.992 -4.253 1.00 25.03 N ATOM 617 CA LEU A 40 -16.953 -14.171 -5.216 1.00 72.32 C ATOM 618 C LEU A 40 -16.137 -12.898 -5.339 1.00 10.20 C ATOM 619 O LEU A 40 -16.573 -11.921 -5.950 1.00 1.30 O ATOM 620 CB LEU A 40 -17.519 -14.576 -6.573 1.00 61.21 C ATOM 621 CG LEU A 40 -18.504 -15.733 -6.508 1.00 40.41 C ATOM 622 CD1 LEU A 40 -19.188 -15.939 -7.836 1.00 33.43 C ATOM 623 CD2 LEU A 40 -17.808 -16.997 -6.052 1.00 33.31 C ATOM 0 H LEU A 40 -18.903 -13.653 -4.648 1.00 25.03 H new ATOM 0 HA LEU A 40 -16.299 -14.968 -4.864 1.00 72.32 H new ATOM 0 HB2 LEU A 40 -18.014 -13.715 -7.021 1.00 61.21 H new ATOM 0 HB3 LEU A 40 -16.695 -14.849 -7.233 1.00 61.21 H new ATOM 0 HG LEU A 40 -19.273 -15.485 -5.776 1.00 40.41 H new ATOM 0 HD11 LEU A 40 -19.886 -16.772 -7.760 1.00 33.43 H new ATOM 0 HD12 LEU A 40 -19.731 -15.034 -8.110 1.00 33.43 H new ATOM 0 HD13 LEU A 40 -18.442 -16.159 -8.599 1.00 33.43 H new ATOM 0 HD21 LEU A 40 -18.528 -17.814 -6.011 1.00 33.31 H new ATOM 0 HD22 LEU A 40 -17.013 -17.248 -6.754 1.00 33.31 H new ATOM 0 HD23 LEU A 40 -17.381 -16.840 -5.062 1.00 33.31 H new ATOM 635 N THR A 41 -14.963 -12.911 -4.734 1.00 34.30 N ATOM 636 CA THR A 41 -14.061 -11.780 -4.783 1.00 2.41 C ATOM 637 C THR A 41 -13.467 -11.649 -6.178 1.00 61.24 C ATOM 638 O THR A 41 -13.148 -10.548 -6.636 1.00 63.01 O ATOM 639 CB THR A 41 -12.934 -11.937 -3.746 1.00 62.22 C ATOM 640 OG1 THR A 41 -12.290 -13.207 -3.920 1.00 22.30 O ATOM 641 CG2 THR A 41 -13.485 -11.838 -2.332 1.00 34.13 C ATOM 0 H THR A 41 -14.611 -13.704 -4.197 1.00 34.30 H new ATOM 0 HA THR A 41 -14.626 -10.878 -4.546 1.00 2.41 H new ATOM 0 HB THR A 41 -12.212 -11.134 -3.897 1.00 62.22 H new ATOM 0 HG1 THR A 41 -11.572 -13.303 -3.259 1.00 22.30 H new ATOM 0 HG21 THR A 41 -12.671 -11.952 -1.616 1.00 34.13 H new ATOM 0 HG22 THR A 41 -13.958 -10.866 -2.193 1.00 34.13 H new ATOM 0 HG23 THR A 41 -14.222 -12.626 -2.173 1.00 34.13 H new ATOM 649 N ASP A 42 -13.353 -12.779 -6.863 1.00 70.03 N ATOM 650 CA ASP A 42 -12.813 -12.801 -8.210 1.00 41.35 C ATOM 651 C ASP A 42 -13.611 -13.750 -9.079 1.00 33.04 C ATOM 652 O ASP A 42 -13.543 -14.965 -8.910 1.00 1.52 O ATOM 653 CB ASP A 42 -11.348 -13.229 -8.202 1.00 53.42 C ATOM 654 CG ASP A 42 -10.711 -13.105 -9.571 1.00 75.34 C ATOM 655 OD1 ASP A 42 -10.401 -14.142 -10.185 1.00 21.15 O ATOM 656 OD2 ASP A 42 -10.531 -11.959 -10.040 1.00 35.22 O ATOM 0 H ASP A 42 -13.629 -13.693 -6.504 1.00 70.03 H new ATOM 0 HA ASP A 42 -12.882 -11.792 -8.617 1.00 41.35 H new ATOM 0 HB2 ASP A 42 -10.796 -12.617 -7.489 1.00 53.42 H new ATOM 0 HB3 ASP A 42 -11.274 -14.261 -7.860 1.00 53.42 H new ATOM 661 N CYS A 43 -14.394 -13.199 -9.981 1.00 44.13 N ATOM 662 CA CYS A 43 -15.144 -14.015 -10.910 1.00 2.32 C ATOM 663 C CYS A 43 -14.631 -13.792 -12.321 1.00 2.34 C ATOM 664 O CYS A 43 -14.129 -12.707 -12.639 1.00 25.43 O ATOM 665 CB CYS A 43 -16.638 -13.694 -10.832 1.00 51.33 C ATOM 666 SG CYS A 43 -17.061 -12.006 -11.329 1.00 4.15 S ATOM 0 H CYS A 43 -14.527 -12.194 -10.091 1.00 44.13 H new ATOM 0 HA CYS A 43 -15.008 -15.063 -10.641 1.00 2.32 H new ATOM 0 HB2 CYS A 43 -17.182 -14.394 -11.465 1.00 51.33 H new ATOM 0 HB3 CYS A 43 -16.980 -13.856 -9.810 1.00 51.33 H new ATOM 0 HG CYS A 43 -16.904 -11.879 -12.613 1.00 4.15 H new ATOM 672 N VAL A 44 -14.726 -14.820 -13.151 1.00 72.40 N ATOM 673 CA VAL A 44 -14.331 -14.705 -14.544 1.00 1.13 C ATOM 674 C VAL A 44 -14.692 -15.967 -15.321 1.00 3.44 C ATOM 675 O VAL A 44 -14.593 -17.081 -14.809 1.00 31.40 O ATOM 676 CB VAL A 44 -12.817 -14.418 -14.678 1.00 41.33 C ATOM 677 CG1 VAL A 44 -11.987 -15.562 -14.111 1.00 53.12 C ATOM 678 CG2 VAL A 44 -12.437 -14.135 -16.124 1.00 33.43 C ATOM 0 H VAL A 44 -15.073 -15.741 -12.883 1.00 72.40 H new ATOM 0 HA VAL A 44 -14.880 -13.864 -14.968 1.00 1.13 H new ATOM 0 HB VAL A 44 -12.598 -13.525 -14.093 1.00 41.33 H new ATOM 0 HG11 VAL A 44 -10.927 -15.331 -14.220 1.00 53.12 H new ATOM 0 HG12 VAL A 44 -12.223 -15.694 -13.055 1.00 53.12 H new ATOM 0 HG13 VAL A 44 -12.216 -16.480 -14.652 1.00 53.12 H new ATOM 0 HG21 VAL A 44 -11.367 -13.937 -16.187 1.00 33.43 H new ATOM 0 HG22 VAL A 44 -12.683 -14.999 -16.741 1.00 33.43 H new ATOM 0 HG23 VAL A 44 -12.989 -13.266 -16.482 1.00 33.43 H new ATOM 688 N VAL A 45 -15.147 -15.780 -16.548 1.00 34.43 N ATOM 689 CA VAL A 45 -15.423 -16.895 -17.438 1.00 23.45 C ATOM 690 C VAL A 45 -14.577 -16.774 -18.689 1.00 61.21 C ATOM 691 O VAL A 45 -14.378 -15.680 -19.217 1.00 33.11 O ATOM 692 CB VAL A 45 -16.917 -16.980 -17.822 1.00 75.22 C ATOM 693 CG1 VAL A 45 -17.769 -17.293 -16.603 1.00 54.02 C ATOM 694 CG2 VAL A 45 -17.383 -15.692 -18.484 1.00 43.31 C ATOM 0 H VAL A 45 -15.334 -14.862 -16.952 1.00 34.43 H new ATOM 0 HA VAL A 45 -15.170 -17.811 -16.904 1.00 23.45 H new ATOM 0 HB VAL A 45 -17.034 -17.792 -18.540 1.00 75.22 H new ATOM 0 HG11 VAL A 45 -18.817 -17.348 -16.896 1.00 54.02 H new ATOM 0 HG12 VAL A 45 -17.460 -18.248 -16.179 1.00 54.02 H new ATOM 0 HG13 VAL A 45 -17.641 -16.507 -15.858 1.00 54.02 H new ATOM 0 HG21 VAL A 45 -18.438 -15.778 -18.745 1.00 43.31 H new ATOM 0 HG22 VAL A 45 -17.246 -14.859 -17.795 1.00 43.31 H new ATOM 0 HG23 VAL A 45 -16.799 -15.515 -19.388 1.00 43.31 H new ATOM 704 N MET A 46 -14.063 -17.893 -19.150 1.00 23.32 N ATOM 705 CA MET A 46 -13.206 -17.900 -20.314 1.00 63.32 C ATOM 706 C MET A 46 -14.037 -17.916 -21.576 1.00 54.22 C ATOM 707 O MET A 46 -15.034 -18.634 -21.669 1.00 21.52 O ATOM 708 CB MET A 46 -12.261 -19.096 -20.280 1.00 54.35 C ATOM 709 CG MET A 46 -11.122 -18.940 -19.291 1.00 53.33 C ATOM 710 SD MET A 46 -11.673 -18.784 -17.586 1.00 2.42 S ATOM 711 CE MET A 46 -10.092 -18.599 -16.779 1.00 55.42 C ATOM 0 H MET A 46 -14.224 -18.811 -18.736 1.00 23.32 H new ATOM 0 HA MET A 46 -12.604 -16.991 -20.305 1.00 63.32 H new ATOM 0 HB2 MET A 46 -12.830 -19.991 -20.029 1.00 54.35 H new ATOM 0 HB3 MET A 46 -11.848 -19.251 -21.277 1.00 54.35 H new ATOM 0 HG2 MET A 46 -10.459 -19.801 -19.373 1.00 53.33 H new ATOM 0 HG3 MET A 46 -10.537 -18.060 -19.558 1.00 53.33 H new ATOM 0 HE1 MET A 46 -10.245 -18.279 -15.748 1.00 55.42 H new ATOM 0 HE2 MET A 46 -9.565 -19.553 -16.788 1.00 55.42 H new ATOM 0 HE3 MET A 46 -9.499 -17.852 -17.307 1.00 55.42 H new ATOM 856 N ARG A 55 -16.188 -20.517 -23.323 1.00 73.30 N ATOM 857 CA ARG A 55 -15.378 -21.701 -23.549 1.00 43.50 C ATOM 858 C ARG A 55 -16.008 -22.931 -22.911 1.00 45.53 C ATOM 859 O ARG A 55 -15.483 -24.036 -23.030 1.00 41.41 O ATOM 860 CB ARG A 55 -13.977 -21.506 -22.985 1.00 40.21 C ATOM 861 CG ARG A 55 -13.052 -20.699 -23.874 1.00 34.41 C ATOM 862 CD ARG A 55 -11.614 -20.830 -23.411 1.00 32.23 C ATOM 863 NE ARG A 55 -10.708 -19.889 -24.073 1.00 24.14 N ATOM 864 CZ ARG A 55 -9.393 -20.094 -24.185 1.00 10.35 C ATOM 865 NH1 ARG A 55 -8.872 -21.243 -23.779 1.00 40.44 N ATOM 866 NH2 ARG A 55 -8.603 -19.171 -24.720 1.00 52.23 N ATOM 0 HA ARG A 55 -15.319 -21.855 -24.626 1.00 43.50 H new ATOM 0 HB2 ARG A 55 -14.054 -21.011 -22.017 1.00 40.21 H new ATOM 0 HB3 ARG A 55 -13.530 -22.484 -22.809 1.00 40.21 H new ATOM 0 HG2 ARG A 55 -13.140 -21.042 -24.905 1.00 34.41 H new ATOM 0 HG3 ARG A 55 -13.350 -19.650 -23.860 1.00 34.41 H new ATOM 0 HD2 ARG A 55 -11.570 -20.670 -22.334 1.00 32.23 H new ATOM 0 HD3 ARG A 55 -11.270 -21.848 -23.597 1.00 32.23 H new ATOM 0 HE ARG A 55 -11.101 -19.035 -24.468 1.00 24.14 H new ATOM 0 HH11 ARG A 55 -9.475 -21.965 -23.384 1.00 40.44 H new ATOM 0 HH12 ARG A 55 -7.868 -21.406 -23.862 1.00 40.44 H new ATOM 0 HH21 ARG A 55 -8.999 -18.291 -25.052 1.00 52.23 H new ATOM 0 HH22 ARG A 55 -7.600 -19.341 -24.799 1.00 52.23 H new ATOM 880 N GLY A 56 -17.126 -22.733 -22.228 1.00 74.21 N ATOM 881 CA GLY A 56 -17.789 -23.843 -21.572 1.00 2.44 C ATOM 882 C GLY A 56 -17.258 -24.083 -20.171 1.00 53.31 C ATOM 883 O GLY A 56 -17.487 -25.144 -19.583 1.00 50.21 O ATOM 0 H GLY A 56 -17.585 -21.829 -22.116 1.00 74.21 H new ATOM 0 HA2 GLY A 56 -18.860 -23.647 -21.524 1.00 2.44 H new ATOM 0 HA3 GLY A 56 -17.657 -24.746 -22.168 1.00 2.44 H new ATOM 887 N PHE A 57 -16.559 -23.088 -19.630 1.00 20.32 N ATOM 888 CA PHE A 57 -16.042 -23.157 -18.267 1.00 2.44 C ATOM 889 C PHE A 57 -15.631 -21.773 -17.768 1.00 13.44 C ATOM 890 O PHE A 57 -15.435 -20.845 -18.557 1.00 71.52 O ATOM 891 CB PHE A 57 -14.863 -24.142 -18.155 1.00 33.11 C ATOM 892 CG PHE A 57 -13.705 -23.845 -19.065 1.00 11.04 C ATOM 893 CD1 PHE A 57 -12.794 -22.844 -18.763 1.00 70.15 C ATOM 894 CD2 PHE A 57 -13.527 -24.578 -20.222 1.00 65.31 C ATOM 895 CE1 PHE A 57 -11.734 -22.576 -19.605 1.00 62.25 C ATOM 896 CE2 PHE A 57 -12.468 -24.319 -21.070 1.00 42.31 C ATOM 897 CZ PHE A 57 -11.572 -23.313 -20.762 1.00 52.50 C ATOM 0 H PHE A 57 -16.337 -22.220 -20.118 1.00 20.32 H new ATOM 0 HA PHE A 57 -16.848 -23.529 -17.634 1.00 2.44 H new ATOM 0 HB2 PHE A 57 -14.506 -24.144 -17.125 1.00 33.11 H new ATOM 0 HB3 PHE A 57 -15.226 -25.147 -18.369 1.00 33.11 H new ATOM 0 HD1 PHE A 57 -12.916 -22.267 -17.858 1.00 70.15 H new ATOM 0 HD2 PHE A 57 -14.225 -25.364 -20.467 1.00 65.31 H new ATOM 0 HE1 PHE A 57 -11.033 -21.792 -19.360 1.00 62.25 H new ATOM 0 HE2 PHE A 57 -12.341 -24.901 -21.971 1.00 42.31 H new ATOM 0 HZ PHE A 57 -10.746 -23.103 -21.425 1.00 52.50 H new ATOM 907 N GLY A 58 -15.519 -21.650 -16.453 1.00 21.32 N ATOM 908 CA GLY A 58 -15.118 -20.401 -15.837 1.00 40.31 C ATOM 909 C GLY A 58 -14.584 -20.624 -14.437 1.00 71.44 C ATOM 910 O GLY A 58 -14.484 -21.768 -13.986 1.00 33.22 O ATOM 0 H GLY A 58 -15.702 -22.406 -15.793 1.00 21.32 H new ATOM 0 HA2 GLY A 58 -14.354 -19.921 -16.448 1.00 40.31 H new ATOM 0 HA3 GLY A 58 -15.970 -19.722 -15.800 1.00 40.31 H new ATOM 914 N PHE A 59 -14.244 -19.548 -13.744 1.00 50.05 N ATOM 915 CA PHE A 59 -13.696 -19.644 -12.399 1.00 33.22 C ATOM 916 C PHE A 59 -14.345 -18.633 -11.466 1.00 54.14 C ATOM 917 O PHE A 59 -14.805 -17.573 -11.894 1.00 34.35 O ATOM 918 CB PHE A 59 -12.180 -19.434 -12.410 1.00 54.43 C ATOM 919 CG PHE A 59 -11.420 -20.533 -13.092 1.00 44.01 C ATOM 920 CD1 PHE A 59 -10.903 -21.590 -12.365 1.00 3.51 C ATOM 921 CD2 PHE A 59 -11.223 -20.508 -14.459 1.00 53.15 C ATOM 922 CE1 PHE A 59 -10.203 -22.599 -12.992 1.00 44.31 C ATOM 923 CE2 PHE A 59 -10.524 -21.513 -15.094 1.00 53.34 C ATOM 924 CZ PHE A 59 -10.012 -22.561 -14.360 1.00 4.43 C ATOM 0 H PHE A 59 -14.338 -18.594 -14.092 1.00 50.05 H new ATOM 0 HA PHE A 59 -13.913 -20.647 -12.032 1.00 33.22 H new ATOM 0 HB2 PHE A 59 -11.957 -18.489 -12.906 1.00 54.43 H new ATOM 0 HB3 PHE A 59 -11.828 -19.345 -11.382 1.00 54.43 H new ATOM 0 HD1 PHE A 59 -11.049 -21.625 -11.296 1.00 3.51 H new ATOM 0 HD2 PHE A 59 -11.622 -19.689 -15.039 1.00 53.15 H new ATOM 0 HE1 PHE A 59 -9.804 -23.419 -12.414 1.00 44.31 H new ATOM 0 HE2 PHE A 59 -10.378 -21.479 -16.164 1.00 53.34 H new ATOM 0 HZ PHE A 59 -9.463 -23.350 -14.852 1.00 4.43 H new ATOM 934 N VAL A 60 -14.371 -18.976 -10.188 1.00 2.12 N ATOM 935 CA VAL A 60 -14.964 -18.135 -9.156 1.00 2.22 C ATOM 936 C VAL A 60 -14.213 -18.277 -7.847 1.00 54.11 C ATOM 937 O VAL A 60 -14.201 -19.340 -7.231 1.00 60.21 O ATOM 938 CB VAL A 60 -16.453 -18.450 -8.947 1.00 53.42 C ATOM 939 CG1 VAL A 60 -17.284 -17.641 -9.914 1.00 31.23 C ATOM 940 CG2 VAL A 60 -16.736 -19.933 -9.105 1.00 3.22 C ATOM 0 H VAL A 60 -13.980 -19.849 -9.834 1.00 2.12 H new ATOM 0 HA VAL A 60 -14.885 -17.103 -9.499 1.00 2.22 H new ATOM 0 HB VAL A 60 -16.722 -18.176 -7.927 1.00 53.42 H new ATOM 0 HG11 VAL A 60 -18.340 -17.866 -9.764 1.00 31.23 H new ATOM 0 HG12 VAL A 60 -17.112 -16.579 -9.741 1.00 31.23 H new ATOM 0 HG13 VAL A 60 -17.001 -17.893 -10.936 1.00 31.23 H new ATOM 0 HG21 VAL A 60 -17.799 -20.119 -8.950 1.00 3.22 H new ATOM 0 HG22 VAL A 60 -16.454 -20.252 -10.108 1.00 3.22 H new ATOM 0 HG23 VAL A 60 -16.159 -20.494 -8.370 1.00 3.22 H new ATOM 950 N THR A 61 -13.564 -17.202 -7.443 1.00 12.32 N ATOM 951 CA THR A 61 -12.806 -17.185 -6.213 1.00 42.23 C ATOM 952 C THR A 61 -13.653 -16.580 -5.106 1.00 72.45 C ATOM 953 O THR A 61 -14.126 -15.452 -5.224 1.00 4.54 O ATOM 954 CB THR A 61 -11.503 -16.379 -6.379 1.00 43.21 C ATOM 955 OG1 THR A 61 -10.781 -16.857 -7.523 1.00 25.53 O ATOM 956 CG2 THR A 61 -10.625 -16.492 -5.139 1.00 71.13 C ATOM 0 H THR A 61 -13.549 -16.321 -7.957 1.00 12.32 H new ATOM 0 HA THR A 61 -12.540 -18.210 -5.953 1.00 42.23 H new ATOM 0 HB THR A 61 -11.767 -15.331 -6.519 1.00 43.21 H new ATOM 0 HG1 THR A 61 -9.954 -16.341 -7.627 1.00 25.53 H new ATOM 0 HG21 THR A 61 -9.713 -15.913 -5.285 1.00 71.13 H new ATOM 0 HG22 THR A 61 -11.165 -16.106 -4.274 1.00 71.13 H new ATOM 0 HG23 THR A 61 -10.368 -17.538 -4.969 1.00 71.13 H new ATOM 964 N TYR A 62 -13.864 -17.344 -4.050 1.00 62.33 N ATOM 965 CA TYR A 62 -14.709 -16.908 -2.951 1.00 33.51 C ATOM 966 C TYR A 62 -13.925 -16.072 -1.949 1.00 43.51 C ATOM 967 O TYR A 62 -12.701 -15.940 -2.047 1.00 60.53 O ATOM 968 CB TYR A 62 -15.337 -18.114 -2.251 1.00 50.52 C ATOM 969 CG TYR A 62 -16.480 -18.747 -3.014 1.00 41.11 C ATOM 970 CD1 TYR A 62 -17.793 -18.442 -2.689 1.00 3.11 C ATOM 971 CD2 TYR A 62 -16.255 -19.649 -4.047 1.00 34.34 C ATOM 972 CE1 TYR A 62 -18.849 -19.016 -3.363 1.00 31.40 C ATOM 973 CE2 TYR A 62 -17.309 -20.227 -4.729 1.00 72.20 C ATOM 974 CZ TYR A 62 -18.603 -19.907 -4.381 1.00 61.35 C ATOM 975 OH TYR A 62 -19.658 -20.471 -5.055 1.00 21.02 O ATOM 0 H TYR A 62 -13.461 -18.273 -3.929 1.00 62.33 H new ATOM 0 HA TYR A 62 -15.501 -16.285 -3.366 1.00 33.51 H new ATOM 0 HB2 TYR A 62 -14.566 -18.866 -2.084 1.00 50.52 H new ATOM 0 HB3 TYR A 62 -15.697 -17.804 -1.270 1.00 50.52 H new ATOM 0 HD1 TYR A 62 -17.992 -17.741 -1.892 1.00 3.11 H new ATOM 0 HD2 TYR A 62 -15.241 -19.902 -4.321 1.00 34.34 H new ATOM 0 HE1 TYR A 62 -19.865 -18.767 -3.093 1.00 31.40 H new ATOM 0 HE2 TYR A 62 -17.119 -20.926 -5.530 1.00 72.20 H new ATOM 0 HH TYR A 62 -20.422 -19.857 -5.040 1.00 21.02 H new ATOM 985 N ALA A 63 -14.637 -15.516 -0.980 1.00 74.20 N ATOM 986 CA ALA A 63 -14.021 -14.678 0.030 1.00 13.31 C ATOM 987 C ALA A 63 -13.250 -15.547 1.007 1.00 3.43 C ATOM 988 O ALA A 63 -12.153 -15.199 1.437 1.00 34.15 O ATOM 989 CB ALA A 63 -15.073 -13.848 0.748 1.00 52.50 C ATOM 0 H ALA A 63 -15.645 -15.632 -0.874 1.00 74.20 H new ATOM 0 HA ALA A 63 -13.326 -13.988 -0.449 1.00 13.31 H new ATOM 0 HB1 ALA A 63 -14.592 -13.225 1.503 1.00 52.50 H new ATOM 0 HB2 ALA A 63 -15.589 -13.213 0.028 1.00 52.50 H new ATOM 0 HB3 ALA A 63 -15.793 -14.510 1.229 1.00 52.50 H new ATOM 995 N THR A 64 -13.819 -16.698 1.321 1.00 3.32 N ATOM 996 CA THR A 64 -13.178 -17.655 2.196 1.00 64.14 C ATOM 997 C THR A 64 -13.434 -19.068 1.693 1.00 1.12 C ATOM 998 O THR A 64 -14.406 -19.317 0.975 1.00 24.24 O ATOM 999 CB THR A 64 -13.655 -17.511 3.664 1.00 71.12 C ATOM 1000 OG1 THR A 64 -13.233 -18.640 4.442 1.00 32.11 O ATOM 1001 CG2 THR A 64 -15.167 -17.377 3.751 1.00 70.14 C ATOM 0 H THR A 64 -14.733 -16.991 0.977 1.00 3.32 H new ATOM 0 HA THR A 64 -12.107 -17.452 2.183 1.00 64.14 H new ATOM 0 HB THR A 64 -13.204 -16.602 4.063 1.00 71.12 H new ATOM 0 HG1 THR A 64 -13.484 -18.504 5.379 1.00 32.11 H new ATOM 0 HG21 THR A 64 -15.464 -17.278 4.795 1.00 70.14 H new ATOM 0 HG22 THR A 64 -15.486 -16.494 3.198 1.00 70.14 H new ATOM 0 HG23 THR A 64 -15.636 -18.263 3.323 1.00 70.14 H new ATOM 1009 N VAL A 65 -12.553 -19.984 2.065 1.00 4.13 N ATOM 1010 CA VAL A 65 -12.661 -21.375 1.660 1.00 3.52 C ATOM 1011 C VAL A 65 -13.955 -22.004 2.193 1.00 1.33 C ATOM 1012 O VAL A 65 -14.465 -22.977 1.633 1.00 34.33 O ATOM 1013 CB VAL A 65 -11.433 -22.172 2.149 1.00 2.41 C ATOM 1014 CG1 VAL A 65 -11.343 -22.148 3.667 1.00 44.31 C ATOM 1015 CG2 VAL A 65 -11.465 -23.597 1.624 1.00 24.41 C ATOM 0 H VAL A 65 -11.745 -19.784 2.655 1.00 4.13 H new ATOM 0 HA VAL A 65 -12.692 -21.411 0.571 1.00 3.52 H new ATOM 0 HB VAL A 65 -10.538 -21.692 1.752 1.00 2.41 H new ATOM 0 HG11 VAL A 65 -10.470 -22.716 3.989 1.00 44.31 H new ATOM 0 HG12 VAL A 65 -11.252 -21.117 4.010 1.00 44.31 H new ATOM 0 HG13 VAL A 65 -12.243 -22.593 4.092 1.00 44.31 H new ATOM 0 HG21 VAL A 65 -10.589 -24.137 1.983 1.00 24.41 H new ATOM 0 HG22 VAL A 65 -12.368 -24.095 1.977 1.00 24.41 H new ATOM 0 HG23 VAL A 65 -11.461 -23.583 0.534 1.00 24.41 H new ATOM 1025 N GLU A 66 -14.495 -21.413 3.258 1.00 11.03 N ATOM 1026 CA GLU A 66 -15.751 -21.870 3.842 1.00 13.12 C ATOM 1027 C GLU A 66 -16.866 -21.831 2.806 1.00 70.42 C ATOM 1028 O GLU A 66 -17.710 -22.726 2.745 1.00 65.51 O ATOM 1029 CB GLU A 66 -16.135 -20.991 5.035 1.00 2.11 C ATOM 1030 CG GLU A 66 -15.071 -20.913 6.117 1.00 23.41 C ATOM 1031 CD GLU A 66 -14.798 -22.248 6.773 1.00 44.11 C ATOM 1032 OE1 GLU A 66 -15.658 -22.718 7.547 1.00 45.13 O ATOM 1033 OE2 GLU A 66 -13.719 -22.826 6.532 1.00 33.41 O ATOM 0 H GLU A 66 -14.078 -20.613 3.734 1.00 11.03 H new ATOM 0 HA GLU A 66 -15.614 -22.897 4.181 1.00 13.12 H new ATOM 0 HB2 GLU A 66 -16.348 -19.984 4.677 1.00 2.11 H new ATOM 0 HB3 GLU A 66 -17.056 -21.375 5.473 1.00 2.11 H new ATOM 0 HG2 GLU A 66 -14.147 -20.531 5.683 1.00 23.41 H new ATOM 0 HG3 GLU A 66 -15.385 -20.198 6.877 1.00 23.41 H new ATOM 1040 N GLU A 67 -16.846 -20.799 1.978 1.00 24.45 N ATOM 1041 CA GLU A 67 -17.875 -20.607 0.972 1.00 71.35 C ATOM 1042 C GLU A 67 -17.691 -21.595 -0.171 1.00 62.41 C ATOM 1043 O GLU A 67 -18.662 -22.126 -0.712 1.00 43.15 O ATOM 1044 CB GLU A 67 -17.827 -19.182 0.445 1.00 21.12 C ATOM 1045 CG GLU A 67 -17.700 -18.140 1.536 1.00 32.44 C ATOM 1046 CD GLU A 67 -17.857 -16.730 1.015 1.00 13.32 C ATOM 1047 OE1 GLU A 67 -17.052 -16.316 0.164 1.00 21.21 O ATOM 1048 OE2 GLU A 67 -18.788 -16.029 1.461 1.00 73.14 O ATOM 0 H GLU A 67 -16.124 -20.079 1.984 1.00 24.45 H new ATOM 0 HA GLU A 67 -18.848 -20.783 1.430 1.00 71.35 H new ATOM 0 HB2 GLU A 67 -16.985 -19.084 -0.240 1.00 21.12 H new ATOM 0 HB3 GLU A 67 -18.731 -18.985 -0.131 1.00 21.12 H new ATOM 0 HG2 GLU A 67 -18.454 -18.327 2.301 1.00 32.44 H new ATOM 0 HG3 GLU A 67 -16.727 -18.239 2.017 1.00 32.44 H new ATOM 1055 N VAL A 68 -16.432 -21.841 -0.527 1.00 15.35 N ATOM 1056 CA VAL A 68 -16.098 -22.832 -1.545 1.00 74.15 C ATOM 1057 C VAL A 68 -16.699 -24.187 -1.190 1.00 44.33 C ATOM 1058 O VAL A 68 -17.310 -24.848 -2.033 1.00 20.05 O ATOM 1059 CB VAL A 68 -14.567 -22.977 -1.717 1.00 22.01 C ATOM 1060 CG1 VAL A 68 -14.216 -24.242 -2.490 1.00 20.15 C ATOM 1061 CG2 VAL A 68 -13.998 -21.760 -2.426 1.00 31.31 C ATOM 0 H VAL A 68 -15.625 -21.366 -0.124 1.00 15.35 H new ATOM 0 HA VAL A 68 -16.519 -22.483 -2.488 1.00 74.15 H new ATOM 0 HB VAL A 68 -14.125 -23.051 -0.724 1.00 22.01 H new ATOM 0 HG11 VAL A 68 -13.134 -24.316 -2.595 1.00 20.15 H new ATOM 0 HG12 VAL A 68 -14.589 -25.113 -1.951 1.00 20.15 H new ATOM 0 HG13 VAL A 68 -14.674 -24.203 -3.478 1.00 20.15 H new ATOM 0 HG21 VAL A 68 -12.920 -21.876 -2.540 1.00 31.31 H new ATOM 0 HG22 VAL A 68 -14.458 -21.663 -3.409 1.00 31.31 H new ATOM 0 HG23 VAL A 68 -14.206 -20.866 -1.838 1.00 31.31 H new ATOM 1071 N ASP A 69 -16.542 -24.579 0.068 1.00 13.00 N ATOM 1072 CA ASP A 69 -17.058 -25.855 0.546 1.00 61.54 C ATOM 1073 C ASP A 69 -18.565 -25.936 0.345 1.00 74.00 C ATOM 1074 O ASP A 69 -19.080 -26.928 -0.166 1.00 51.41 O ATOM 1075 CB ASP A 69 -16.722 -26.052 2.026 1.00 22.01 C ATOM 1076 CG ASP A 69 -17.074 -27.442 2.519 1.00 51.10 C ATOM 1077 OD1 ASP A 69 -16.273 -28.371 2.293 1.00 74.31 O ATOM 1078 OD2 ASP A 69 -18.145 -27.613 3.143 1.00 34.51 O ATOM 0 H ASP A 69 -16.059 -24.029 0.778 1.00 13.00 H new ATOM 0 HA ASP A 69 -16.583 -26.647 -0.033 1.00 61.54 H new ATOM 0 HB2 ASP A 69 -15.658 -25.873 2.181 1.00 22.01 H new ATOM 0 HB3 ASP A 69 -17.259 -25.312 2.619 1.00 22.01 H new ATOM 1083 N ALA A 70 -19.264 -24.873 0.718 1.00 52.01 N ATOM 1084 CA ALA A 70 -20.718 -24.843 0.622 1.00 73.35 C ATOM 1085 C ALA A 70 -21.179 -24.985 -0.823 1.00 72.01 C ATOM 1086 O ALA A 70 -22.156 -25.682 -1.108 1.00 24.43 O ATOM 1087 CB ALA A 70 -21.261 -23.557 1.218 1.00 63.31 C ATOM 0 H ALA A 70 -18.848 -24.019 1.090 1.00 52.01 H new ATOM 0 HA ALA A 70 -21.107 -25.690 1.188 1.00 73.35 H new ATOM 0 HB1 ALA A 70 -22.348 -23.550 1.139 1.00 63.31 H new ATOM 0 HB2 ALA A 70 -20.973 -23.492 2.267 1.00 63.31 H new ATOM 0 HB3 ALA A 70 -20.852 -22.704 0.677 1.00 63.31 H new ATOM 1093 N ALA A 71 -20.463 -24.328 -1.729 1.00 11.21 N ATOM 1094 CA ALA A 71 -20.774 -24.392 -3.150 1.00 42.22 C ATOM 1095 C ALA A 71 -20.546 -25.795 -3.693 1.00 31.12 C ATOM 1096 O ALA A 71 -21.266 -26.255 -4.578 1.00 64.23 O ATOM 1097 CB ALA A 71 -19.934 -23.389 -3.918 1.00 2.42 C ATOM 0 H ALA A 71 -19.659 -23.742 -1.502 1.00 11.21 H new ATOM 0 HA ALA A 71 -21.827 -24.143 -3.280 1.00 42.22 H new ATOM 0 HB1 ALA A 71 -20.177 -23.448 -4.979 1.00 2.42 H new ATOM 0 HB2 ALA A 71 -20.144 -22.384 -3.553 1.00 2.42 H new ATOM 0 HB3 ALA A 71 -18.877 -23.614 -3.775 1.00 2.42 H new ATOM 1103 N MET A 72 -19.546 -26.476 -3.153 1.00 23.50 N ATOM 1104 CA MET A 72 -19.247 -27.837 -3.572 1.00 13.12 C ATOM 1105 C MET A 72 -20.356 -28.785 -3.138 1.00 4.10 C ATOM 1106 O MET A 72 -20.762 -29.664 -3.894 1.00 52.42 O ATOM 1107 CB MET A 72 -17.912 -28.314 -2.998 1.00 31.40 C ATOM 1108 CG MET A 72 -16.702 -27.551 -3.508 1.00 54.24 C ATOM 1109 SD MET A 72 -15.150 -28.317 -3.000 1.00 44.12 S ATOM 1110 CE MET A 72 -14.017 -27.547 -4.144 1.00 72.22 C ATOM 0 H MET A 72 -18.930 -26.110 -2.427 1.00 23.50 H new ATOM 0 HA MET A 72 -19.177 -27.838 -4.660 1.00 13.12 H new ATOM 0 HB2 MET A 72 -17.947 -28.231 -1.912 1.00 31.40 H new ATOM 0 HB3 MET A 72 -17.786 -29.371 -3.233 1.00 31.40 H new ATOM 0 HG2 MET A 72 -16.740 -27.498 -4.596 1.00 54.24 H new ATOM 0 HG3 MET A 72 -16.738 -26.527 -3.138 1.00 54.24 H new ATOM 0 HE1 MET A 72 -13.164 -28.205 -4.310 1.00 72.22 H new ATOM 0 HE2 MET A 72 -14.524 -27.364 -5.091 1.00 72.22 H new ATOM 0 HE3 MET A 72 -13.669 -26.600 -3.730 1.00 72.22 H new ATOM 1120 N ASN A 73 -20.852 -28.592 -1.918 1.00 0.03 N ATOM 1121 CA ASN A 73 -21.944 -29.417 -1.396 1.00 4.13 C ATOM 1122 C ASN A 73 -23.233 -29.156 -2.160 1.00 33.53 C ATOM 1123 O ASN A 73 -24.186 -29.931 -2.075 1.00 34.43 O ATOM 1124 CB ASN A 73 -22.187 -29.152 0.095 1.00 32.40 C ATOM 1125 CG ASN A 73 -21.088 -29.692 0.987 1.00 43.23 C ATOM 1126 OD1 ASN A 73 -21.099 -30.861 1.367 1.00 52.30 O ATOM 1127 ND2 ASN A 73 -20.145 -28.840 1.346 1.00 11.52 N ATOM 0 H ASN A 73 -20.518 -27.875 -1.273 1.00 0.03 H new ATOM 0 HA ASN A 73 -21.646 -30.457 -1.526 1.00 4.13 H new ATOM 0 HB2 ASN A 73 -22.281 -28.078 0.255 1.00 32.40 H new ATOM 0 HB3 ASN A 73 -23.136 -29.602 0.387 1.00 32.40 H new ATOM 0 HD21 ASN A 73 -19.390 -29.144 1.960 1.00 11.52 H new ATOM 0 HD22 ASN A 73 -20.172 -27.878 1.009 1.00 11.52 H new ATOM 1134 N ALA A 74 -23.246 -28.074 -2.922 1.00 11.31 N ATOM 1135 CA ALA A 74 -24.429 -27.661 -3.656 1.00 44.11 C ATOM 1136 C ALA A 74 -24.536 -28.382 -4.999 1.00 51.44 C ATOM 1137 O ALA A 74 -25.255 -27.942 -5.894 1.00 51.02 O ATOM 1138 CB ALA A 74 -24.406 -26.155 -3.854 1.00 4.20 C ATOM 0 H ALA A 74 -22.441 -27.461 -3.048 1.00 11.31 H new ATOM 0 HA ALA A 74 -25.309 -27.933 -3.073 1.00 44.11 H new ATOM 0 HB1 ALA A 74 -25.295 -25.847 -4.405 1.00 4.20 H new ATOM 0 HB2 ALA A 74 -24.392 -25.661 -2.883 1.00 4.20 H new ATOM 0 HB3 ALA A 74 -23.515 -25.876 -4.417 1.00 4.20 H new ATOM 1144 N ARG A 75 -23.827 -29.496 -5.134 1.00 54.21 N ATOM 1145 CA ARG A 75 -23.897 -30.300 -6.348 1.00 41.12 C ATOM 1146 C ARG A 75 -25.104 -31.239 -6.292 1.00 61.22 C ATOM 1147 O ARG A 75 -25.537 -31.630 -5.207 1.00 11.45 O ATOM 1148 CB ARG A 75 -22.600 -31.104 -6.557 1.00 74.12 C ATOM 1149 CG ARG A 75 -22.512 -32.412 -5.776 1.00 72.40 C ATOM 1150 CD ARG A 75 -22.509 -32.186 -4.274 1.00 11.01 C ATOM 1151 NE ARG A 75 -22.315 -33.429 -3.537 1.00 43.43 N ATOM 1152 CZ ARG A 75 -22.708 -33.622 -2.282 1.00 33.12 C ATOM 1153 NH1 ARG A 75 -23.398 -32.686 -1.645 1.00 21.43 N ATOM 1154 NH2 ARG A 75 -22.429 -34.765 -1.674 1.00 74.23 N ATOM 0 H ARG A 75 -23.198 -29.863 -4.420 1.00 54.21 H new ATOM 0 HA ARG A 75 -24.014 -29.625 -7.196 1.00 41.12 H new ATOM 0 HB2 ARG A 75 -22.497 -31.326 -7.619 1.00 74.12 H new ATOM 0 HB3 ARG A 75 -21.754 -30.476 -6.279 1.00 74.12 H new ATOM 0 HG2 ARG A 75 -23.354 -33.050 -6.044 1.00 72.40 H new ATOM 0 HG3 ARG A 75 -21.605 -32.944 -6.063 1.00 72.40 H new ATOM 0 HD2 ARG A 75 -21.718 -31.483 -4.014 1.00 11.01 H new ATOM 0 HD3 ARG A 75 -23.452 -31.729 -3.974 1.00 11.01 H new ATOM 0 HE ARG A 75 -21.848 -34.200 -4.015 1.00 43.43 H new ATOM 0 HH11 ARG A 75 -23.630 -31.813 -2.118 1.00 21.43 H new ATOM 0 HH12 ARG A 75 -23.697 -32.839 -0.682 1.00 21.43 H new ATOM 0 HH21 ARG A 75 -21.914 -35.493 -2.169 1.00 74.23 H new ATOM 0 HH22 ARG A 75 -22.729 -34.917 -0.711 1.00 74.23 H new ATOM 1168 N PRO A 76 -25.683 -31.597 -7.451 1.00 42.51 N ATOM 1169 CA PRO A 76 -25.254 -31.096 -8.760 1.00 60.25 C ATOM 1170 C PRO A 76 -25.571 -29.615 -8.922 1.00 61.32 C ATOM 1171 O PRO A 76 -26.728 -29.202 -8.823 1.00 53.12 O ATOM 1172 CB PRO A 76 -26.068 -31.927 -9.764 1.00 54.50 C ATOM 1173 CG PRO A 76 -26.665 -33.042 -8.975 1.00 44.41 C ATOM 1174 CD PRO A 76 -26.807 -32.531 -7.573 1.00 24.03 C ATOM 0 HA PRO A 76 -24.177 -31.190 -8.899 1.00 60.25 H new ATOM 0 HB2 PRO A 76 -26.843 -31.322 -10.235 1.00 54.50 H new ATOM 0 HB3 PRO A 76 -25.432 -32.309 -10.562 1.00 54.50 H new ATOM 0 HG2 PRO A 76 -27.633 -33.333 -9.383 1.00 44.41 H new ATOM 0 HG3 PRO A 76 -26.027 -33.925 -9.005 1.00 44.41 H new ATOM 0 HD2 PRO A 76 -27.765 -32.034 -7.419 1.00 24.03 H new ATOM 0 HD3 PRO A 76 -26.745 -33.336 -6.841 1.00 24.03 H new ATOM 1182 N HIS A 77 -24.541 -28.821 -9.154 1.00 41.22 N ATOM 1183 CA HIS A 77 -24.698 -27.382 -9.257 1.00 71.41 C ATOM 1184 C HIS A 77 -25.385 -27.019 -10.571 1.00 51.13 C ATOM 1185 O HIS A 77 -25.135 -27.641 -11.604 1.00 22.12 O ATOM 1186 CB HIS A 77 -23.335 -26.697 -9.162 1.00 73.33 C ATOM 1187 CG HIS A 77 -23.419 -25.261 -8.768 1.00 74.53 C ATOM 1188 ND1 HIS A 77 -23.960 -24.325 -9.611 1.00 71.22 N ATOM 1189 CD2 HIS A 77 -23.037 -24.658 -7.619 1.00 31.22 C ATOM 1190 CE1 HIS A 77 -23.904 -23.179 -8.968 1.00 11.42 C ATOM 1191 NE2 HIS A 77 -23.353 -23.328 -7.752 1.00 34.53 N ATOM 0 H HIS A 77 -23.583 -29.151 -9.275 1.00 41.22 H new ATOM 0 HA HIS A 77 -25.321 -27.036 -8.432 1.00 71.41 H new ATOM 0 HB2 HIS A 77 -22.719 -27.229 -8.437 1.00 73.33 H new ATOM 0 HB3 HIS A 77 -22.831 -26.773 -10.125 1.00 73.33 H new ATOM 0 HD2 HIS A 77 -22.574 -25.130 -6.765 1.00 31.22 H new ATOM 0 HE1 HIS A 77 -24.256 -22.239 -9.366 1.00 11.42 H new ATOM 0 HE2 HIS A 77 -23.199 -22.594 -7.060 1.00 34.53 H new ATOM 1199 N LYS A 78 -26.250 -26.017 -10.529 1.00 1.45 N ATOM 1200 CA LYS A 78 -27.004 -25.617 -11.704 1.00 0.01 C ATOM 1201 C LYS A 78 -26.760 -24.147 -12.031 1.00 12.31 C ATOM 1202 O LYS A 78 -27.119 -23.259 -11.257 1.00 1.32 O ATOM 1203 CB LYS A 78 -28.500 -25.856 -11.490 1.00 4.31 C ATOM 1204 CG LYS A 78 -29.334 -25.618 -12.733 1.00 73.22 C ATOM 1205 CD LYS A 78 -29.341 -26.831 -13.642 1.00 43.23 C ATOM 1206 CE LYS A 78 -30.515 -27.747 -13.334 1.00 53.01 C ATOM 1207 NZ LYS A 78 -30.470 -28.301 -11.953 1.00 35.31 N ATOM 0 H LYS A 78 -26.446 -25.467 -9.693 1.00 1.45 H new ATOM 0 HA LYS A 78 -26.663 -26.224 -12.543 1.00 0.01 H new ATOM 0 HB2 LYS A 78 -28.651 -26.881 -11.151 1.00 4.31 H new ATOM 0 HB3 LYS A 78 -28.854 -25.202 -10.694 1.00 4.31 H new ATOM 0 HG2 LYS A 78 -30.356 -25.373 -12.444 1.00 73.22 H new ATOM 0 HG3 LYS A 78 -28.941 -24.758 -13.276 1.00 73.22 H new ATOM 0 HD2 LYS A 78 -29.392 -26.508 -14.682 1.00 43.23 H new ATOM 0 HD3 LYS A 78 -28.407 -27.381 -13.525 1.00 43.23 H new ATOM 0 HE2 LYS A 78 -31.445 -27.195 -13.469 1.00 53.01 H new ATOM 0 HE3 LYS A 78 -30.526 -28.569 -14.050 1.00 53.01 H new ATOM 0 HZ1 LYS A 78 -31.156 -29.078 -11.868 1.00 35.31 H new ATOM 0 HZ2 LYS A 78 -29.514 -28.660 -11.754 1.00 35.31 H new ATOM 0 HZ3 LYS A 78 -30.708 -27.553 -11.271 1.00 35.31 H new ATOM 1221 N VAL A 79 -26.152 -23.900 -13.182 1.00 52.53 N ATOM 1222 CA VAL A 79 -25.906 -22.544 -13.655 1.00 21.42 C ATOM 1223 C VAL A 79 -26.446 -22.384 -15.074 1.00 40.50 C ATOM 1224 O VAL A 79 -26.076 -23.144 -15.966 1.00 4.45 O ATOM 1225 CB VAL A 79 -24.399 -22.204 -13.631 1.00 22.12 C ATOM 1226 CG1 VAL A 79 -24.133 -20.834 -14.239 1.00 1.52 C ATOM 1227 CG2 VAL A 79 -23.855 -22.272 -12.218 1.00 43.00 C ATOM 0 H VAL A 79 -25.817 -24.629 -13.812 1.00 52.53 H new ATOM 0 HA VAL A 79 -26.421 -21.855 -12.985 1.00 21.42 H new ATOM 0 HB VAL A 79 -23.882 -22.948 -14.237 1.00 22.12 H new ATOM 0 HG11 VAL A 79 -23.064 -20.623 -14.208 1.00 1.52 H new ATOM 0 HG12 VAL A 79 -24.475 -20.823 -15.274 1.00 1.52 H new ATOM 0 HG13 VAL A 79 -24.669 -20.074 -13.671 1.00 1.52 H new ATOM 0 HG21 VAL A 79 -22.792 -22.029 -12.225 1.00 43.00 H new ATOM 0 HG22 VAL A 79 -24.386 -21.558 -11.589 1.00 43.00 H new ATOM 0 HG23 VAL A 79 -23.994 -23.278 -11.822 1.00 43.00 H new ATOM 1237 N ASP A 80 -27.345 -21.416 -15.261 1.00 4.21 N ATOM 1238 CA ASP A 80 -27.980 -21.161 -16.560 1.00 0.55 C ATOM 1239 C ASP A 80 -28.822 -22.347 -17.017 1.00 24.40 C ATOM 1240 O ASP A 80 -29.115 -22.491 -18.207 1.00 42.54 O ATOM 1241 CB ASP A 80 -26.941 -20.819 -17.635 1.00 15.23 C ATOM 1242 CG ASP A 80 -26.631 -19.338 -17.708 1.00 32.52 C ATOM 1243 OD1 ASP A 80 -25.499 -18.943 -17.357 1.00 30.35 O ATOM 1244 OD2 ASP A 80 -27.523 -18.565 -18.124 1.00 2.43 O ATOM 0 H ASP A 80 -27.654 -20.787 -14.520 1.00 4.21 H new ATOM 0 HA ASP A 80 -28.637 -20.302 -16.423 1.00 0.55 H new ATOM 0 HB2 ASP A 80 -26.021 -21.368 -17.431 1.00 15.23 H new ATOM 0 HB3 ASP A 80 -27.305 -21.157 -18.605 1.00 15.23 H new ATOM 1249 N GLY A 81 -29.242 -23.175 -16.070 1.00 64.21 N ATOM 1250 CA GLY A 81 -29.978 -24.379 -16.410 1.00 43.41 C ATOM 1251 C GLY A 81 -29.053 -25.499 -16.843 1.00 21.52 C ATOM 1252 O GLY A 81 -29.488 -26.501 -17.408 1.00 30.42 O ATOM 0 H GLY A 81 -29.087 -23.035 -15.072 1.00 64.21 H new ATOM 0 HA2 GLY A 81 -30.563 -24.703 -15.549 1.00 43.41 H new ATOM 0 HA3 GLY A 81 -30.684 -24.160 -17.211 1.00 43.41 H new ATOM 1256 N ARG A 82 -27.772 -25.321 -16.566 1.00 41.55 N ATOM 1257 CA ARG A 82 -26.753 -26.287 -16.934 1.00 22.23 C ATOM 1258 C ARG A 82 -26.110 -26.865 -15.681 1.00 74.34 C ATOM 1259 O ARG A 82 -25.716 -26.123 -14.781 1.00 14.23 O ATOM 1260 CB ARG A 82 -25.693 -25.607 -17.809 1.00 54.41 C ATOM 1261 CG ARG A 82 -24.559 -26.517 -18.250 1.00 33.31 C ATOM 1262 CD ARG A 82 -25.057 -27.649 -19.129 1.00 44.52 C ATOM 1263 NE ARG A 82 -25.724 -27.161 -20.335 1.00 23.41 N ATOM 1264 CZ ARG A 82 -26.219 -27.957 -21.283 1.00 14.24 C ATOM 1265 NH1 ARG A 82 -26.063 -29.274 -21.194 1.00 1.42 N ATOM 1266 NH2 ARG A 82 -26.850 -27.435 -22.328 1.00 21.44 N ATOM 0 H ARG A 82 -27.410 -24.501 -16.079 1.00 41.55 H new ATOM 0 HA ARG A 82 -27.212 -27.099 -17.498 1.00 22.23 H new ATOM 0 HB2 ARG A 82 -26.179 -25.199 -18.695 1.00 54.41 H new ATOM 0 HB3 ARG A 82 -25.273 -24.765 -17.259 1.00 54.41 H new ATOM 0 HG2 ARG A 82 -23.815 -25.934 -18.794 1.00 33.31 H new ATOM 0 HG3 ARG A 82 -24.061 -26.930 -17.372 1.00 33.31 H new ATOM 0 HD2 ARG A 82 -24.217 -28.283 -19.412 1.00 44.52 H new ATOM 0 HD3 ARG A 82 -25.748 -28.271 -18.560 1.00 44.52 H new ATOM 0 HE ARG A 82 -25.816 -26.153 -20.458 1.00 23.41 H new ATOM 0 HH11 ARG A 82 -25.564 -29.676 -20.400 1.00 1.42 H new ATOM 0 HH12 ARG A 82 -26.442 -29.883 -21.920 1.00 1.42 H new ATOM 0 HH21 ARG A 82 -26.957 -26.424 -22.406 1.00 21.44 H new ATOM 0 HH22 ARG A 82 -27.228 -28.045 -23.052 1.00 21.44 H new ATOM 1280 N VAL A 83 -26.031 -28.184 -15.612 1.00 64.40 N ATOM 1281 CA VAL A 83 -25.384 -28.844 -14.490 1.00 53.11 C ATOM 1282 C VAL A 83 -23.868 -28.739 -14.622 1.00 62.02 C ATOM 1283 O VAL A 83 -23.259 -29.403 -15.461 1.00 31.53 O ATOM 1284 CB VAL A 83 -25.791 -30.330 -14.389 1.00 11.22 C ATOM 1285 CG1 VAL A 83 -25.118 -30.993 -13.197 1.00 62.22 C ATOM 1286 CG2 VAL A 83 -27.303 -30.463 -14.297 1.00 1.32 C ATOM 0 H VAL A 83 -26.406 -28.817 -16.318 1.00 64.40 H new ATOM 0 HA VAL A 83 -25.711 -28.340 -13.581 1.00 53.11 H new ATOM 0 HB VAL A 83 -25.457 -30.839 -15.293 1.00 11.22 H new ATOM 0 HG11 VAL A 83 -25.419 -32.039 -13.145 1.00 62.22 H new ATOM 0 HG12 VAL A 83 -24.036 -30.932 -13.310 1.00 62.22 H new ATOM 0 HG13 VAL A 83 -25.417 -30.484 -12.281 1.00 62.22 H new ATOM 0 HG21 VAL A 83 -27.572 -31.517 -14.227 1.00 1.32 H new ATOM 0 HG22 VAL A 83 -27.661 -29.937 -13.412 1.00 1.32 H new ATOM 0 HG23 VAL A 83 -27.761 -30.030 -15.186 1.00 1.32 H new ATOM 1296 N VAL A 84 -23.266 -27.892 -13.804 1.00 22.23 N ATOM 1297 CA VAL A 84 -21.830 -27.674 -13.861 1.00 10.42 C ATOM 1298 C VAL A 84 -21.117 -28.545 -12.837 1.00 54.42 C ATOM 1299 O VAL A 84 -21.754 -29.287 -12.089 1.00 22.21 O ATOM 1300 CB VAL A 84 -21.459 -26.193 -13.623 1.00 52.44 C ATOM 1301 CG1 VAL A 84 -22.174 -25.294 -14.620 1.00 50.24 C ATOM 1302 CG2 VAL A 84 -21.772 -25.767 -12.195 1.00 1.21 C ATOM 0 H VAL A 84 -23.749 -27.344 -13.092 1.00 22.23 H new ATOM 0 HA VAL A 84 -21.506 -27.948 -14.865 1.00 10.42 H new ATOM 0 HB VAL A 84 -20.384 -26.090 -13.774 1.00 52.44 H new ATOM 0 HG11 VAL A 84 -21.899 -24.255 -14.436 1.00 50.24 H new ATOM 0 HG12 VAL A 84 -21.884 -25.572 -15.633 1.00 50.24 H new ATOM 0 HG13 VAL A 84 -23.252 -25.410 -14.507 1.00 50.24 H new ATOM 0 HG21 VAL A 84 -21.500 -24.720 -12.060 1.00 1.21 H new ATOM 0 HG22 VAL A 84 -22.838 -25.892 -12.003 1.00 1.21 H new ATOM 0 HG23 VAL A 84 -21.203 -26.383 -11.499 1.00 1.21 H new ATOM 1312 N GLU A 85 -19.801 -28.462 -12.812 1.00 41.21 N ATOM 1313 CA GLU A 85 -19.011 -29.214 -11.853 1.00 40.04 C ATOM 1314 C GLU A 85 -17.957 -28.310 -11.220 1.00 54.33 C ATOM 1315 O GLU A 85 -16.892 -28.088 -11.793 1.00 11.41 O ATOM 1316 CB GLU A 85 -18.356 -30.424 -12.527 1.00 4.34 C ATOM 1317 CG GLU A 85 -17.612 -31.338 -11.565 1.00 61.13 C ATOM 1318 CD GLU A 85 -17.019 -32.551 -12.252 1.00 22.20 C ATOM 1319 OE1 GLU A 85 -15.858 -32.477 -12.706 1.00 51.34 O ATOM 1320 OE2 GLU A 85 -17.711 -33.586 -12.342 1.00 31.11 O ATOM 0 H GLU A 85 -19.254 -27.880 -13.446 1.00 41.21 H new ATOM 0 HA GLU A 85 -19.670 -29.582 -11.066 1.00 40.04 H new ATOM 0 HB2 GLU A 85 -19.125 -31.002 -13.040 1.00 4.34 H new ATOM 0 HB3 GLU A 85 -17.661 -30.071 -13.289 1.00 4.34 H new ATOM 0 HG2 GLU A 85 -16.815 -30.775 -11.078 1.00 61.13 H new ATOM 0 HG3 GLU A 85 -18.295 -31.667 -10.781 1.00 61.13 H new ATOM 1327 N PRO A 86 -18.273 -27.740 -10.049 1.00 11.44 N ATOM 1328 CA PRO A 86 -17.355 -26.872 -9.318 1.00 64.43 C ATOM 1329 C PRO A 86 -16.338 -27.664 -8.498 1.00 2.12 C ATOM 1330 O PRO A 86 -16.701 -28.456 -7.625 1.00 5.55 O ATOM 1331 CB PRO A 86 -18.284 -26.071 -8.411 1.00 53.20 C ATOM 1332 CG PRO A 86 -19.462 -26.956 -8.170 1.00 42.41 C ATOM 1333 CD PRO A 86 -19.565 -27.886 -9.354 1.00 62.35 C ATOM 0 HA PRO A 86 -16.752 -26.253 -9.982 1.00 64.43 H new ATOM 0 HB2 PRO A 86 -17.790 -25.810 -7.475 1.00 53.20 H new ATOM 0 HB3 PRO A 86 -18.585 -25.136 -8.884 1.00 53.20 H new ATOM 0 HG2 PRO A 86 -19.338 -27.521 -7.246 1.00 42.41 H new ATOM 0 HG3 PRO A 86 -20.372 -26.366 -8.063 1.00 42.41 H new ATOM 0 HD2 PRO A 86 -19.732 -28.916 -9.037 1.00 62.35 H new ATOM 0 HD3 PRO A 86 -20.398 -27.613 -10.002 1.00 62.35 H new ATOM 1341 N LYS A 87 -15.064 -27.451 -8.792 1.00 3.03 N ATOM 1342 CA LYS A 87 -13.987 -28.165 -8.119 1.00 4.32 C ATOM 1343 C LYS A 87 -12.882 -27.203 -7.709 1.00 54.53 C ATOM 1344 O LYS A 87 -12.839 -26.072 -8.180 1.00 2.33 O ATOM 1345 CB LYS A 87 -13.422 -29.246 -9.040 1.00 23.21 C ATOM 1346 CG LYS A 87 -14.438 -30.310 -9.419 1.00 55.51 C ATOM 1347 CD LYS A 87 -13.883 -31.283 -10.441 1.00 72.10 C ATOM 1348 CE LYS A 87 -13.529 -30.587 -11.744 1.00 64.15 C ATOM 1349 NZ LYS A 87 -13.275 -31.562 -12.835 1.00 54.54 N ATOM 0 H LYS A 87 -14.748 -26.785 -9.497 1.00 3.03 H new ATOM 0 HA LYS A 87 -14.390 -28.634 -7.221 1.00 4.32 H new ATOM 0 HB2 LYS A 87 -13.043 -28.777 -9.948 1.00 23.21 H new ATOM 0 HB3 LYS A 87 -12.574 -29.723 -8.550 1.00 23.21 H new ATOM 0 HG2 LYS A 87 -14.742 -30.856 -8.526 1.00 55.51 H new ATOM 0 HG3 LYS A 87 -15.332 -29.832 -9.821 1.00 55.51 H new ATOM 0 HD2 LYS A 87 -12.996 -31.770 -10.036 1.00 72.10 H new ATOM 0 HD3 LYS A 87 -14.616 -32.066 -10.634 1.00 72.10 H new ATOM 0 HE2 LYS A 87 -14.342 -29.921 -12.033 1.00 64.15 H new ATOM 0 HE3 LYS A 87 -12.645 -29.967 -11.597 1.00 64.15 H new ATOM 0 HZ1 LYS A 87 -13.036 -31.051 -13.709 1.00 54.54 H new ATOM 0 HZ2 LYS A 87 -12.483 -32.182 -12.569 1.00 54.54 H new ATOM 0 HZ3 LYS A 87 -14.127 -32.137 -12.992 1.00 54.54 H new ATOM 1363 N ARG A 88 -12.005 -27.652 -6.823 1.00 61.03 N ATOM 1364 CA ARG A 88 -10.863 -26.853 -6.390 1.00 74.21 C ATOM 1365 C ARG A 88 -10.002 -26.498 -7.597 1.00 5.20 C ATOM 1366 O ARG A 88 -9.472 -27.383 -8.273 1.00 25.43 O ATOM 1367 CB ARG A 88 -10.029 -27.644 -5.381 1.00 31.31 C ATOM 1368 CG ARG A 88 -9.642 -26.871 -4.129 1.00 52.12 C ATOM 1369 CD ARG A 88 -10.816 -26.738 -3.175 1.00 71.52 C ATOM 1370 NE ARG A 88 -10.380 -26.519 -1.798 1.00 23.12 N ATOM 1371 CZ ARG A 88 -11.166 -26.666 -0.731 1.00 41.42 C ATOM 1372 NH1 ARG A 88 -12.444 -27.003 -0.882 1.00 72.12 N ATOM 1373 NH2 ARG A 88 -10.668 -26.490 0.487 1.00 4.05 N ATOM 0 H ARG A 88 -12.062 -28.572 -6.386 1.00 61.03 H new ATOM 0 HA ARG A 88 -11.223 -25.939 -5.919 1.00 74.21 H new ATOM 0 HB2 ARG A 88 -10.588 -28.532 -5.085 1.00 31.31 H new ATOM 0 HB3 ARG A 88 -9.120 -27.989 -5.873 1.00 31.31 H new ATOM 0 HG2 ARG A 88 -8.818 -27.378 -3.626 1.00 52.12 H new ATOM 0 HG3 ARG A 88 -9.284 -25.880 -4.408 1.00 52.12 H new ATOM 0 HD2 ARG A 88 -11.448 -25.908 -3.491 1.00 71.52 H new ATOM 0 HD3 ARG A 88 -11.426 -27.640 -3.223 1.00 71.52 H new ATOM 0 HE ARG A 88 -9.413 -26.236 -1.643 1.00 23.12 H new ATOM 0 HH11 ARG A 88 -12.826 -27.150 -1.816 1.00 72.12 H new ATOM 0 HH12 ARG A 88 -13.042 -27.115 -0.063 1.00 72.12 H new ATOM 0 HH21 ARG A 88 -9.686 -26.243 0.605 1.00 4.05 H new ATOM 0 HH22 ARG A 88 -11.268 -26.602 1.304 1.00 4.05 H new ATOM 1387 N ALA A 89 -9.870 -25.211 -7.872 1.00 21.44 N ATOM 1388 CA ALA A 89 -9.168 -24.763 -9.061 1.00 52.31 C ATOM 1389 C ALA A 89 -7.653 -24.862 -8.895 1.00 4.30 C ATOM 1390 O ALA A 89 -7.038 -24.060 -8.190 1.00 14.10 O ATOM 1391 CB ALA A 89 -9.588 -23.346 -9.417 1.00 33.23 C ATOM 0 H ALA A 89 -10.239 -24.460 -7.289 1.00 21.44 H new ATOM 0 HA ALA A 89 -9.443 -25.425 -9.882 1.00 52.31 H new ATOM 0 HB1 ALA A 89 -9.054 -23.022 -10.310 1.00 33.23 H new ATOM 0 HB2 ALA A 89 -10.661 -23.321 -9.606 1.00 33.23 H new ATOM 0 HB3 ALA A 89 -9.350 -22.677 -8.590 1.00 33.23 H new ATOM 1397 N VAL A 90 -7.073 -25.870 -9.542 1.00 41.55 N ATOM 1398 CA VAL A 90 -5.627 -26.084 -9.549 1.00 54.11 C ATOM 1399 C VAL A 90 -4.904 -24.850 -10.072 1.00 52.31 C ATOM 1400 O VAL A 90 -5.382 -24.213 -10.994 1.00 31.22 O ATOM 1401 CB VAL A 90 -5.259 -27.307 -10.424 1.00 53.25 C ATOM 1402 CG1 VAL A 90 -3.758 -27.559 -10.427 1.00 74.40 C ATOM 1403 CG2 VAL A 90 -6.007 -28.546 -9.953 1.00 70.03 C ATOM 0 H VAL A 90 -7.594 -26.564 -10.078 1.00 41.55 H new ATOM 0 HA VAL A 90 -5.313 -26.273 -8.523 1.00 54.11 H new ATOM 0 HB VAL A 90 -5.560 -27.085 -11.448 1.00 53.25 H new ATOM 0 HG11 VAL A 90 -3.536 -28.425 -11.051 1.00 74.40 H new ATOM 0 HG12 VAL A 90 -3.243 -26.684 -10.823 1.00 74.40 H new ATOM 0 HG13 VAL A 90 -3.419 -27.749 -9.409 1.00 74.40 H new ATOM 0 HG21 VAL A 90 -5.735 -29.395 -10.580 1.00 70.03 H new ATOM 0 HG22 VAL A 90 -5.741 -28.760 -8.918 1.00 70.03 H new ATOM 0 HG23 VAL A 90 -7.081 -28.372 -10.024 1.00 70.03 H new