USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 631 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 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0466) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc=-0.00724 (180deg=-0.202) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 18 MET CE :methyl -155:sc= -0.243 (180deg=-1.02) USER MOD Single : A 25 SER OG : rot 27:sc= 0.222 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 27 SER OG : rot 43:sc= 0.155 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.0782 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0796 K(o=-0.08,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 13:sc= 0.814 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00731) USER MOD Single : A 57 GLN : amide:sc=-0.00631 K(o=-0.0063,f=-2.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -0.0179 (180deg=-1.17) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.905 USER MOD Single : A 88 THR OG1 : rot -33:sc= 0.159! USER MOD Single : A 89 SER OG : rot -163:sc= -0.562 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 0.304 17.290 -6.107 1.00 0.00 N ATOM 101 CA GLY A 10 -0.291 15.968 -6.036 1.00 0.00 C ATOM 102 C GLY A 10 0.741 14.861 -6.126 1.00 0.00 C ATOM 103 O GLY A 10 1.928 15.125 -6.320 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.842 15.871 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.013 15.854 -6.845 1.00 0.00 H new ATOM 107 N ILE A 11 0.289 13.620 -5.983 1.00 0.00 N ATOM 108 CA ILE A 11 1.182 12.470 -6.049 1.00 0.00 C ATOM 109 C ILE A 11 2.003 12.484 -7.334 1.00 0.00 C ATOM 110 O ILE A 11 1.452 12.504 -8.435 1.00 0.00 O ATOM 111 CB ILE A 11 0.402 11.145 -5.965 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.472 11.121 -4.709 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.360 9.964 -5.974 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.859 11.684 -4.926 1.00 0.00 C ATOM 0 H ILE A 11 -0.690 13.385 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 11 1.852 12.542 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.247 11.067 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.557 10.094 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.023 11.689 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.793 9.035 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.942 9.975 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.032 10.034 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.422 11.635 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.784 12.722 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.373 11.101 -5.691 1.00 0.00 H new ATOM 126 N THR A 12 3.324 12.472 -7.187 1.00 0.00 N ATOM 127 CA THR A 12 4.221 12.483 -8.335 1.00 0.00 C ATOM 128 C THR A 12 4.503 11.067 -8.826 1.00 0.00 C ATOM 129 O THR A 12 4.763 10.849 -10.009 1.00 0.00 O ATOM 130 CB THR A 12 5.557 13.172 -7.998 1.00 0.00 C ATOM 131 OG1 THR A 12 6.482 13.001 -9.077 1.00 0.00 O ATOM 132 CG2 THR A 12 6.152 12.604 -6.719 1.00 0.00 C ATOM 0 H THR A 12 3.796 12.455 -6.283 1.00 0.00 H new ATOM 0 HA THR A 12 3.719 13.045 -9.122 1.00 0.00 H new ATOM 0 HB THR A 12 5.365 14.235 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.328 13.443 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.095 13.106 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.458 12.762 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.330 11.536 -6.844 1.00 0.00 H new ATOM 140 N LYS A 13 4.449 10.107 -7.909 1.00 0.00 N ATOM 141 CA LYS A 13 4.696 8.710 -8.248 1.00 0.00 C ATOM 142 C LYS A 13 3.446 7.866 -8.021 1.00 0.00 C ATOM 143 O LYS A 13 3.405 7.033 -7.115 1.00 0.00 O ATOM 144 CB LYS A 13 5.855 8.159 -7.414 1.00 0.00 C ATOM 145 CG LYS A 13 6.129 6.684 -7.653 1.00 0.00 C ATOM 146 CD LYS A 13 7.589 6.341 -7.408 1.00 0.00 C ATOM 147 CE LYS A 13 7.804 4.837 -7.344 1.00 0.00 C ATOM 148 NZ LYS A 13 7.308 4.260 -6.063 1.00 0.00 N ATOM 0 H LYS A 13 4.236 10.271 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 13 4.960 8.659 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.757 8.729 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.636 8.313 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.498 6.085 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.860 6.424 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.202 6.764 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.920 6.797 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.291 4.361 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.866 4.617 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.621 3.272 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.687 4.809 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.269 4.296 -6.045 1.00 0.00 H new ATOM 162 N ARG A 14 2.431 8.085 -8.850 1.00 0.00 N ATOM 163 CA ARG A 14 1.181 7.344 -8.739 1.00 0.00 C ATOM 164 C ARG A 14 1.442 5.893 -8.345 1.00 0.00 C ATOM 165 O ARG A 14 2.450 5.304 -8.737 1.00 0.00 O ATOM 166 CB ARG A 14 0.414 7.394 -10.062 1.00 0.00 C ATOM 167 CG ARG A 14 1.142 6.719 -11.213 1.00 0.00 C ATOM 168 CD ARG A 14 0.492 7.041 -12.550 1.00 0.00 C ATOM 169 NE ARG A 14 1.036 8.259 -13.144 1.00 0.00 N ATOM 170 CZ ARG A 14 0.618 8.763 -14.300 1.00 0.00 C ATOM 171 NH1 ARG A 14 -0.344 8.157 -14.982 1.00 0.00 N ATOM 172 NH2 ARG A 14 1.163 9.876 -14.776 1.00 0.00 N ATOM 0 H ARG A 14 2.450 8.770 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 14 0.579 7.812 -7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.557 6.917 -9.928 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.225 8.435 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.183 7.043 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.146 5.640 -11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.640 6.206 -13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.583 7.154 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 14 1.777 8.750 -12.644 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.765 7.302 -14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.663 8.546 -15.869 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.903 10.345 -14.254 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.841 10.262 -15.664 1.00 0.00 H new ATOM 186 N LEU A 15 0.528 5.323 -7.567 1.00 0.00 N ATOM 187 CA LEU A 15 0.659 3.941 -7.119 1.00 0.00 C ATOM 188 C LEU A 15 0.692 2.984 -8.306 1.00 0.00 C ATOM 189 O LEU A 15 0.212 3.308 -9.393 1.00 0.00 O ATOM 190 CB LEU A 15 -0.497 3.575 -6.186 1.00 0.00 C ATOM 191 CG LEU A 15 -0.442 4.174 -4.781 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.804 4.091 -4.111 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.612 3.467 -3.941 1.00 0.00 C ATOM 0 H LEU A 15 -0.312 5.797 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 15 1.600 3.849 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.429 3.888 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.534 2.489 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.166 5.225 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.745 4.522 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.534 4.643 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.111 3.048 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.637 3.906 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.366 2.408 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.588 3.580 -4.412 1.00 0.00 H new ATOM 205 N LYS A 16 1.261 1.803 -8.091 1.00 0.00 N ATOM 206 CA LYS A 16 1.354 0.796 -9.142 1.00 0.00 C ATOM 207 C LYS A 16 0.750 -0.527 -8.682 1.00 0.00 C ATOM 208 O LYS A 16 0.959 -0.956 -7.547 1.00 0.00 O ATOM 209 CB LYS A 16 2.815 0.588 -9.549 1.00 0.00 C ATOM 210 CG LYS A 16 3.021 -0.580 -10.497 1.00 0.00 C ATOM 211 CD LYS A 16 4.479 -0.715 -10.907 1.00 0.00 C ATOM 212 CE LYS A 16 4.671 -1.832 -11.921 1.00 0.00 C ATOM 213 NZ LYS A 16 3.987 -1.535 -13.210 1.00 0.00 N ATOM 0 H LYS A 16 1.665 1.519 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 16 0.790 1.153 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.185 1.498 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.414 0.428 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.690 -1.501 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.404 -0.443 -11.385 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.828 0.227 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.089 -0.913 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.736 -1.980 -12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.284 -2.765 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.329 -2.189 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.960 -1.652 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.194 -0.556 -13.495 1.00 0.00 H new ATOM 227 N THR A 17 0.002 -1.172 -9.572 1.00 0.00 N ATOM 228 CA THR A 17 -0.632 -2.446 -9.258 1.00 0.00 C ATOM 229 C THR A 17 0.401 -3.482 -8.828 1.00 0.00 C ATOM 230 O THR A 17 1.484 -3.568 -9.404 1.00 0.00 O ATOM 231 CB THR A 17 -1.420 -2.994 -10.463 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.467 -2.084 -10.817 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.013 -4.359 -10.147 1.00 0.00 C ATOM 0 H THR A 17 -0.179 -0.832 -10.517 1.00 0.00 H new ATOM 0 HA THR A 17 -1.323 -2.261 -8.435 1.00 0.00 H new ATOM 0 HB THR A 17 -0.732 -3.100 -11.301 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.962 -2.438 -11.585 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.565 -4.725 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.211 -5.057 -9.906 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.689 -4.274 -9.296 1.00 0.00 H new ATOM 241 N MET A 18 0.056 -4.267 -7.812 1.00 0.00 N ATOM 242 CA MET A 18 0.954 -5.299 -7.306 1.00 0.00 C ATOM 243 C MET A 18 0.208 -6.613 -7.097 1.00 0.00 C ATOM 244 O MET A 18 -0.765 -6.672 -6.347 1.00 0.00 O ATOM 245 CB MET A 18 1.595 -4.848 -5.992 1.00 0.00 C ATOM 246 CG MET A 18 2.758 -3.888 -6.182 1.00 0.00 C ATOM 247 SD MET A 18 4.173 -4.662 -6.989 1.00 0.00 S ATOM 248 CE MET A 18 4.522 -6.000 -5.851 1.00 0.00 C ATOM 0 H MET A 18 -0.838 -4.208 -7.324 1.00 0.00 H new ATOM 0 HA MET A 18 1.737 -5.460 -8.047 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.837 -4.369 -5.373 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.944 -5.725 -5.447 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.427 -3.036 -6.776 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.066 -3.500 -5.211 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.570 -6.286 -5.936 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.316 -5.674 -4.832 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.892 -6.856 -6.092 1.00 0.00 H new ATOM 258 N GLU A 19 0.672 -7.665 -7.765 1.00 0.00 N ATOM 259 CA GLU A 19 0.047 -8.977 -7.652 1.00 0.00 C ATOM 260 C GLU A 19 0.944 -9.943 -6.884 1.00 0.00 C ATOM 261 O GLU A 19 2.147 -10.024 -7.135 1.00 0.00 O ATOM 262 CB GLU A 19 -0.258 -9.543 -9.041 1.00 0.00 C ATOM 263 CG GLU A 19 -0.803 -10.961 -9.015 1.00 0.00 C ATOM 264 CD GLU A 19 0.265 -11.991 -8.705 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.378 -11.876 -9.260 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.011 -12.912 -7.908 1.00 0.00 O ATOM 0 H GLU A 19 1.478 -7.634 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.887 -8.859 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.980 -8.895 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.653 -9.524 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.595 -11.028 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.254 -11.190 -9.980 1.00 0.00 H new ATOM 273 N VAL A 20 0.351 -10.674 -5.946 1.00 0.00 N ATOM 274 CA VAL A 20 1.095 -11.635 -5.140 1.00 0.00 C ATOM 275 C VAL A 20 0.232 -12.841 -4.787 1.00 0.00 C ATOM 276 O VAL A 20 -0.988 -12.815 -4.953 1.00 0.00 O ATOM 277 CB VAL A 20 1.618 -10.993 -3.842 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.487 -9.785 -4.155 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.459 -10.605 -2.936 1.00 0.00 C ATOM 0 H VAL A 20 -0.643 -10.619 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 20 1.943 -11.963 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 20 2.232 -11.725 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.847 -9.345 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.337 -10.096 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.901 -9.047 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.846 -10.153 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.182 -9.890 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.119 -11.494 -2.683 1.00 0.00 H new ATOM 289 N LEU A 21 0.873 -13.897 -4.298 1.00 0.00 N ATOM 290 CA LEU A 21 0.164 -15.114 -3.919 1.00 0.00 C ATOM 291 C LEU A 21 -0.328 -15.032 -2.478 1.00 0.00 C ATOM 292 O LEU A 21 0.373 -14.528 -1.601 1.00 0.00 O ATOM 293 CB LEU A 21 1.073 -16.332 -4.091 1.00 0.00 C ATOM 294 CG LEU A 21 0.375 -17.647 -4.442 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.703 -17.968 -3.419 1.00 0.00 C ATOM 296 CD2 LEU A 21 -0.218 -17.578 -5.842 1.00 0.00 C ATOM 0 H LEU A 21 1.882 -13.935 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.702 -15.219 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.800 -16.110 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.632 -16.476 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 21 1.115 -18.447 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.189 -18.907 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.251 -18.060 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.443 -17.167 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.711 -18.522 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.945 -16.768 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.577 -17.395 -6.565 1.00 0.00 H new ATOM 308 N GLU A 22 -1.536 -15.534 -2.240 1.00 0.00 N ATOM 309 CA GLU A 22 -2.120 -15.518 -0.904 1.00 0.00 C ATOM 310 C GLU A 22 -1.104 -15.974 0.139 1.00 0.00 C ATOM 311 O GLU A 22 -0.611 -17.101 0.090 1.00 0.00 O ATOM 312 CB GLU A 22 -3.358 -16.416 -0.854 1.00 0.00 C ATOM 313 CG GLU A 22 -3.961 -16.543 0.535 1.00 0.00 C ATOM 314 CD GLU A 22 -5.062 -17.584 0.599 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.826 -18.727 0.155 1.00 0.00 O ATOM 316 OE2 GLU A 22 -6.160 -17.256 1.096 1.00 0.00 O ATOM 0 H GLU A 22 -2.129 -15.956 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.414 -14.494 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.112 -16.019 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.092 -17.408 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.177 -16.805 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.361 -15.577 0.843 1.00 0.00 H new ATOM 323 N GLY A 23 -0.795 -15.090 1.083 1.00 0.00 N ATOM 324 CA GLY A 23 0.160 -15.419 2.124 1.00 0.00 C ATOM 325 C GLY A 23 1.443 -14.620 2.008 1.00 0.00 C ATOM 326 O GLY A 23 2.047 -14.255 3.016 1.00 0.00 O ATOM 0 H GLY A 23 -1.190 -14.151 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.292 -15.235 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.393 -16.483 2.076 1.00 0.00 H new ATOM 330 N GLU A 24 1.860 -14.348 0.775 1.00 0.00 N ATOM 331 CA GLU A 24 3.080 -13.588 0.532 1.00 0.00 C ATOM 332 C GLU A 24 2.996 -12.205 1.170 1.00 0.00 C ATOM 333 O GLU A 24 2.013 -11.873 1.831 1.00 0.00 O ATOM 334 CB GLU A 24 3.334 -13.455 -0.971 1.00 0.00 C ATOM 335 CG GLU A 24 3.976 -14.684 -1.592 1.00 0.00 C ATOM 336 CD GLU A 24 4.539 -14.413 -2.973 1.00 0.00 C ATOM 337 OE1 GLU A 24 3.783 -13.919 -3.836 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.736 -14.694 -3.192 1.00 0.00 O ATOM 0 H GLU A 24 1.371 -14.643 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 24 3.910 -14.128 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.388 -13.256 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.976 -12.592 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.775 -15.040 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.237 -15.483 -1.655 1.00 0.00 H new ATOM 345 N SER A 25 4.036 -11.401 0.966 1.00 0.00 N ATOM 346 CA SER A 25 4.082 -10.055 1.524 1.00 0.00 C ATOM 347 C SER A 25 4.561 -9.051 0.481 1.00 0.00 C ATOM 348 O SER A 25 5.647 -9.195 -0.083 1.00 0.00 O ATOM 349 CB SER A 25 5.003 -10.018 2.745 1.00 0.00 C ATOM 350 OG SER A 25 6.296 -10.502 2.424 1.00 0.00 O ATOM 0 H SER A 25 4.857 -11.659 0.419 1.00 0.00 H new ATOM 0 HA SER A 25 3.073 -9.780 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.076 -8.997 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.574 -10.620 3.546 1.00 0.00 H new ATOM 0 HG SER A 25 6.472 -10.358 1.471 1.00 0.00 H new ATOM 356 N CYS A 26 3.745 -8.034 0.229 1.00 0.00 N ATOM 357 CA CYS A 26 4.084 -7.004 -0.747 1.00 0.00 C ATOM 358 C CYS A 26 4.229 -5.643 -0.074 1.00 0.00 C ATOM 359 O CYS A 26 3.965 -5.499 1.119 1.00 0.00 O ATOM 360 CB CYS A 26 3.015 -6.936 -1.839 1.00 0.00 C ATOM 361 SG CYS A 26 1.360 -6.538 -1.228 1.00 0.00 S ATOM 0 H CYS A 26 2.843 -7.900 0.687 1.00 0.00 H new ATOM 0 HA CYS A 26 5.040 -7.268 -1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.309 -6.187 -2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.979 -7.894 -2.357 1.00 0.00 H new ATOM 0 HG CYS A 26 0.527 -6.501 -2.225 1.00 0.00 H new ATOM 367 N SER A 27 4.651 -4.649 -0.848 1.00 0.00 N ATOM 368 CA SER A 27 4.836 -3.300 -0.326 1.00 0.00 C ATOM 369 C SER A 27 4.435 -2.255 -1.363 1.00 0.00 C ATOM 370 O SER A 27 4.964 -2.233 -2.475 1.00 0.00 O ATOM 371 CB SER A 27 6.293 -3.088 0.091 1.00 0.00 C ATOM 372 OG SER A 27 7.181 -3.466 -0.947 1.00 0.00 O ATOM 0 H SER A 27 4.871 -4.752 -1.839 1.00 0.00 H new ATOM 0 HA SER A 27 4.194 -3.184 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.453 -2.041 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.507 -3.671 0.987 1.00 0.00 H new ATOM 0 HG SER A 27 6.837 -3.142 -1.806 1.00 0.00 H new ATOM 378 N PHE A 28 3.497 -1.391 -0.991 1.00 0.00 N ATOM 379 CA PHE A 28 3.023 -0.344 -1.889 1.00 0.00 C ATOM 380 C PHE A 28 3.741 0.974 -1.614 1.00 0.00 C ATOM 381 O PHE A 28 3.517 1.611 -0.586 1.00 0.00 O ATOM 382 CB PHE A 28 1.512 -0.157 -1.735 1.00 0.00 C ATOM 383 CG PHE A 28 0.703 -1.179 -2.480 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.479 -1.048 -3.841 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.164 -2.271 -1.818 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.265 -1.988 -4.529 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.581 -3.214 -2.501 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.797 -3.072 -3.858 1.00 0.00 C ATOM 0 H PHE A 28 3.050 -1.395 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 28 3.242 -0.650 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.254 -0.202 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.239 0.838 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.891 -0.201 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.328 -2.386 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.430 -1.875 -5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.994 -4.061 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.380 -3.807 -4.393 1.00 0.00 H new ATOM 398 N GLU A 29 4.605 1.375 -2.541 1.00 0.00 N ATOM 399 CA GLU A 29 5.357 2.616 -2.398 1.00 0.00 C ATOM 400 C GLU A 29 4.612 3.781 -3.042 1.00 0.00 C ATOM 401 O GLU A 29 4.069 3.653 -4.140 1.00 0.00 O ATOM 402 CB GLU A 29 6.745 2.473 -3.027 1.00 0.00 C ATOM 403 CG GLU A 29 7.572 1.347 -2.429 1.00 0.00 C ATOM 404 CD GLU A 29 8.660 0.861 -3.367 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.690 1.556 -3.492 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.481 -0.215 -3.975 1.00 0.00 O ATOM 0 H GLU A 29 4.802 0.859 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 29 5.468 2.823 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.633 2.301 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.286 3.412 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.025 1.689 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.916 0.514 -2.177 1.00 0.00 H new ATOM 413 N CYS A 30 4.590 4.916 -2.351 1.00 0.00 N ATOM 414 CA CYS A 30 3.911 6.104 -2.855 1.00 0.00 C ATOM 415 C CYS A 30 4.698 7.365 -2.515 1.00 0.00 C ATOM 416 O CYS A 30 4.956 7.654 -1.347 1.00 0.00 O ATOM 417 CB CYS A 30 2.500 6.196 -2.270 1.00 0.00 C ATOM 418 SG CYS A 30 1.335 7.123 -3.296 1.00 0.00 S ATOM 0 H CYS A 30 5.034 5.038 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 30 3.843 6.021 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.114 5.188 -2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.555 6.665 -1.288 1.00 0.00 H new ATOM 0 HG CYS A 30 0.170 7.144 -2.719 1.00 0.00 H new ATOM 424 N VAL A 31 5.079 8.114 -3.546 1.00 0.00 N ATOM 425 CA VAL A 31 5.839 9.344 -3.357 1.00 0.00 C ATOM 426 C VAL A 31 5.014 10.564 -3.751 1.00 0.00 C ATOM 427 O VAL A 31 4.346 10.569 -4.786 1.00 0.00 O ATOM 428 CB VAL A 31 7.141 9.332 -4.180 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.049 10.478 -3.760 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.852 7.995 -4.030 1.00 0.00 C ATOM 0 H VAL A 31 4.874 7.890 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 31 6.088 9.403 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 31 6.888 9.468 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.964 10.453 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.537 11.426 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.298 10.377 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.770 8.003 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.094 7.828 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.202 7.195 -4.384 1.00 0.00 H new ATOM 440 N LEU A 32 5.064 11.599 -2.919 1.00 0.00 N ATOM 441 CA LEU A 32 4.322 12.828 -3.180 1.00 0.00 C ATOM 442 C LEU A 32 5.248 13.925 -3.694 1.00 0.00 C ATOM 443 O LEU A 32 6.451 13.908 -3.435 1.00 0.00 O ATOM 444 CB LEU A 32 3.612 13.297 -1.909 1.00 0.00 C ATOM 445 CG LEU A 32 2.914 12.211 -1.090 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.614 12.712 0.314 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.636 11.760 -1.782 1.00 0.00 C ATOM 0 H LEU A 32 5.611 11.612 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 32 3.578 12.618 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.343 13.792 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.871 14.047 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 32 3.583 11.354 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.117 11.926 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.546 12.985 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.964 13.585 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.152 10.987 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.962 12.610 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.877 11.360 -2.767 1.00 0.00 H new ATOM 459 N SER A 33 4.679 14.880 -4.423 1.00 0.00 N ATOM 460 CA SER A 33 5.454 15.985 -4.975 1.00 0.00 C ATOM 461 C SER A 33 6.211 16.721 -3.874 1.00 0.00 C ATOM 462 O SER A 33 7.400 17.010 -4.009 1.00 0.00 O ATOM 463 CB SER A 33 4.536 16.958 -5.717 1.00 0.00 C ATOM 464 OG SER A 33 5.220 18.155 -6.044 1.00 0.00 O ATOM 0 H SER A 33 3.684 14.911 -4.645 1.00 0.00 H new ATOM 0 HA SER A 33 6.179 15.573 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.163 16.488 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.669 17.188 -5.098 1.00 0.00 H new ATOM 0 HG SER A 33 4.612 18.760 -6.519 1.00 0.00 H new ATOM 470 N HIS A 34 5.513 17.021 -2.783 1.00 0.00 N ATOM 471 CA HIS A 34 6.118 17.723 -1.657 1.00 0.00 C ATOM 472 C HIS A 34 6.221 16.809 -0.439 1.00 0.00 C ATOM 473 O HIS A 34 5.214 16.300 0.052 1.00 0.00 O ATOM 474 CB HIS A 34 5.303 18.968 -1.307 1.00 0.00 C ATOM 475 CG HIS A 34 5.809 19.695 -0.099 1.00 0.00 C ATOM 476 ND1 HIS A 34 4.975 20.275 0.834 1.00 0.00 N ATOM 477 CD2 HIS A 34 7.071 19.934 0.327 1.00 0.00 C ATOM 478 CE1 HIS A 34 5.703 20.840 1.780 1.00 0.00 C ATOM 479 NE2 HIS A 34 6.979 20.646 1.497 1.00 0.00 N ATOM 0 H HIS A 34 4.528 16.789 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 34 7.124 18.027 -1.948 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.309 19.648 -2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.266 18.678 -1.138 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.982 19.622 -0.163 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.320 21.371 2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.767 20.972 2.057 1.00 0.00 H new ATOM 547 N PRO A 40 0.996 14.207 8.610 1.00 0.00 N ATOM 548 CA PRO A 40 0.851 12.757 8.768 1.00 0.00 C ATOM 549 C PRO A 40 0.240 12.098 7.536 1.00 0.00 C ATOM 550 O PRO A 40 -0.288 12.776 6.655 1.00 0.00 O ATOM 551 CB PRO A 40 -0.090 12.624 9.968 1.00 0.00 C ATOM 552 CG PRO A 40 -0.867 13.895 9.983 1.00 0.00 C ATOM 553 CD PRO A 40 0.066 14.957 9.471 1.00 0.00 C ATOM 0 HA PRO A 40 1.813 12.263 8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.746 11.760 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.467 12.490 10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.753 13.818 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.211 14.130 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.468 15.726 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.588 15.460 10.285 1.00 0.00 H new ATOM 561 N ALA A 41 0.315 10.772 7.481 1.00 0.00 N ATOM 562 CA ALA A 41 -0.233 10.022 6.358 1.00 0.00 C ATOM 563 C ALA A 41 -1.231 8.972 6.835 1.00 0.00 C ATOM 564 O ALA A 41 -1.172 8.520 7.978 1.00 0.00 O ATOM 565 CB ALA A 41 0.888 9.366 5.565 1.00 0.00 C ATOM 0 H ALA A 41 0.750 10.195 8.201 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.762 10.720 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.465 8.809 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.562 10.133 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.441 8.685 6.212 1.00 0.00 H new ATOM 571 N MET A 42 -2.146 8.588 5.951 1.00 0.00 N ATOM 572 CA MET A 42 -3.157 7.591 6.282 1.00 0.00 C ATOM 573 C MET A 42 -3.185 6.478 5.239 1.00 0.00 C ATOM 574 O MET A 42 -3.315 6.739 4.043 1.00 0.00 O ATOM 575 CB MET A 42 -4.536 8.245 6.384 1.00 0.00 C ATOM 576 CG MET A 42 -5.646 7.270 6.741 1.00 0.00 C ATOM 577 SD MET A 42 -6.995 8.055 7.644 1.00 0.00 S ATOM 578 CE MET A 42 -8.400 7.135 7.020 1.00 0.00 C ATOM 0 H MET A 42 -2.208 8.952 5.000 1.00 0.00 H new ATOM 0 HA MET A 42 -2.898 7.155 7.247 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.500 9.033 7.136 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.774 8.722 5.433 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.038 6.821 5.828 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.234 6.460 7.343 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.313 7.505 7.486 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.467 7.262 5.939 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.276 6.078 7.254 1.00 0.00 H new ATOM 588 N TRP A 43 -3.062 5.239 5.700 1.00 0.00 N ATOM 589 CA TRP A 43 -3.073 4.086 4.805 1.00 0.00 C ATOM 590 C TRP A 43 -4.373 3.302 4.944 1.00 0.00 C ATOM 591 O TRP A 43 -4.785 2.954 6.051 1.00 0.00 O ATOM 592 CB TRP A 43 -1.880 3.176 5.099 1.00 0.00 C ATOM 593 CG TRP A 43 -0.612 3.626 4.437 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.405 4.333 5.011 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.229 3.401 3.076 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.398 4.562 4.089 1.00 0.00 N ATOM 597 CE2 TRP A 43 1.033 3.999 2.894 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.829 2.751 1.994 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.703 3.966 1.674 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.162 2.719 0.784 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.093 3.323 0.632 1.00 0.00 C ATOM 0 H TRP A 43 -2.954 5.006 6.687 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.999 4.451 3.781 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.723 3.132 6.177 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.114 2.164 4.769 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.426 4.664 6.039 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.266 5.069 4.265 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.796 2.282 2.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.670 4.432 1.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.616 2.220 -0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.589 3.280 -0.327 1.00 0.00 H new ATOM 612 N THR A 44 -5.016 3.025 3.814 1.00 0.00 N ATOM 613 CA THR A 44 -6.270 2.282 3.810 1.00 0.00 C ATOM 614 C THR A 44 -6.311 1.280 2.662 1.00 0.00 C ATOM 615 O THR A 44 -5.984 1.611 1.523 1.00 0.00 O ATOM 616 CB THR A 44 -7.482 3.226 3.696 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.296 4.133 2.604 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.679 4.011 4.985 1.00 0.00 C ATOM 0 H THR A 44 -4.689 3.304 2.889 1.00 0.00 H new ATOM 0 HA THR A 44 -6.324 1.747 4.758 1.00 0.00 H new ATOM 0 HB THR A 44 -8.371 2.620 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.545 3.831 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.540 4.671 4.881 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.849 3.319 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.789 4.606 5.188 1.00 0.00 H new ATOM 626 N VAL A 45 -6.717 0.052 2.969 1.00 0.00 N ATOM 627 CA VAL A 45 -6.804 -0.999 1.963 1.00 0.00 C ATOM 628 C VAL A 45 -8.032 -1.875 2.186 1.00 0.00 C ATOM 629 O VAL A 45 -8.208 -2.453 3.257 1.00 0.00 O ATOM 630 CB VAL A 45 -5.545 -1.888 1.969 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.248 -2.382 3.376 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.713 -3.055 1.009 1.00 0.00 C ATOM 0 H VAL A 45 -6.991 -0.239 3.907 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.886 -0.504 0.995 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.697 -1.291 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.356 -3.008 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.082 -1.529 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.093 -2.964 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.815 -3.672 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.571 -3.655 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.874 -2.676 -0.000 1.00 0.00 H new ATOM 642 N GLY A 46 -8.879 -1.968 1.165 1.00 0.00 N ATOM 643 CA GLY A 46 -10.080 -2.775 1.270 1.00 0.00 C ATOM 644 C GLY A 46 -11.213 -2.042 1.962 1.00 0.00 C ATOM 645 O GLY A 46 -12.372 -2.163 1.567 1.00 0.00 O ATOM 0 H GLY A 46 -8.755 -1.499 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.401 -3.075 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.853 -3.689 1.820 1.00 0.00 H new ATOM 649 N GLY A 47 -10.877 -1.281 2.999 1.00 0.00 N ATOM 650 CA GLY A 47 -11.886 -0.539 3.732 1.00 0.00 C ATOM 651 C GLY A 47 -11.641 -0.548 5.227 1.00 0.00 C ATOM 652 O GLY A 47 -12.574 -0.697 6.017 1.00 0.00 O ATOM 0 H GLY A 47 -9.924 -1.165 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.905 0.491 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.868 -0.965 3.525 1.00 0.00 H new ATOM 656 N LYS A 48 -10.381 -0.391 5.620 1.00 0.00 N ATOM 657 CA LYS A 48 -10.014 -0.383 7.031 1.00 0.00 C ATOM 658 C LYS A 48 -8.706 0.371 7.248 1.00 0.00 C ATOM 659 O LYS A 48 -7.733 0.170 6.520 1.00 0.00 O ATOM 660 CB LYS A 48 -9.883 -1.815 7.553 1.00 0.00 C ATOM 661 CG LYS A 48 -11.176 -2.608 7.485 1.00 0.00 C ATOM 662 CD LYS A 48 -11.058 -3.933 8.219 1.00 0.00 C ATOM 663 CE LYS A 48 -12.252 -4.833 7.942 1.00 0.00 C ATOM 664 NZ LYS A 48 -12.169 -5.467 6.597 1.00 0.00 N ATOM 0 H LYS A 48 -9.596 -0.267 4.980 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.803 0.127 7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.117 -2.334 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.539 -1.786 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.986 -2.022 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.437 -2.791 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.142 -4.439 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.980 -3.750 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.307 -5.608 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.170 -4.250 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.975 -6.112 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.193 -4.730 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.281 -6.003 6.520 1.00 0.00 H new ATOM 678 N THR A 49 -8.687 1.238 8.256 1.00 0.00 N ATOM 679 CA THR A 49 -7.499 2.021 8.569 1.00 0.00 C ATOM 680 C THR A 49 -6.333 1.119 8.959 1.00 0.00 C ATOM 681 O THR A 49 -6.323 0.534 10.042 1.00 0.00 O ATOM 682 CB THR A 49 -7.767 3.017 9.713 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.899 3.834 9.395 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.552 3.898 9.960 1.00 0.00 C ATOM 0 H THR A 49 -9.482 1.415 8.870 1.00 0.00 H new ATOM 0 HA THR A 49 -7.240 2.576 7.667 1.00 0.00 H new ATOM 0 HB THR A 49 -7.973 2.448 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.064 4.463 10.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.766 4.593 10.772 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.700 3.275 10.230 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.319 4.459 9.055 1.00 0.00 H new ATOM 692 N VAL A 50 -5.351 1.010 8.069 1.00 0.00 N ATOM 693 CA VAL A 50 -4.180 0.180 8.321 1.00 0.00 C ATOM 694 C VAL A 50 -2.981 1.031 8.727 1.00 0.00 C ATOM 695 O VAL A 50 -3.009 2.255 8.615 1.00 0.00 O ATOM 696 CB VAL A 50 -3.807 -0.655 7.082 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.992 -1.493 6.626 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.317 0.246 5.959 1.00 0.00 C ATOM 0 H VAL A 50 -5.344 1.487 7.167 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.438 -0.493 9.139 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.997 -1.332 7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.709 -2.076 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.292 -2.167 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.825 -0.837 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.058 -0.362 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.104 0.949 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.437 0.797 6.292 1.00 0.00 H new ATOM 772 N PHE A 56 -0.005 -4.818 9.125 1.00 0.00 N ATOM 773 CA PHE A 56 0.178 -3.573 8.388 1.00 0.00 C ATOM 774 C PHE A 56 1.183 -2.667 9.092 1.00 0.00 C ATOM 775 O PHE A 56 0.933 -2.186 10.197 1.00 0.00 O ATOM 776 CB PHE A 56 -1.160 -2.846 8.233 1.00 0.00 C ATOM 777 CG PHE A 56 -2.133 -3.564 7.342 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.945 -3.590 5.969 1.00 0.00 C ATOM 779 CD2 PHE A 56 -3.234 -4.213 7.876 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.839 -4.249 5.147 1.00 0.00 C ATOM 781 CE2 PHE A 56 -4.131 -4.874 7.059 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.933 -4.893 5.692 1.00 0.00 C ATOM 0 HA PHE A 56 0.567 -3.819 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.609 -2.715 9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.978 -1.849 7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.091 -3.090 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.393 -4.202 8.944 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.683 -4.261 4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.986 -5.375 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.632 -5.410 5.051 1.00 0.00 H new ATOM 792 N GLN A 57 2.321 -2.440 8.444 1.00 0.00 N ATOM 793 CA GLN A 57 3.366 -1.593 9.009 1.00 0.00 C ATOM 794 C GLN A 57 3.712 -0.451 8.060 1.00 0.00 C ATOM 795 O GLN A 57 4.335 -0.661 7.020 1.00 0.00 O ATOM 796 CB GLN A 57 4.617 -2.421 9.307 1.00 0.00 C ATOM 797 CG GLN A 57 5.590 -1.733 10.251 1.00 0.00 C ATOM 798 CD GLN A 57 5.257 -1.974 11.710 1.00 0.00 C ATOM 799 OE1 GLN A 57 4.101 -1.870 12.120 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.272 -2.298 12.504 1.00 0.00 N ATOM 0 H GLN A 57 2.543 -2.830 7.528 1.00 0.00 H new ATOM 0 HA GLN A 57 2.991 -1.167 9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.317 -3.375 9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.128 -2.643 8.370 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.600 -2.090 10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.585 -0.661 10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.215 -2.373 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.108 -2.472 13.496 1.00 0.00 H new ATOM 809 N ALA A 58 3.303 0.760 8.426 1.00 0.00 N ATOM 810 CA ALA A 58 3.571 1.936 7.608 1.00 0.00 C ATOM 811 C ALA A 58 4.908 2.569 7.978 1.00 0.00 C ATOM 812 O ALA A 58 5.208 2.770 9.156 1.00 0.00 O ATOM 813 CB ALA A 58 2.446 2.950 7.757 1.00 0.00 C ATOM 0 H ALA A 58 2.785 0.952 9.284 1.00 0.00 H new ATOM 0 HA ALA A 58 3.624 1.619 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.659 3.823 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.506 2.500 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.366 3.254 8.801 1.00 0.00 H new ATOM 819 N THR A 59 5.711 2.879 6.965 1.00 0.00 N ATOM 820 CA THR A 59 7.018 3.487 7.184 1.00 0.00 C ATOM 821 C THR A 59 7.250 4.652 6.228 1.00 0.00 C ATOM 822 O THR A 59 6.599 4.752 5.188 1.00 0.00 O ATOM 823 CB THR A 59 8.152 2.460 7.008 1.00 0.00 C ATOM 824 OG1 THR A 59 8.020 1.796 5.746 1.00 0.00 O ATOM 825 CG2 THR A 59 8.131 1.433 8.130 1.00 0.00 C ATOM 0 H THR A 59 5.479 2.719 5.985 1.00 0.00 H new ATOM 0 HA THR A 59 7.027 3.855 8.210 1.00 0.00 H new ATOM 0 HB THR A 59 9.102 2.992 7.041 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.746 1.146 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.941 0.718 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.260 1.938 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.177 0.906 8.123 1.00 0.00 H new ATOM 833 N ARG A 60 8.180 5.530 6.588 1.00 0.00 N ATOM 834 CA ARG A 60 8.497 6.688 5.761 1.00 0.00 C ATOM 835 C ARG A 60 10.006 6.832 5.583 1.00 0.00 C ATOM 836 O ARG A 60 10.724 7.156 6.529 1.00 0.00 O ATOM 837 CB ARG A 60 7.923 7.960 6.387 1.00 0.00 C ATOM 838 CG ARG A 60 8.193 9.215 5.573 1.00 0.00 C ATOM 839 CD ARG A 60 7.979 10.473 6.401 1.00 0.00 C ATOM 840 NE ARG A 60 8.793 11.587 5.923 1.00 0.00 N ATOM 841 CZ ARG A 60 10.112 11.647 6.064 1.00 0.00 C ATOM 842 NH1 ARG A 60 10.763 10.660 6.664 1.00 0.00 N ATOM 843 NH2 ARG A 60 10.783 12.694 5.602 1.00 0.00 N ATOM 0 H ARG A 60 8.727 5.462 7.446 1.00 0.00 H new ATOM 0 HA ARG A 60 8.045 6.538 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.846 7.841 6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.345 8.086 7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.217 9.194 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.536 9.234 4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.926 10.753 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.223 10.267 7.443 1.00 0.00 H new ATOM 0 HE ARG A 60 8.323 12.362 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.251 9.852 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.776 10.708 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.286 13.454 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.796 12.739 5.711 1.00 0.00 H new ATOM 857 N GLN A 61 10.479 6.590 4.365 1.00 0.00 N ATOM 858 CA GLN A 61 11.902 6.691 4.063 1.00 0.00 C ATOM 859 C GLN A 61 12.137 7.559 2.832 1.00 0.00 C ATOM 860 O GLN A 61 11.851 7.150 1.707 1.00 0.00 O ATOM 861 CB GLN A 61 12.498 5.300 3.843 1.00 0.00 C ATOM 862 CG GLN A 61 13.839 5.320 3.127 1.00 0.00 C ATOM 863 CD GLN A 61 14.942 5.928 3.971 1.00 0.00 C ATOM 864 OE1 GLN A 61 15.029 5.679 5.174 1.00 0.00 O ATOM 865 NE2 GLN A 61 15.794 6.731 3.343 1.00 0.00 N ATOM 0 H GLN A 61 9.897 6.322 3.571 1.00 0.00 H new ATOM 0 HA GLN A 61 12.396 7.159 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.618 4.808 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.795 4.700 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.116 4.302 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.743 5.885 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.685 6.910 2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.557 7.169 3.859 1.00 0.00 H new ATOM 874 N GLY A 62 12.659 8.762 3.052 1.00 0.00 N ATOM 875 CA GLY A 62 12.923 9.669 1.951 1.00 0.00 C ATOM 876 C GLY A 62 11.658 10.086 1.226 1.00 0.00 C ATOM 877 O GLY A 62 11.359 9.580 0.144 1.00 0.00 O ATOM 0 H GLY A 62 12.904 9.124 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.430 10.556 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.602 9.190 1.245 1.00 0.00 H new ATOM 881 N ARG A 63 10.912 11.008 1.824 1.00 0.00 N ATOM 882 CA ARG A 63 9.670 11.490 1.230 1.00 0.00 C ATOM 883 C ARG A 63 8.960 10.371 0.473 1.00 0.00 C ATOM 884 O ARG A 63 8.483 10.569 -0.645 1.00 0.00 O ATOM 885 CB ARG A 63 9.952 12.660 0.286 1.00 0.00 C ATOM 886 CG ARG A 63 10.859 12.299 -0.879 1.00 0.00 C ATOM 887 CD ARG A 63 11.478 13.537 -1.508 1.00 0.00 C ATOM 888 NE ARG A 63 12.241 13.216 -2.711 1.00 0.00 N ATOM 889 CZ ARG A 63 12.812 14.132 -3.486 1.00 0.00 C ATOM 890 NH1 ARG A 63 12.707 15.418 -3.183 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.490 13.761 -4.564 1.00 0.00 N ATOM 0 H ARG A 63 11.145 11.437 2.720 1.00 0.00 H new ATOM 0 HA ARG A 63 9.019 11.831 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.007 13.037 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.409 13.471 0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.649 11.632 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.288 11.754 -1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.691 14.249 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.131 14.024 -0.784 1.00 0.00 H new ATOM 0 HE ARG A 63 12.341 12.235 -2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.187 15.706 -2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.146 16.120 -3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.573 12.772 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.928 14.465 -5.158 1.00 0.00 H new ATOM 905 N LYS A 64 8.894 9.196 1.089 1.00 0.00 N ATOM 906 CA LYS A 64 8.243 8.045 0.476 1.00 0.00 C ATOM 907 C LYS A 64 7.571 7.173 1.532 1.00 0.00 C ATOM 908 O LYS A 64 8.203 6.765 2.507 1.00 0.00 O ATOM 909 CB LYS A 64 9.260 7.218 -0.314 1.00 0.00 C ATOM 910 CG LYS A 64 8.688 5.929 -0.879 1.00 0.00 C ATOM 911 CD LYS A 64 9.787 4.961 -1.281 1.00 0.00 C ATOM 912 CE LYS A 64 10.332 5.280 -2.665 1.00 0.00 C ATOM 913 NZ LYS A 64 11.344 6.371 -2.625 1.00 0.00 N ATOM 0 H LYS A 64 9.284 9.016 2.014 1.00 0.00 H new ATOM 0 HA LYS A 64 7.477 8.413 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.650 7.823 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.103 6.978 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.042 5.460 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.066 6.155 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.596 5.004 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.399 3.942 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.781 4.384 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.511 5.570 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.983 7.199 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.532 6.634 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.225 6.043 -3.069 1.00 0.00 H new ATOM 927 N TYR A 65 6.289 6.889 1.330 1.00 0.00 N ATOM 928 CA TYR A 65 5.533 6.066 2.266 1.00 0.00 C ATOM 929 C TYR A 65 5.501 4.611 1.809 1.00 0.00 C ATOM 930 O TYR A 65 5.150 4.315 0.666 1.00 0.00 O ATOM 931 CB TYR A 65 4.106 6.598 2.408 1.00 0.00 C ATOM 932 CG TYR A 65 4.012 7.866 3.226 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.279 7.859 4.590 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.656 9.073 2.635 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.193 9.015 5.341 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.569 10.234 3.378 1.00 0.00 C ATOM 937 CZ TYR A 65 3.838 10.200 4.731 1.00 0.00 C ATOM 938 OH TYR A 65 3.753 11.354 5.475 1.00 0.00 O ATOM 0 H TYR A 65 5.752 7.216 0.527 1.00 0.00 H new ATOM 0 HA TYR A 65 6.030 6.113 3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.696 6.785 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.485 5.830 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.559 6.933 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.444 9.103 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.403 8.991 6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.292 11.163 2.903 1.00 0.00 H new ATOM 0 HH TYR A 65 3.493 12.099 4.894 1.00 0.00 H new ATOM 948 N ILE A 66 5.871 3.706 2.709 1.00 0.00 N ATOM 949 CA ILE A 66 5.884 2.282 2.400 1.00 0.00 C ATOM 950 C ILE A 66 4.962 1.508 3.336 1.00 0.00 C ATOM 951 O ILE A 66 5.167 1.487 4.550 1.00 0.00 O ATOM 952 CB ILE A 66 7.305 1.697 2.499 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.271 2.495 1.620 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.304 0.230 2.096 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.885 3.685 2.323 1.00 0.00 C ATOM 0 H ILE A 66 6.166 3.934 3.658 1.00 0.00 H new ATOM 0 HA ILE A 66 5.528 2.179 1.375 1.00 0.00 H new ATOM 0 HB ILE A 66 7.640 1.769 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.068 1.835 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.741 2.841 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.316 -0.169 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.643 -0.329 2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.952 0.135 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.558 4.203 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.096 4.366 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.444 3.344 3.195 1.00 0.00 H new ATOM 967 N LEU A 67 3.946 0.871 2.764 1.00 0.00 N ATOM 968 CA LEU A 67 2.992 0.093 3.547 1.00 0.00 C ATOM 969 C LEU A 67 3.246 -1.402 3.384 1.00 0.00 C ATOM 970 O LEU A 67 2.706 -2.040 2.480 1.00 0.00 O ATOM 971 CB LEU A 67 1.561 0.428 3.123 1.00 0.00 C ATOM 972 CG LEU A 67 0.451 -0.333 3.848 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.322 0.150 5.284 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.871 -0.178 3.110 1.00 0.00 C ATOM 0 H LEU A 67 3.762 0.878 1.761 1.00 0.00 H new ATOM 0 HA LEU A 67 3.123 0.353 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.400 1.496 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.466 0.238 2.054 1.00 0.00 H new ATOM 0 HG LEU A 67 0.713 -1.391 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.473 -0.403 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.263 -0.013 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.083 1.214 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.650 -0.726 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.139 0.877 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.772 -0.574 2.099 1.00 0.00 H new ATOM 986 N VAL A 68 4.070 -1.957 4.267 1.00 0.00 N ATOM 987 CA VAL A 68 4.393 -3.378 4.224 1.00 0.00 C ATOM 988 C VAL A 68 3.169 -4.229 4.542 1.00 0.00 C ATOM 989 O VAL A 68 2.748 -4.325 5.695 1.00 0.00 O ATOM 990 CB VAL A 68 5.519 -3.728 5.215 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.831 -5.216 5.165 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.763 -2.904 4.919 1.00 0.00 C ATOM 0 H VAL A 68 4.526 -1.444 5.021 1.00 0.00 H new ATOM 0 HA VAL A 68 4.730 -3.595 3.211 1.00 0.00 H new ATOM 0 HB VAL A 68 5.181 -3.486 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.629 -5.444 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.939 -5.784 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.149 -5.487 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.549 -3.164 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.105 -3.113 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.527 -1.844 5.011 1.00 0.00 H new ATOM 1002 N VAL A 69 2.601 -4.848 3.511 1.00 0.00 N ATOM 1003 CA VAL A 69 1.426 -5.694 3.680 1.00 0.00 C ATOM 1004 C VAL A 69 1.824 -7.135 3.978 1.00 0.00 C ATOM 1005 O VAL A 69 2.324 -7.844 3.105 1.00 0.00 O ATOM 1006 CB VAL A 69 0.532 -5.668 2.426 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.668 -6.585 2.607 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.085 -4.247 2.119 1.00 0.00 C ATOM 0 H VAL A 69 2.936 -4.779 2.550 1.00 0.00 H new ATOM 0 HA VAL A 69 0.866 -5.294 4.525 1.00 0.00 H new ATOM 0 HB VAL A 69 1.114 -6.032 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.288 -6.554 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.324 -7.606 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.253 -6.254 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.546 -4.248 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.480 -3.853 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.959 -3.621 1.943 1.00 0.00 H new ATOM 1018 N ARG A 70 1.598 -7.561 5.216 1.00 0.00 N ATOM 1019 CA ARG A 70 1.934 -8.918 5.630 1.00 0.00 C ATOM 1020 C ARG A 70 0.684 -9.791 5.698 1.00 0.00 C ATOM 1021 O ARG A 70 -0.390 -9.324 6.078 1.00 0.00 O ATOM 1022 CB ARG A 70 2.632 -8.901 6.992 1.00 0.00 C ATOM 1023 CG ARG A 70 3.898 -8.062 7.016 1.00 0.00 C ATOM 1024 CD ARG A 70 4.776 -8.413 8.207 1.00 0.00 C ATOM 1025 NE ARG A 70 4.081 -8.216 9.476 1.00 0.00 N ATOM 1026 CZ ARG A 70 4.693 -8.207 10.656 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.005 -8.382 10.727 1.00 0.00 N ATOM 1028 NH2 ARG A 70 3.991 -8.021 11.767 1.00 0.00 N ATOM 0 H ARG A 70 1.184 -6.986 5.950 1.00 0.00 H new ATOM 0 HA ARG A 70 2.611 -9.340 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.939 -8.519 7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.878 -9.924 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.456 -8.217 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.635 -7.005 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.097 -9.452 8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.676 -7.799 8.187 1.00 0.00 H new ATOM 0 HE ARG A 70 3.071 -8.078 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.547 -8.524 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.472 -8.375 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.981 -7.885 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.461 -8.014 12.672 1.00 0.00 H new ATOM 1042 N GLU A 71 0.833 -11.059 5.327 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.285 -11.995 5.345 1.00 0.00 C ATOM 1044 C GLU A 71 -1.414 -11.512 4.440 1.00 0.00 C ATOM 1045 O GLU A 71 -2.577 -11.482 4.843 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.803 -12.178 6.773 1.00 0.00 C ATOM 1047 CG GLU A 71 -0.069 -13.255 7.554 1.00 0.00 C ATOM 1048 CD GLU A 71 -0.516 -14.654 7.180 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -0.501 -14.980 5.974 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -0.881 -15.424 8.093 1.00 0.00 O ATOM 0 H GLU A 71 1.716 -11.461 5.011 1.00 0.00 H new ATOM 0 HA GLU A 71 0.072 -12.954 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.716 -11.231 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.864 -12.427 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.002 -13.160 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.231 -13.099 8.621 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.063 -11.134 3.216 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.046 -10.653 2.253 1.00 0.00 C ATOM 1059 C ALA A 72 -3.180 -11.657 2.079 1.00 0.00 C ATOM 1060 O ALA A 72 -2.945 -12.859 1.958 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.379 -10.370 0.914 1.00 0.00 C ATOM 0 H ALA A 72 -0.105 -11.151 2.867 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.472 -9.726 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.125 -10.012 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.608 -9.611 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.926 -11.285 0.533 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.411 -11.155 2.068 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.582 -12.009 1.908 1.00 0.00 C ATOM 1069 C ALA A 73 -6.366 -11.635 0.655 1.00 0.00 C ATOM 1070 O ALA A 73 -6.288 -10.512 0.156 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.474 -11.917 3.138 1.00 0.00 C ATOM 0 H ALA A 73 -4.623 -10.162 2.168 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.239 -13.038 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.344 -12.559 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.916 -12.239 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.801 -10.886 3.274 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.141 -12.597 0.132 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.954 -12.392 -1.070 1.00 0.00 C ATOM 1079 C PRO A 74 -9.125 -11.447 -0.824 1.00 0.00 C ATOM 1080 O PRO A 74 -9.852 -11.088 -1.751 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.462 -13.798 -1.399 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.445 -14.521 -0.096 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.283 -13.959 0.674 1.00 0.00 C ATOM 0 HA PRO A 74 -7.381 -11.931 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.466 -13.767 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.822 -14.289 -2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.380 -14.373 0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.331 -15.594 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.480 -13.946 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.378 -14.548 0.523 1.00 0.00 H new ATOM 1091 N SER A 75 -9.303 -11.047 0.431 1.00 0.00 N ATOM 1092 CA SER A 75 -10.389 -10.146 0.800 1.00 0.00 C ATOM 1093 C SER A 75 -9.887 -8.710 0.915 1.00 0.00 C ATOM 1094 O SER A 75 -10.607 -7.762 0.601 1.00 0.00 O ATOM 1095 CB SER A 75 -11.018 -10.586 2.123 1.00 0.00 C ATOM 1096 OG SER A 75 -12.156 -9.800 2.433 1.00 0.00 O ATOM 0 H SER A 75 -8.709 -11.333 1.210 1.00 0.00 H new ATOM 0 HA SER A 75 -11.145 -10.187 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.303 -11.636 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.284 -10.501 2.924 1.00 0.00 H new ATOM 0 HG SER A 75 -12.541 -10.102 3.282 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.647 -8.557 1.366 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.047 -7.238 1.522 1.00 0.00 C ATOM 1104 C ASP A 76 -7.831 -6.575 0.165 1.00 0.00 C ATOM 1105 O ASP A 76 -7.817 -5.349 0.057 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.716 -7.344 2.269 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.904 -7.542 3.761 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.475 -6.642 4.412 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.480 -8.597 4.277 1.00 0.00 O ATOM 0 H ASP A 76 -8.038 -9.331 1.630 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.733 -6.621 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.141 -8.177 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.132 -6.440 2.096 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.661 -7.394 -0.867 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.447 -6.888 -2.217 1.00 0.00 C ATOM 1116 C ALA A 77 -8.726 -6.282 -2.786 1.00 0.00 C ATOM 1117 O ALA A 77 -9.747 -6.209 -2.103 1.00 0.00 O ATOM 1118 CB ALA A 77 -6.939 -7.999 -3.123 1.00 0.00 C ATOM 0 H ALA A 77 -7.667 -8.411 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.694 -6.101 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.784 -7.607 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.996 -8.383 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.673 -8.804 -3.157 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.662 -5.848 -4.041 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.822 -5.253 -4.680 1.00 0.00 C ATOM 1126 C GLY A 78 -9.597 -3.802 -5.053 1.00 0.00 C ATOM 1127 O GLY A 78 -9.732 -3.426 -6.217 1.00 0.00 O ATOM 0 H GLY A 78 -7.828 -5.898 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.071 -5.821 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.679 -5.324 -4.010 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.255 -2.983 -4.063 1.00 0.00 N ATOM 1132 CA GLU A 79 -9.014 -1.564 -4.294 1.00 0.00 C ATOM 1133 C GLU A 79 -8.268 -0.940 -3.119 1.00 0.00 C ATOM 1134 O GLU A 79 -8.731 -0.988 -1.979 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.337 -0.830 -4.520 1.00 0.00 C ATOM 1136 CG GLU A 79 -10.169 0.653 -4.809 1.00 0.00 C ATOM 1137 CD GLU A 79 -11.495 1.382 -4.908 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -12.315 1.250 -3.975 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.713 2.084 -5.917 1.00 0.00 O ATOM 0 H GLU A 79 -9.139 -3.278 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.396 -1.467 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.864 -1.296 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.965 -0.951 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.567 1.107 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.620 0.778 -5.742 1.00 0.00 H new ATOM 1146 N VAL A 80 -7.109 -0.354 -3.404 1.00 0.00 N ATOM 1147 CA VAL A 80 -6.298 0.280 -2.372 1.00 0.00 C ATOM 1148 C VAL A 80 -6.494 1.792 -2.371 1.00 0.00 C ATOM 1149 O VAL A 80 -6.807 2.389 -3.401 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.802 -0.032 -2.563 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.971 0.658 -1.492 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.565 -1.535 -2.547 1.00 0.00 C ATOM 0 H VAL A 80 -6.711 -0.305 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.627 -0.127 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.490 0.352 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.917 0.426 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.118 1.736 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.282 0.307 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.503 -1.737 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.893 -1.945 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.130 -2.001 -3.355 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.309 2.406 -1.206 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.464 3.849 -1.070 1.00 0.00 C ATOM 1164 C VAL A 81 -5.484 4.413 -0.048 1.00 0.00 C ATOM 1165 O VAL A 81 -5.337 3.875 1.050 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.898 4.223 -0.651 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.082 5.733 -0.663 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.912 3.546 -1.561 1.00 0.00 C ATOM 0 H VAL A 81 -6.052 1.926 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.255 4.283 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.065 3.870 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.101 5.978 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.380 6.191 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.897 6.114 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.920 3.821 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.749 3.867 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.795 2.464 -1.495 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.814 5.501 -0.415 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.847 6.139 0.471 1.00 0.00 C ATOM 1180 C PHE A 82 -4.017 7.655 0.460 1.00 0.00 C ATOM 1181 O PHE A 82 -3.770 8.311 -0.551 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.422 5.771 0.053 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.369 6.624 0.700 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.939 6.358 1.990 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.809 7.693 0.018 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.031 7.141 2.588 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.161 8.479 0.612 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.580 8.204 1.899 1.00 0.00 C ATOM 0 H PHE A 82 -4.923 5.959 -1.320 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.026 5.779 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.237 4.726 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.335 5.859 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.367 5.529 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.134 7.914 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.359 6.921 3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.591 9.308 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.335 8.819 2.365 1.00 0.00 H new ATOM 1198 N SER A 83 -4.442 8.204 1.594 1.00 0.00 N ATOM 1199 CA SER A 83 -4.650 9.643 1.715 1.00 0.00 C ATOM 1200 C SER A 83 -3.511 10.292 2.495 1.00 0.00 C ATOM 1201 O SER A 83 -2.847 9.643 3.303 1.00 0.00 O ATOM 1202 CB SER A 83 -5.985 9.930 2.406 1.00 0.00 C ATOM 1203 OG SER A 83 -6.046 9.305 3.676 1.00 0.00 O ATOM 0 H SER A 83 -4.649 7.675 2.441 1.00 0.00 H new ATOM 0 HA SER A 83 -4.669 10.069 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.115 11.006 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.805 9.574 1.782 1.00 0.00 H new ATOM 0 HG SER A 83 -6.908 9.505 4.098 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.290 11.579 2.246 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.233 12.319 2.924 1.00 0.00 C ATOM 1211 C VAL A 84 -2.419 13.823 2.756 1.00 0.00 C ATOM 1212 O VAL A 84 -2.637 14.312 1.647 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.842 11.923 2.394 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.802 12.017 0.876 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.235 12.798 3.019 1.00 0.00 C ATOM 0 H VAL A 84 -3.830 12.131 1.579 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.297 12.064 3.982 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.646 10.888 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.188 11.734 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.547 11.345 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.019 13.040 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.211 12.505 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.045 13.842 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.221 12.675 4.102 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.332 14.552 3.864 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.492 16.001 3.840 1.00 0.00 C ATOM 1227 C ARG A 85 -3.651 16.405 2.934 1.00 0.00 C ATOM 1228 O ARG A 85 -3.644 17.485 2.345 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.201 16.670 3.364 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.946 16.511 1.874 1.00 0.00 C ATOM 1231 CD ARG A 85 -0.004 17.584 1.352 1.00 0.00 C ATOM 1232 NE ARG A 85 1.211 17.684 2.157 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.008 18.747 2.155 1.00 0.00 C ATOM 1234 NH1 ARG A 85 1.720 19.795 1.396 1.00 0.00 N ATOM 1235 NH2 ARG A 85 3.096 18.763 2.915 1.00 0.00 N ATOM 0 H ARG A 85 -2.152 14.163 4.789 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.713 16.334 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.242 17.732 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.360 16.250 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.521 15.526 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.892 16.562 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.263 17.361 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.517 18.546 1.348 1.00 0.00 H new ATOM 0 HE ARG A 85 1.461 16.895 2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.884 19.787 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.334 20.609 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.321 17.959 3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.708 19.579 2.913 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.645 15.529 2.827 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.797 15.812 1.990 1.00 0.00 C ATOM 1251 C GLY A 86 -5.804 14.990 0.716 1.00 0.00 C ATOM 1252 O GLY A 86 -6.854 14.515 0.281 1.00 0.00 O ATOM 0 H GLY A 86 -4.673 14.628 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.709 15.612 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.805 16.872 1.735 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.631 14.823 0.116 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.506 14.054 -1.118 1.00 0.00 C ATOM 1258 C LEU A 87 -5.038 12.636 -0.932 1.00 0.00 C ATOM 1259 O LEU A 87 -5.280 12.194 0.192 1.00 0.00 O ATOM 1260 CB LEU A 87 -3.045 14.007 -1.567 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.348 15.359 -1.724 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.837 15.188 -1.690 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.781 16.035 -3.017 1.00 0.00 C ATOM 0 H LEU A 87 -3.753 15.209 0.463 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.100 14.548 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.483 13.412 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.996 13.482 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.640 15.996 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.358 16.161 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.542 14.747 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.526 14.534 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.275 16.996 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.519 15.401 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.859 16.193 -3.002 1.00 0.00 H new ATOM 1275 N THR A 88 -5.216 11.926 -2.042 1.00 0.00 N ATOM 1276 CA THR A 88 -5.718 10.558 -2.002 1.00 0.00 C ATOM 1277 C THR A 88 -5.465 9.841 -3.323 1.00 0.00 C ATOM 1278 O THR A 88 -5.826 10.338 -4.389 1.00 0.00 O ATOM 1279 CB THR A 88 -7.227 10.522 -1.692 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.532 11.441 -0.637 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.664 9.121 -1.293 1.00 0.00 C ATOM 0 H THR A 88 -5.020 12.276 -2.980 1.00 0.00 H new ATOM 0 HA THR A 88 -5.179 10.046 -1.205 1.00 0.00 H new ATOM 0 HB THR A 88 -7.768 10.811 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.774 11.491 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.733 9.120 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.457 8.429 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.116 8.808 -0.404 1.00 0.00 H new ATOM 1289 N SER A 89 -4.843 8.669 -3.244 1.00 0.00 N ATOM 1290 CA SER A 89 -4.539 7.884 -4.435 1.00 0.00 C ATOM 1291 C SER A 89 -5.305 6.565 -4.426 1.00 0.00 C ATOM 1292 O SER A 89 -6.122 6.313 -3.540 1.00 0.00 O ATOM 1293 CB SER A 89 -3.035 7.613 -4.523 1.00 0.00 C ATOM 1294 OG SER A 89 -2.349 8.722 -5.077 1.00 0.00 O ATOM 0 H SER A 89 -4.540 8.242 -2.369 1.00 0.00 H new ATOM 0 HA SER A 89 -4.849 8.458 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.642 7.398 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.857 6.729 -5.135 1.00 0.00 H new ATOM 0 HG SER A 89 -1.458 8.441 -5.372 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.036 5.725 -5.420 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.697 4.430 -5.529 1.00 0.00 C ATOM 1302 C LYS A 90 -4.869 3.465 -6.371 1.00 0.00 C ATOM 1303 O LYS A 90 -4.187 3.874 -7.310 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.089 4.596 -6.144 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.083 5.281 -5.224 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.517 4.949 -5.605 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.512 5.761 -4.791 1.00 0.00 C ATOM 1308 NZ LYS A 90 -10.808 7.074 -5.427 1.00 0.00 N ATOM 0 H LYS A 90 -4.364 5.918 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.796 4.015 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.003 5.172 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.476 3.614 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.899 4.974 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.935 6.360 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.667 5.146 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.699 3.886 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.437 5.195 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.114 5.924 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.490 7.597 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.930 7.625 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.211 6.918 -6.373 1.00 0.00 H new ATOM 1322 N ALA A 91 -4.935 2.182 -6.030 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.194 1.159 -6.757 1.00 0.00 C ATOM 1324 C ALA A 91 -4.931 -0.176 -6.729 1.00 0.00 C ATOM 1325 O ALA A 91 -5.911 -0.340 -6.003 1.00 0.00 O ATOM 1326 CB ALA A 91 -2.797 1.005 -6.175 1.00 0.00 C ATOM 0 H ALA A 91 -5.494 1.827 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.109 1.476 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.255 0.238 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.264 1.953 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.869 0.714 -5.127 1.00 0.00 H new ATOM 1332 N SER A 92 -4.453 -1.127 -7.525 1.00 0.00 N ATOM 1333 CA SER A 92 -5.069 -2.447 -7.595 1.00 0.00 C ATOM 1334 C SER A 92 -4.180 -3.497 -6.936 1.00 0.00 C ATOM 1335 O SER A 92 -2.964 -3.511 -7.135 1.00 0.00 O ATOM 1336 CB SER A 92 -5.338 -2.831 -9.052 1.00 0.00 C ATOM 1337 OG SER A 92 -6.569 -2.293 -9.502 1.00 0.00 O ATOM 0 H SER A 92 -3.641 -1.008 -8.131 1.00 0.00 H new ATOM 0 HA SER A 92 -6.016 -2.408 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.527 -2.468 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.355 -3.917 -9.148 1.00 0.00 H new ATOM 0 HG SER A 92 -6.717 -2.551 -10.436 1.00 0.00 H new ATOM 1343 N LEU A 93 -4.795 -4.375 -6.152 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.060 -5.430 -5.462 1.00 0.00 C ATOM 1345 C LEU A 93 -4.667 -6.798 -5.757 1.00 0.00 C ATOM 1346 O LEU A 93 -5.791 -7.091 -5.348 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.058 -5.175 -3.954 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.458 -6.283 -3.087 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -1.960 -6.396 -3.327 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.746 -6.023 -1.616 1.00 0.00 C ATOM 0 H LEU A 93 -5.800 -4.378 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.033 -5.422 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.509 -4.253 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.086 -5.006 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.922 -7.229 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.550 -7.189 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.776 -6.629 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.479 -5.451 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.312 -6.821 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.309 -5.068 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.824 -5.993 -1.456 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.916 -7.632 -6.468 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.379 -8.970 -6.815 1.00 0.00 C ATOM 1364 C ILE A 94 -3.850 -10.007 -5.830 1.00 0.00 C ATOM 1365 O ILE A 94 -2.644 -10.106 -5.605 1.00 0.00 O ATOM 1366 CB ILE A 94 -3.947 -9.364 -8.240 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.536 -8.390 -9.262 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.378 -10.790 -8.549 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.653 -7.193 -9.536 1.00 0.00 C ATOM 0 H ILE A 94 -2.984 -7.405 -6.815 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.468 -8.949 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.860 -9.313 -8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.714 -8.921 -10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.505 -8.042 -8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.066 -11.054 -9.559 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.915 -11.473 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.463 -10.867 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.134 -6.546 -10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.495 -6.638 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.692 -7.531 -9.925 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.760 -10.781 -5.247 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.385 -11.813 -4.289 1.00 0.00 C ATOM 1383 C VAL A 95 -5.092 -13.129 -4.594 1.00 0.00 C ATOM 1384 O VAL A 95 -6.256 -13.318 -4.238 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.717 -11.387 -2.846 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.572 -12.565 -1.895 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -3.829 -10.230 -2.415 1.00 0.00 C ATOM 0 H VAL A 95 -5.763 -10.712 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.308 -11.953 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.753 -11.051 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.810 -12.245 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.254 -13.361 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.547 -12.935 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.077 -9.942 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.784 -10.536 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.989 -9.381 -3.080 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.382 -14.037 -5.255 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.941 -15.336 -5.609 1.00 0.00 C ATOM 1399 C ARG A 96 -4.654 -16.366 -4.521 1.00 0.00 C ATOM 1400 O ARG A 96 -3.692 -16.233 -3.765 1.00 0.00 O ATOM 1401 CB ARG A 96 -4.369 -15.815 -6.944 1.00 0.00 C ATOM 1402 CG ARG A 96 -4.828 -14.991 -8.135 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.879 -15.826 -9.405 1.00 0.00 C ATOM 1404 NE ARG A 96 -6.176 -16.474 -9.583 1.00 0.00 N ATOM 1405 CZ ARG A 96 -7.240 -15.861 -10.088 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.163 -14.592 -10.464 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -8.386 -16.518 -10.219 1.00 0.00 N ATOM 0 H ARG A 96 -3.418 -13.897 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.021 -15.225 -5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.280 -15.789 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.656 -16.855 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.815 -14.575 -7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.151 -14.149 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.670 -15.190 -10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.097 -16.584 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.269 -17.451 -9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.284 -14.083 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.982 -14.124 -10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.450 -17.495 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.203 -16.046 -10.607 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.496 -17.393 -4.448 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.333 -18.444 -3.452 1.00 0.00 C ATOM 1423 C GLU A 97 -4.264 -19.444 -3.885 1.00 0.00 C ATOM 1424 O GLU A 97 -4.064 -19.677 -5.077 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.660 -19.169 -3.220 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.178 -19.897 -4.449 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.885 -18.971 -5.421 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.640 -18.090 -4.959 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -7.683 -19.129 -6.643 1.00 0.00 O ATOM 0 H GLU A 97 -6.297 -17.519 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.014 -17.978 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.536 -19.886 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.408 -18.446 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.345 -20.383 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.865 -20.684 -4.138 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.579 -20.030 -2.908 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.530 -21.002 -3.188 1.00 0.00 C ATOM 1438 C ARG A 98 -3.128 -22.349 -3.584 1.00 0.00 C ATOM 1439 O ARG A 98 -4.188 -22.737 -3.093 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.625 -21.173 -1.967 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.420 -22.065 -2.221 1.00 0.00 C ATOM 1442 CD ARG A 98 0.753 -21.683 -1.333 1.00 0.00 C ATOM 1443 NE ARG A 98 0.578 -22.154 0.038 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.507 -22.036 0.981 1.00 0.00 C ATOM 1445 NH1 ARG A 98 2.670 -21.464 0.702 1.00 0.00 N ATOM 1446 NH2 ARG A 98 1.272 -22.490 2.206 1.00 0.00 N ATOM 0 H ARG A 98 -3.732 -19.848 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.936 -20.628 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.278 -20.192 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.210 -21.591 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.691 -23.105 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.125 -21.990 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.671 -22.101 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.869 -20.599 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.306 -22.598 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.853 -21.113 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.381 -21.375 1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.378 -22.930 2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.986 -22.399 2.929 1.00 0.00 H new