USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 74:sc= -2.77 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.17) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 35 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -37:sc= 0.0944 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 0.0241 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -5.280 16.456 -0.708 1.00 0.00 N ATOM 89 CA VAL A 9 -4.989 16.437 -2.136 1.00 0.00 C ATOM 90 C VAL A 9 -5.500 15.155 -2.784 1.00 0.00 C ATOM 91 O VAL A 9 -5.123 14.053 -2.385 1.00 0.00 O ATOM 92 CB VAL A 9 -3.477 16.566 -2.402 1.00 0.00 C ATOM 93 CG1 VAL A 9 -3.191 16.516 -3.895 1.00 0.00 C ATOM 94 CG2 VAL A 9 -2.936 17.849 -1.790 1.00 0.00 C ATOM 0 HA VAL A 9 -5.502 17.292 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.970 15.724 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.118 16.609 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.541 15.567 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.708 17.336 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.867 17.924 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.447 18.706 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.106 17.839 -0.713 1.00 0.00 H new ATOM 104 N TRP A 10 -6.359 15.307 -3.785 1.00 0.00 N ATOM 105 CA TRP A 10 -6.923 14.160 -4.489 1.00 0.00 C ATOM 106 C TRP A 10 -6.369 14.067 -5.907 1.00 0.00 C ATOM 107 O TRP A 10 -5.520 14.864 -6.307 1.00 0.00 O ATOM 108 CB TRP A 10 -8.448 14.260 -4.530 1.00 0.00 C ATOM 109 CG TRP A 10 -9.087 14.139 -3.179 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.682 15.138 -2.462 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.194 12.953 -2.385 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.151 14.644 -1.269 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.866 13.306 -1.198 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.790 11.627 -2.561 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.139 12.380 -0.194 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -9.061 10.710 -1.564 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.732 11.089 -0.393 1.00 0.00 C ATOM 0 H TRP A 10 -6.680 16.212 -4.128 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.640 13.257 -3.948 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.731 15.215 -4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.839 13.478 -5.181 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.771 16.165 -2.785 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.633 15.186 -0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.275 11.324 -3.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.654 12.671 0.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.750 9.683 -1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.932 10.348 0.367 1.00 0.00 H new ATOM 128 N LYS A 11 -6.855 13.089 -6.664 1.00 0.00 N ATOM 129 CA LYS A 11 -6.410 12.891 -8.038 1.00 0.00 C ATOM 130 C LYS A 11 -7.248 11.823 -8.733 1.00 0.00 C ATOM 131 O LYS A 11 -7.795 10.920 -8.101 1.00 0.00 O ATOM 132 CB LYS A 11 -4.933 12.493 -8.066 1.00 0.00 C ATOM 133 CG LYS A 11 -4.597 11.338 -7.138 1.00 0.00 C ATOM 134 CD LYS A 11 -3.104 11.256 -6.868 1.00 0.00 C ATOM 135 CE LYS A 11 -2.806 10.421 -5.632 1.00 0.00 C ATOM 136 NZ LYS A 11 -1.405 9.918 -5.626 1.00 0.00 N ATOM 0 H LYS A 11 -7.558 12.421 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.536 13.832 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.658 12.221 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.327 13.357 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.132 11.459 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.940 10.403 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.600 10.822 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.701 12.260 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.980 11.020 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.495 9.577 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.242 9.354 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.245 9.325 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.747 10.723 -5.641 1.00 0.00 H new ATOM 150 N PRO A 12 -7.352 11.926 -10.067 1.00 0.00 N ATOM 151 CA PRO A 12 -8.121 10.976 -10.877 1.00 0.00 C ATOM 152 C PRO A 12 -7.465 9.601 -10.935 1.00 0.00 C ATOM 153 O PRO A 12 -6.487 9.399 -11.654 1.00 0.00 O ATOM 154 CB PRO A 12 -8.133 11.622 -12.264 1.00 0.00 C ATOM 155 CG PRO A 12 -6.917 12.482 -12.293 1.00 0.00 C ATOM 156 CD PRO A 12 -6.726 12.977 -10.886 1.00 0.00 C ATOM 0 HA PRO A 12 -9.115 10.799 -10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.104 10.869 -13.051 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.037 12.210 -12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.048 11.917 -12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.044 13.314 -12.986 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.671 13.100 -10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.204 13.945 -10.732 1.00 0.00 H new ATOM 164 N GLY A 13 -8.010 8.657 -10.174 1.00 0.00 N ATOM 165 CA GLY A 13 -7.464 7.313 -10.155 1.00 0.00 C ATOM 166 C GLY A 13 -7.187 6.819 -8.748 1.00 0.00 C ATOM 167 O GLY A 13 -6.364 5.926 -8.548 1.00 0.00 O ATOM 0 H GLY A 13 -8.820 8.799 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.162 6.634 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.540 7.291 -10.733 1.00 0.00 H new ATOM 171 N ASP A 14 -7.874 7.403 -7.773 1.00 0.00 N ATOM 172 CA ASP A 14 -7.697 7.018 -6.377 1.00 0.00 C ATOM 173 C ASP A 14 -9.037 6.668 -5.736 1.00 0.00 C ATOM 174 O ASP A 14 -9.988 7.446 -5.802 1.00 0.00 O ATOM 175 CB ASP A 14 -7.023 8.146 -5.596 1.00 0.00 C ATOM 176 CG ASP A 14 -5.510 8.076 -5.665 1.00 0.00 C ATOM 177 OD1 ASP A 14 -4.966 8.122 -6.788 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.871 7.972 -4.597 1.00 0.00 O ATOM 0 H ASP A 14 -8.558 8.144 -7.923 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.059 6.135 -6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.357 9.106 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.339 8.101 -4.554 1.00 0.00 H new ATOM 183 N GLU A 15 -9.103 5.493 -5.118 1.00 0.00 N ATOM 184 CA GLU A 15 -10.327 5.040 -4.468 1.00 0.00 C ATOM 185 C GLU A 15 -10.548 5.779 -3.151 1.00 0.00 C ATOM 186 O GLU A 15 -9.670 5.805 -2.286 1.00 0.00 O ATOM 187 CB GLU A 15 -10.269 3.532 -4.216 1.00 0.00 C ATOM 188 CG GLU A 15 -9.094 3.103 -3.353 1.00 0.00 C ATOM 189 CD GLU A 15 -8.677 1.668 -3.607 1.00 0.00 C ATOM 190 OE1 GLU A 15 -9.343 0.753 -3.079 1.00 0.00 O ATOM 191 OE2 GLU A 15 -7.683 1.459 -4.335 1.00 0.00 O ATOM 0 H GLU A 15 -8.324 4.838 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.163 5.258 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.195 3.217 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.214 3.014 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.248 3.763 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.358 3.220 -2.302 1.00 0.00 H new ATOM 198 N CYS A 16 -11.724 6.378 -3.006 1.00 0.00 N ATOM 199 CA CYS A 16 -12.061 7.118 -1.795 1.00 0.00 C ATOM 200 C CYS A 16 -13.537 6.951 -1.449 1.00 0.00 C ATOM 201 O CYS A 16 -14.288 6.304 -2.179 1.00 0.00 O ATOM 202 CB CYS A 16 -11.731 8.601 -1.971 1.00 0.00 C ATOM 203 SG CYS A 16 -12.526 9.370 -3.401 1.00 0.00 S ATOM 0 H CYS A 16 -12.460 6.366 -3.712 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.466 6.715 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.030 9.138 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.651 8.713 -2.066 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.790 9.544 -3.153 1.00 0.00 H new ATOM 209 N PHE A 17 -13.947 7.539 -0.329 1.00 0.00 N ATOM 210 CA PHE A 17 -15.333 7.453 0.116 1.00 0.00 C ATOM 211 C PHE A 17 -16.050 8.786 -0.077 1.00 0.00 C ATOM 212 O PHE A 17 -15.664 9.800 0.504 1.00 0.00 O ATOM 213 CB PHE A 17 -15.393 7.037 1.587 1.00 0.00 C ATOM 214 CG PHE A 17 -15.447 5.549 1.788 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.281 4.805 1.868 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.663 4.895 1.896 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.327 3.437 2.051 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.716 3.526 2.081 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.546 2.796 2.159 1.00 0.00 C ATOM 0 H PHE A 17 -13.339 8.080 0.286 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.837 6.699 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.520 7.434 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.270 7.490 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.325 5.301 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.581 5.461 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.411 2.869 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.671 3.028 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.584 1.726 2.304 1.00 0.00 H new ATOM 229 N ALA A 18 -17.095 8.776 -0.898 1.00 0.00 N ATOM 230 CA ALA A 18 -17.867 9.983 -1.167 1.00 0.00 C ATOM 231 C ALA A 18 -19.269 9.880 -0.578 1.00 0.00 C ATOM 232 O ALA A 18 -19.931 8.848 -0.699 1.00 0.00 O ATOM 233 CB ALA A 18 -17.939 10.240 -2.665 1.00 0.00 C ATOM 0 H ALA A 18 -17.426 7.945 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.362 10.822 -0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.518 11.144 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.931 10.366 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.419 9.394 -3.157 1.00 0.00 H new ATOM 239 N LEU A 19 -19.717 10.955 0.061 1.00 0.00 N ATOM 240 CA LEU A 19 -21.043 10.986 0.671 1.00 0.00 C ATOM 241 C LEU A 19 -22.128 11.110 -0.393 1.00 0.00 C ATOM 242 O LEU A 19 -22.095 12.017 -1.226 1.00 0.00 O ATOM 243 CB LEU A 19 -21.145 12.150 1.658 1.00 0.00 C ATOM 244 CG LEU A 19 -22.086 11.942 2.845 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.489 10.955 3.835 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.385 13.270 3.527 1.00 0.00 C ATOM 0 H LEU A 19 -19.182 11.817 0.171 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.191 10.049 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.148 12.362 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.471 13.036 1.112 1.00 0.00 H new ATOM 0 HG LEU A 19 -23.023 11.528 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.174 10.821 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.327 9.997 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.537 11.339 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.056 13.103 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.456 13.712 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.858 13.946 2.815 1.00 0.00 H new ATOM 258 N TYR A 20 -23.091 10.196 -0.358 1.00 0.00 N ATOM 259 CA TYR A 20 -24.187 10.203 -1.320 1.00 0.00 C ATOM 260 C TYR A 20 -25.039 11.459 -1.165 1.00 0.00 C ATOM 261 O TYR A 20 -25.086 12.062 -0.093 1.00 0.00 O ATOM 262 CB TYR A 20 -25.057 8.958 -1.142 1.00 0.00 C ATOM 263 CG TYR A 20 -25.727 8.500 -2.418 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.016 8.417 -3.608 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.072 8.149 -2.432 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.624 8.000 -4.776 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.688 7.730 -3.595 1.00 0.00 C ATOM 268 CZ TYR A 20 -26.961 7.657 -4.764 1.00 0.00 C ATOM 269 OH TYR A 20 -27.570 7.240 -5.926 1.00 0.00 O ATOM 0 H TYR A 20 -23.135 9.441 0.326 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.758 10.198 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.441 8.147 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.822 9.164 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.969 8.683 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.645 8.205 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.057 7.943 -5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.734 7.461 -3.589 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.511 7.035 -5.747 1.00 0.00 H new ATOM 279 N TRP A 21 -25.712 11.846 -2.243 1.00 0.00 N ATOM 280 CA TRP A 21 -26.564 13.030 -2.228 1.00 0.00 C ATOM 281 C TRP A 21 -28.012 12.655 -1.934 1.00 0.00 C ATOM 282 O TRP A 21 -28.874 13.524 -1.809 1.00 0.00 O ATOM 283 CB TRP A 21 -26.476 13.763 -3.567 1.00 0.00 C ATOM 284 CG TRP A 21 -27.028 12.973 -4.715 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.342 12.111 -5.522 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.381 12.975 -5.183 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.188 11.576 -6.464 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.444 12.090 -6.277 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.546 13.636 -4.784 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.625 11.852 -6.975 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.717 13.399 -5.478 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.750 12.513 -6.563 1.00 0.00 C ATOM 0 H TRP A 21 -25.684 11.358 -3.138 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.212 13.691 -1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.016 14.707 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.434 14.007 -3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.290 11.883 -5.433 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.924 10.905 -7.185 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.531 14.320 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.652 11.170 -7.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.623 13.906 -5.179 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.681 12.349 -7.084 1.00 0.00 H new ATOM 303 N GLU A 22 -28.272 11.355 -1.824 1.00 0.00 N ATOM 304 CA GLU A 22 -29.617 10.867 -1.545 1.00 0.00 C ATOM 305 C GLU A 22 -29.665 10.138 -0.206 1.00 0.00 C ATOM 306 O GLU A 22 -30.740 9.879 0.334 1.00 0.00 O ATOM 307 CB GLU A 22 -30.087 9.934 -2.663 1.00 0.00 C ATOM 308 CG GLU A 22 -30.812 10.651 -3.790 1.00 0.00 C ATOM 309 CD GLU A 22 -32.307 10.742 -3.557 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.749 11.718 -2.917 1.00 0.00 O ATOM 311 OE2 GLU A 22 -33.036 9.837 -4.015 1.00 0.00 O ATOM 0 H GLU A 22 -27.569 10.622 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.284 11.727 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.224 9.409 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.748 9.178 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.403 11.656 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.625 10.128 -4.728 1.00 0.00 H new ATOM 318 N ASP A 23 -28.491 9.809 0.324 1.00 0.00 N ATOM 319 CA ASP A 23 -28.398 9.110 1.600 1.00 0.00 C ATOM 320 C ASP A 23 -27.518 9.882 2.579 1.00 0.00 C ATOM 321 O ASP A 23 -27.714 9.813 3.791 1.00 0.00 O ATOM 322 CB ASP A 23 -27.839 7.701 1.394 1.00 0.00 C ATOM 323 CG ASP A 23 -28.894 6.725 0.910 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.580 7.039 -0.084 1.00 0.00 O ATOM 325 OD2 ASP A 23 -29.033 5.648 1.527 1.00 0.00 O ATOM 0 H ASP A 23 -27.592 10.015 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.401 9.037 2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.024 7.739 0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.417 7.340 2.332 1.00 0.00 H new ATOM 330 N ASN A 24 -26.547 10.614 2.043 1.00 0.00 N ATOM 331 CA ASN A 24 -25.635 11.398 2.869 1.00 0.00 C ATOM 332 C ASN A 24 -24.739 10.487 3.703 1.00 0.00 C ATOM 333 O ASN A 24 -24.308 10.854 4.797 1.00 0.00 O ATOM 334 CB ASN A 24 -26.423 12.335 3.786 1.00 0.00 C ATOM 335 CG ASN A 24 -27.471 13.134 3.034 1.00 0.00 C ATOM 336 OD1 ASN A 24 -27.232 13.594 1.918 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.637 13.303 3.645 1.00 0.00 N ATOM 0 H ASN A 24 -26.371 10.681 1.041 1.00 0.00 H new ATOM 0 HA ASN A 24 -25.005 11.993 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.908 11.751 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.734 13.020 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -29.380 13.833 3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.790 12.903 4.571 1.00 0.00 H new ATOM 344 N LYS A 25 -24.461 9.298 3.179 1.00 0.00 N ATOM 345 CA LYS A 25 -23.615 8.335 3.873 1.00 0.00 C ATOM 346 C LYS A 25 -22.315 8.104 3.109 1.00 0.00 C ATOM 347 O LYS A 25 -22.265 8.256 1.888 1.00 0.00 O ATOM 348 CB LYS A 25 -24.356 7.008 4.051 1.00 0.00 C ATOM 349 CG LYS A 25 -25.149 6.923 5.343 1.00 0.00 C ATOM 350 CD LYS A 25 -24.264 6.539 6.516 1.00 0.00 C ATOM 351 CE LYS A 25 -24.044 5.035 6.580 1.00 0.00 C ATOM 352 NZ LYS A 25 -23.102 4.657 7.669 1.00 0.00 N ATOM 0 H LYS A 25 -24.810 8.978 2.275 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.373 8.743 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -25.033 6.864 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.634 6.192 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.624 7.883 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -25.948 6.189 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.303 7.045 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.721 6.881 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -25.000 4.535 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.654 4.684 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.979 3.624 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.182 5.114 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.486 4.969 8.584 1.00 0.00 H new ATOM 366 N PHE A 26 -21.264 7.736 3.836 1.00 0.00 N ATOM 367 CA PHE A 26 -19.964 7.484 3.226 1.00 0.00 C ATOM 368 C PHE A 26 -19.954 6.141 2.502 1.00 0.00 C ATOM 369 O PHE A 26 -20.162 5.092 3.112 1.00 0.00 O ATOM 370 CB PHE A 26 -18.865 7.510 4.290 1.00 0.00 C ATOM 371 CG PHE A 26 -18.551 8.890 4.794 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.950 9.824 3.965 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.857 9.253 6.095 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.660 11.094 4.427 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.569 10.522 6.562 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.971 11.444 5.726 1.00 0.00 C ATOM 0 H PHE A 26 -21.288 7.606 4.847 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.774 8.271 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.169 6.885 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.959 7.068 3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.706 9.557 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.326 8.536 6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.190 11.813 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.811 10.792 7.579 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.747 12.437 6.087 1.00 0.00 H new ATOM 386 N TYR A 27 -19.712 6.182 1.196 1.00 0.00 N ATOM 387 CA TYR A 27 -19.678 4.969 0.387 1.00 0.00 C ATOM 388 C TYR A 27 -18.442 4.946 -0.508 1.00 0.00 C ATOM 389 O TYR A 27 -18.014 5.980 -1.021 1.00 0.00 O ATOM 390 CB TYR A 27 -20.942 4.866 -0.467 1.00 0.00 C ATOM 391 CG TYR A 27 -22.218 4.812 0.343 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.296 4.052 1.502 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.344 5.524 -0.052 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.460 3.999 2.245 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.512 5.479 0.685 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.565 4.715 1.833 1.00 0.00 C ATOM 397 OH TYR A 27 -25.725 4.667 2.570 1.00 0.00 O ATOM 0 H TYR A 27 -19.537 7.041 0.675 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.632 4.114 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -20.986 5.721 -1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.878 3.973 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.432 3.492 1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.306 6.123 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.504 3.401 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.378 6.038 0.364 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.407 5.228 2.144 1.00 0.00 H new ATOM 407 N ARG A 28 -17.874 3.759 -0.690 1.00 0.00 N ATOM 408 CA ARG A 28 -16.687 3.599 -1.522 1.00 0.00 C ATOM 409 C ARG A 28 -16.866 4.302 -2.865 1.00 0.00 C ATOM 410 O ARG A 28 -17.980 4.408 -3.377 1.00 0.00 O ATOM 411 CB ARG A 28 -16.391 2.115 -1.746 1.00 0.00 C ATOM 412 CG ARG A 28 -14.924 1.820 -2.009 1.00 0.00 C ATOM 413 CD ARG A 28 -14.171 1.544 -0.717 1.00 0.00 C ATOM 414 NE ARG A 28 -14.330 0.161 -0.275 1.00 0.00 N ATOM 415 CZ ARG A 28 -13.635 -0.377 0.720 1.00 0.00 C ATOM 416 NH1 ARG A 28 -12.738 0.348 1.374 1.00 0.00 N ATOM 417 NH2 ARG A 28 -13.836 -1.642 1.064 1.00 0.00 N ATOM 0 H ARG A 28 -18.216 2.894 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.845 4.055 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.715 1.552 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.982 1.759 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.838 0.959 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.468 2.666 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.112 1.759 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.529 2.217 0.062 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.013 -0.424 -0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.581 1.321 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.205 -0.068 2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.525 -2.203 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.301 -2.054 1.829 1.00 0.00 H new ATOM 431 N ALA A 29 -15.762 4.779 -3.429 1.00 0.00 N ATOM 432 CA ALA A 29 -15.797 5.470 -4.712 1.00 0.00 C ATOM 433 C ALA A 29 -14.399 5.586 -5.311 1.00 0.00 C ATOM 434 O ALA A 29 -13.422 5.125 -4.723 1.00 0.00 O ATOM 435 CB ALA A 29 -16.421 6.848 -4.553 1.00 0.00 C ATOM 0 H ALA A 29 -14.832 4.700 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.410 4.883 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.440 7.352 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.439 6.745 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.831 7.435 -3.849 1.00 0.00 H new ATOM 441 N GLU A 30 -14.313 6.204 -6.485 1.00 0.00 N ATOM 442 CA GLU A 30 -13.034 6.378 -7.164 1.00 0.00 C ATOM 443 C GLU A 30 -12.965 7.737 -7.855 1.00 0.00 C ATOM 444 O GLU A 30 -13.720 8.010 -8.788 1.00 0.00 O ATOM 445 CB GLU A 30 -12.819 5.261 -8.188 1.00 0.00 C ATOM 446 CG GLU A 30 -11.468 5.323 -8.881 1.00 0.00 C ATOM 447 CD GLU A 30 -11.127 4.039 -9.610 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.536 3.894 -10.781 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.450 3.177 -9.010 1.00 0.00 O ATOM 0 H GLU A 30 -15.113 6.592 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.244 6.331 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.918 4.297 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.606 5.312 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.465 6.151 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.694 5.534 -8.143 1.00 0.00 H new ATOM 456 N VAL A 31 -12.055 8.586 -7.388 1.00 0.00 N ATOM 457 CA VAL A 31 -11.886 9.916 -7.961 1.00 0.00 C ATOM 458 C VAL A 31 -11.839 9.858 -9.483 1.00 0.00 C ATOM 459 O VAL A 31 -10.828 9.470 -10.068 1.00 0.00 O ATOM 460 CB VAL A 31 -10.601 10.590 -7.444 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.440 11.973 -8.057 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.616 10.670 -5.925 1.00 0.00 C ATOM 0 H VAL A 31 -11.424 8.376 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.748 10.506 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.747 9.984 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.527 12.434 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.381 11.886 -9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.296 12.592 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.701 11.149 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.477 11.254 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.681 9.665 -5.508 1.00 0.00 H new ATOM 472 N GLU A 32 -12.940 10.246 -10.119 1.00 0.00 N ATOM 473 CA GLU A 32 -13.024 10.237 -11.575 1.00 0.00 C ATOM 474 C GLU A 32 -12.277 11.427 -12.170 1.00 0.00 C ATOM 475 O GLU A 32 -11.441 11.266 -13.059 1.00 0.00 O ATOM 476 CB GLU A 32 -14.487 10.263 -12.024 1.00 0.00 C ATOM 477 CG GLU A 32 -14.702 9.724 -13.428 1.00 0.00 C ATOM 478 CD GLU A 32 -14.219 10.681 -14.501 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.563 11.879 -14.426 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.496 10.231 -15.415 1.00 0.00 O ATOM 0 H GLU A 32 -13.785 10.570 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.557 9.320 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.084 9.678 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.855 11.288 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.179 8.773 -13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.763 9.522 -13.577 1.00 0.00 H new ATOM 487 N ALA A 33 -12.585 12.620 -11.674 1.00 0.00 N ATOM 488 CA ALA A 33 -11.943 13.837 -12.155 1.00 0.00 C ATOM 489 C ALA A 33 -12.206 15.006 -11.212 1.00 0.00 C ATOM 490 O ALA A 33 -13.286 15.117 -10.630 1.00 0.00 O ATOM 491 CB ALA A 33 -12.426 14.169 -13.559 1.00 0.00 C ATOM 0 H ALA A 33 -13.276 12.770 -10.939 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.867 13.664 -12.185 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.938 15.080 -13.906 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.180 13.347 -14.232 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.506 14.318 -13.547 1.00 0.00 H new ATOM 497 N LEU A 34 -11.213 15.876 -11.065 1.00 0.00 N ATOM 498 CA LEU A 34 -11.338 17.038 -10.191 1.00 0.00 C ATOM 499 C LEU A 34 -11.755 18.273 -10.984 1.00 0.00 C ATOM 500 O LEU A 34 -11.701 18.281 -12.214 1.00 0.00 O ATOM 501 CB LEU A 34 -10.015 17.303 -9.471 1.00 0.00 C ATOM 502 CG LEU A 34 -9.357 16.092 -8.808 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.845 16.257 -8.775 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.904 15.892 -7.402 1.00 0.00 C ATOM 0 H LEU A 34 -10.313 15.799 -11.539 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.111 16.825 -9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.312 17.726 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.186 18.062 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.592 15.206 -9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.394 15.386 -8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.467 16.351 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.589 17.152 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.425 15.026 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.699 16.779 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.980 15.728 -7.450 1.00 0.00 H new ATOM 516 N HIS A 35 -12.168 19.316 -10.270 1.00 0.00 N ATOM 517 CA HIS A 35 -12.591 20.558 -10.907 1.00 0.00 C ATOM 518 C HIS A 35 -11.401 21.487 -11.131 1.00 0.00 C ATOM 519 O HIS A 35 -10.286 21.199 -10.696 1.00 0.00 O ATOM 520 CB HIS A 35 -13.647 21.260 -10.053 1.00 0.00 C ATOM 521 CG HIS A 35 -14.364 22.361 -10.771 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.445 23.649 -10.284 1.00 0.00 N ATOM 523 CD2 HIS A 35 -15.032 22.363 -11.948 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.135 24.394 -11.130 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.502 23.637 -12.148 1.00 0.00 N ATOM 0 H HIS A 35 -12.219 19.326 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.024 20.311 -11.876 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.376 20.524 -9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.169 21.669 -9.163 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.170 21.519 -12.607 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.360 25.443 -11.009 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.046 23.949 -12.952 1.00 0.00 H new ATOM 534 N SER A 36 -11.647 22.601 -11.812 1.00 0.00 N ATOM 535 CA SER A 36 -10.595 23.570 -12.097 1.00 0.00 C ATOM 536 C SER A 36 -10.199 24.330 -10.835 1.00 0.00 C ATOM 537 O SER A 36 -9.028 24.367 -10.460 1.00 0.00 O ATOM 538 CB SER A 36 -11.056 24.553 -13.175 1.00 0.00 C ATOM 539 OG SER A 36 -9.972 25.328 -13.657 1.00 0.00 O ATOM 0 H SER A 36 -12.565 22.855 -12.177 1.00 0.00 H new ATOM 0 HA SER A 36 -9.723 23.026 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.511 24.005 -14.000 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.824 25.210 -12.767 1.00 0.00 H new ATOM 0 HG SER A 36 -10.293 25.947 -14.346 1.00 0.00 H new ATOM 545 N SER A 37 -11.187 24.937 -10.184 1.00 0.00 N ATOM 546 CA SER A 37 -10.943 25.700 -8.965 1.00 0.00 C ATOM 547 C SER A 37 -10.341 24.813 -7.880 1.00 0.00 C ATOM 548 O SER A 37 -9.265 25.098 -7.355 1.00 0.00 O ATOM 549 CB SER A 37 -12.244 26.329 -8.463 1.00 0.00 C ATOM 550 OG SER A 37 -11.992 27.540 -7.773 1.00 0.00 O ATOM 0 H SER A 37 -12.163 24.915 -10.480 1.00 0.00 H new ATOM 0 HA SER A 37 -10.231 26.492 -9.198 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.909 26.519 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.758 25.631 -7.802 1.00 0.00 H new ATOM 0 HG SER A 37 -12.840 27.923 -7.464 1.00 0.00 H new ATOM 556 N GLY A 38 -11.044 23.735 -7.548 1.00 0.00 N ATOM 557 CA GLY A 38 -10.565 22.822 -6.527 1.00 0.00 C ATOM 558 C GLY A 38 -11.511 22.725 -5.346 1.00 0.00 C ATOM 559 O GLY A 38 -11.076 22.700 -4.195 1.00 0.00 O ATOM 0 H GLY A 38 -11.937 23.477 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.431 21.832 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.586 23.152 -6.179 1.00 0.00 H new ATOM 563 N MET A 39 -12.807 22.671 -5.631 1.00 0.00 N ATOM 564 CA MET A 39 -13.817 22.577 -4.583 1.00 0.00 C ATOM 565 C MET A 39 -14.562 21.249 -4.663 1.00 0.00 C ATOM 566 O MET A 39 -14.679 20.529 -3.671 1.00 0.00 O ATOM 567 CB MET A 39 -14.807 23.738 -4.692 1.00 0.00 C ATOM 568 CG MET A 39 -14.196 25.091 -4.366 1.00 0.00 C ATOM 569 SD MET A 39 -15.259 26.467 -4.844 1.00 0.00 S ATOM 570 CE MET A 39 -15.218 27.460 -3.354 1.00 0.00 C ATOM 0 H MET A 39 -13.183 22.691 -6.579 1.00 0.00 H new ATOM 0 HA MET A 39 -13.310 22.631 -3.620 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.212 23.766 -5.704 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.644 23.555 -4.019 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.996 25.146 -3.296 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.237 25.184 -4.875 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.831 28.350 -3.493 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.607 26.878 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.191 27.756 -3.142 1.00 0.00 H new ATOM 580 N THR A 40 -15.066 20.929 -5.851 1.00 0.00 N ATOM 581 CA THR A 40 -15.801 19.688 -6.061 1.00 0.00 C ATOM 582 C THR A 40 -15.101 18.800 -7.083 1.00 0.00 C ATOM 583 O THR A 40 -14.235 19.259 -7.827 1.00 0.00 O ATOM 584 CB THR A 40 -17.241 19.961 -6.534 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.221 20.696 -7.763 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.018 20.740 -5.484 1.00 0.00 C ATOM 0 H THR A 40 -14.978 21.513 -6.683 1.00 0.00 H new ATOM 0 HA THR A 40 -15.834 19.174 -5.100 1.00 0.00 H new ATOM 0 HB THR A 40 -17.736 19.003 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.140 20.864 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.032 20.921 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.056 20.165 -4.559 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.524 21.694 -5.298 1.00 0.00 H new ATOM 594 N ALA A 41 -15.483 17.528 -7.115 1.00 0.00 N ATOM 595 CA ALA A 41 -14.894 16.577 -8.050 1.00 0.00 C ATOM 596 C ALA A 41 -15.861 15.438 -8.357 1.00 0.00 C ATOM 597 O ALA A 41 -16.644 15.027 -7.500 1.00 0.00 O ATOM 598 CB ALA A 41 -13.589 16.028 -7.491 1.00 0.00 C ATOM 0 H ALA A 41 -16.198 17.132 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.685 17.102 -8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.160 15.319 -8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.889 16.848 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.782 15.523 -6.544 1.00 0.00 H new ATOM 604 N VAL A 42 -15.801 14.932 -9.584 1.00 0.00 N ATOM 605 CA VAL A 42 -16.672 13.840 -10.004 1.00 0.00 C ATOM 606 C VAL A 42 -16.142 12.497 -9.516 1.00 0.00 C ATOM 607 O VAL A 42 -15.075 12.047 -9.936 1.00 0.00 O ATOM 608 CB VAL A 42 -16.816 13.796 -11.537 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.717 12.643 -11.955 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.354 15.120 -12.060 1.00 0.00 C ATOM 0 H VAL A 42 -15.159 15.260 -10.305 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.650 14.025 -9.559 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.830 13.633 -11.973 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.807 12.627 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.286 11.702 -11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.704 12.773 -11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.449 15.071 -13.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.331 15.316 -11.618 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.667 15.923 -11.792 1.00 0.00 H new ATOM 620 N VAL A 43 -16.895 11.858 -8.626 1.00 0.00 N ATOM 621 CA VAL A 43 -16.503 10.564 -8.081 1.00 0.00 C ATOM 622 C VAL A 43 -17.493 9.476 -8.482 1.00 0.00 C ATOM 623 O VAL A 43 -18.707 9.677 -8.437 1.00 0.00 O ATOM 624 CB VAL A 43 -16.402 10.609 -6.544 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.322 11.587 -6.109 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.745 10.979 -5.933 1.00 0.00 C ATOM 0 H VAL A 43 -17.780 12.216 -8.267 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.522 10.330 -8.496 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.126 9.617 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.265 11.606 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.361 11.273 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.565 12.584 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.656 11.006 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.052 11.960 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.491 10.237 -6.217 1.00 0.00 H new ATOM 636 N LYS A 44 -16.967 8.321 -8.874 1.00 0.00 N ATOM 637 CA LYS A 44 -17.803 7.198 -9.283 1.00 0.00 C ATOM 638 C LYS A 44 -18.010 6.225 -8.126 1.00 0.00 C ATOM 639 O LYS A 44 -17.055 5.816 -7.467 1.00 0.00 O ATOM 640 CB LYS A 44 -17.168 6.468 -10.469 1.00 0.00 C ATOM 641 CG LYS A 44 -18.155 5.633 -11.267 1.00 0.00 C ATOM 642 CD LYS A 44 -17.482 4.952 -12.447 1.00 0.00 C ATOM 643 CE LYS A 44 -16.695 3.727 -12.009 1.00 0.00 C ATOM 644 NZ LYS A 44 -15.643 3.360 -12.998 1.00 0.00 N ATOM 0 H LYS A 44 -15.965 8.138 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.774 7.591 -9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.706 7.200 -11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.371 5.822 -10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.604 4.880 -10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.965 6.269 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.236 4.659 -13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.814 5.657 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.232 3.920 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.376 2.887 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.129 2.520 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.087 3.151 -13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.978 4.152 -13.107 1.00 0.00 H new ATOM 658 N PHE A 45 -19.265 5.859 -7.885 1.00 0.00 N ATOM 659 CA PHE A 45 -19.598 4.934 -6.808 1.00 0.00 C ATOM 660 C PHE A 45 -19.479 3.487 -7.278 1.00 0.00 C ATOM 661 O PHE A 45 -20.095 3.090 -8.268 1.00 0.00 O ATOM 662 CB PHE A 45 -21.015 5.201 -6.297 1.00 0.00 C ATOM 663 CG PHE A 45 -21.104 6.374 -5.363 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.593 6.292 -4.077 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.699 7.557 -5.770 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.673 7.370 -3.215 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.781 8.638 -4.912 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.269 8.543 -3.633 1.00 0.00 C ATOM 0 H PHE A 45 -20.068 6.189 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.890 5.093 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.673 5.374 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.382 4.311 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.127 5.376 -3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.103 7.636 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.270 7.295 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.245 9.556 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.335 9.385 -2.960 1.00 0.00 H new ATOM 678 N THR A 46 -18.682 2.701 -6.560 1.00 0.00 N ATOM 679 CA THR A 46 -18.480 1.299 -6.903 1.00 0.00 C ATOM 680 C THR A 46 -19.790 0.523 -6.836 1.00 0.00 C ATOM 681 O THR A 46 -20.039 -0.364 -7.653 1.00 0.00 O ATOM 682 CB THR A 46 -17.454 0.634 -5.966 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.846 -0.485 -6.621 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.117 0.175 -4.676 1.00 0.00 C ATOM 0 H THR A 46 -18.166 3.012 -5.737 1.00 0.00 H new ATOM 0 HA THR A 46 -18.098 1.275 -7.924 1.00 0.00 H new ATOM 0 HB THR A 46 -16.689 1.370 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.194 -0.901 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.373 -0.291 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.553 1.034 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.901 -0.547 -4.906 1.00 0.00 H new ATOM 692 N ASP A 47 -20.624 0.862 -5.860 1.00 0.00 N ATOM 693 CA ASP A 47 -21.911 0.197 -5.688 1.00 0.00 C ATOM 694 C ASP A 47 -22.543 -0.120 -7.039 1.00 0.00 C ATOM 695 O ASP A 47 -22.719 -1.285 -7.396 1.00 0.00 O ATOM 696 CB ASP A 47 -22.854 1.072 -4.861 1.00 0.00 C ATOM 697 CG ASP A 47 -22.163 1.702 -3.668 1.00 0.00 C ATOM 698 OD1 ASP A 47 -21.494 2.741 -3.851 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.290 1.157 -2.552 1.00 0.00 O ATOM 0 H ASP A 47 -20.433 1.593 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.741 -0.740 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.266 1.857 -5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.693 0.469 -4.514 1.00 0.00 H new ATOM 704 N TYR A 48 -22.885 0.925 -7.786 1.00 0.00 N ATOM 705 CA TYR A 48 -23.502 0.758 -9.096 1.00 0.00 C ATOM 706 C TYR A 48 -22.557 1.213 -10.205 1.00 0.00 C ATOM 707 O TYR A 48 -22.413 0.543 -11.227 1.00 0.00 O ATOM 708 CB TYR A 48 -24.810 1.547 -9.171 1.00 0.00 C ATOM 709 CG TYR A 48 -25.698 1.364 -7.961 1.00 0.00 C ATOM 710 CD1 TYR A 48 -26.565 0.281 -7.869 1.00 0.00 C ATOM 711 CD2 TYR A 48 -25.671 2.272 -6.910 1.00 0.00 C ATOM 712 CE1 TYR A 48 -27.379 0.110 -6.766 1.00 0.00 C ATOM 713 CE2 TYR A 48 -26.480 2.107 -5.803 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.333 1.025 -5.735 1.00 0.00 C ATOM 715 OH TYR A 48 -28.141 0.858 -4.634 1.00 0.00 O ATOM 0 H TYR A 48 -22.745 1.896 -7.506 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.716 -0.302 -9.237 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.580 2.606 -9.285 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.358 1.242 -10.063 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -26.603 -0.439 -8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -25.006 3.122 -6.959 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -28.048 -0.736 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -26.445 2.822 -4.994 1.00 0.00 H new ATOM 0 HH TYR A 48 -27.985 1.589 -4.000 1.00 0.00 H new ATOM 725 N GLY A 49 -21.914 2.357 -9.993 1.00 0.00 N ATOM 726 CA GLY A 49 -20.990 2.882 -10.982 1.00 0.00 C ATOM 727 C GLY A 49 -21.479 4.176 -11.602 1.00 0.00 C ATOM 728 O GLY A 49 -21.255 4.428 -12.785 1.00 0.00 O ATOM 0 H GLY A 49 -22.016 2.929 -9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.020 3.050 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.842 2.140 -11.767 1.00 0.00 H new ATOM 732 N ASN A 50 -22.150 4.998 -10.802 1.00 0.00 N ATOM 733 CA ASN A 50 -22.674 6.272 -11.281 1.00 0.00 C ATOM 734 C ASN A 50 -21.838 7.435 -10.756 1.00 0.00 C ATOM 735 O ASN A 50 -21.307 7.381 -9.647 1.00 0.00 O ATOM 736 CB ASN A 50 -24.132 6.442 -10.849 1.00 0.00 C ATOM 737 CG ASN A 50 -24.365 6.009 -9.414 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.654 4.843 -9.145 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.239 6.949 -8.485 1.00 0.00 N ATOM 0 H ASN A 50 -22.344 4.805 -9.819 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.622 6.272 -12.370 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.422 7.487 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.774 5.860 -11.510 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.383 6.717 -7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.998 7.903 -8.754 1.00 0.00 H new ATOM 746 N TYR A 51 -21.727 8.486 -11.561 1.00 0.00 N ATOM 747 CA TYR A 51 -20.954 9.662 -11.180 1.00 0.00 C ATOM 748 C TYR A 51 -21.801 10.626 -10.355 1.00 0.00 C ATOM 749 O TYR A 51 -22.974 10.848 -10.651 1.00 0.00 O ATOM 750 CB TYR A 51 -20.420 10.373 -12.425 1.00 0.00 C ATOM 751 CG TYR A 51 -19.598 9.479 -13.326 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.427 8.886 -12.869 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.992 9.228 -14.635 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.673 8.070 -13.690 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.245 8.412 -15.462 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.086 7.836 -14.985 1.00 0.00 C ATOM 757 OH TYR A 51 -17.338 7.022 -15.805 1.00 0.00 O ATOM 0 H TYR A 51 -22.163 8.547 -12.481 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.113 9.331 -10.570 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.260 10.774 -12.993 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.811 11.222 -12.115 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.101 9.066 -11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.898 9.679 -15.012 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.765 7.618 -13.320 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.566 8.226 -16.476 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.767 6.960 -16.684 1.00 0.00 H new ATOM 767 N GLU A 52 -21.195 11.196 -9.317 1.00 0.00 N ATOM 768 CA GLU A 52 -21.893 12.136 -8.448 1.00 0.00 C ATOM 769 C GLU A 52 -20.981 13.295 -8.057 1.00 0.00 C ATOM 770 O GLU A 52 -19.846 13.088 -7.629 1.00 0.00 O ATOM 771 CB GLU A 52 -22.400 11.424 -7.192 1.00 0.00 C ATOM 772 CG GLU A 52 -23.714 10.690 -7.396 1.00 0.00 C ATOM 773 CD GLU A 52 -24.772 11.559 -8.048 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.830 12.764 -7.727 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.543 11.034 -8.879 1.00 0.00 O ATOM 0 H GLU A 52 -20.224 11.023 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.745 12.536 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.645 10.713 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.523 12.156 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.542 9.809 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.082 10.337 -6.433 1.00 0.00 H new ATOM 782 N GLU A 53 -21.487 14.515 -8.208 1.00 0.00 N ATOM 783 CA GLU A 53 -20.717 15.707 -7.871 1.00 0.00 C ATOM 784 C GLU A 53 -20.666 15.914 -6.360 1.00 0.00 C ATOM 785 O GLU A 53 -21.626 16.393 -5.755 1.00 0.00 O ATOM 786 CB GLU A 53 -21.323 16.940 -8.545 1.00 0.00 C ATOM 787 CG GLU A 53 -20.509 18.207 -8.343 1.00 0.00 C ATOM 788 CD GLU A 53 -21.126 19.412 -9.024 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.798 19.228 -10.061 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.938 20.540 -8.522 1.00 0.00 O ATOM 0 H GLU A 53 -22.425 14.704 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.699 15.565 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.421 16.748 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.329 17.099 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.414 18.407 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.502 18.052 -8.729 1.00 0.00 H new ATOM 797 N VAL A 54 -19.540 15.548 -5.756 1.00 0.00 N ATOM 798 CA VAL A 54 -19.363 15.693 -4.316 1.00 0.00 C ATOM 799 C VAL A 54 -18.173 16.591 -3.997 1.00 0.00 C ATOM 800 O VAL A 54 -17.194 16.632 -4.744 1.00 0.00 O ATOM 801 CB VAL A 54 -19.159 14.327 -3.636 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.611 14.380 -2.184 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.902 13.238 -4.394 1.00 0.00 C ATOM 0 H VAL A 54 -18.737 15.149 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.273 16.150 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.096 14.088 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.459 13.406 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.030 15.131 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.668 14.641 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.746 12.279 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.967 13.469 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.526 13.184 -5.416 1.00 0.00 H new ATOM 813 N LEU A 55 -18.262 17.308 -2.882 1.00 0.00 N ATOM 814 CA LEU A 55 -17.192 18.206 -2.462 1.00 0.00 C ATOM 815 C LEU A 55 -15.978 17.418 -1.981 1.00 0.00 C ATOM 816 O LEU A 55 -16.113 16.328 -1.422 1.00 0.00 O ATOM 817 CB LEU A 55 -17.685 19.134 -1.351 1.00 0.00 C ATOM 818 CG LEU A 55 -18.303 20.456 -1.806 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.359 20.921 -0.814 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.226 21.518 -1.977 1.00 0.00 C ATOM 0 H LEU A 55 -19.064 17.285 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.895 18.806 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.424 18.596 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.846 19.356 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.785 20.296 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.788 21.863 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.145 20.170 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.901 21.063 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.684 22.452 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.716 21.675 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.506 21.188 -2.726 1.00 0.00 H new ATOM 832 N LEU A 56 -14.792 17.976 -2.200 1.00 0.00 N ATOM 833 CA LEU A 56 -13.553 17.326 -1.786 1.00 0.00 C ATOM 834 C LEU A 56 -13.478 17.214 -0.267 1.00 0.00 C ATOM 835 O LEU A 56 -12.792 16.342 0.267 1.00 0.00 O ATOM 836 CB LEU A 56 -12.346 18.106 -2.312 1.00 0.00 C ATOM 837 CG LEU A 56 -12.307 18.344 -3.822 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.286 19.418 -4.166 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.991 17.050 -4.558 1.00 0.00 C ATOM 0 H LEU A 56 -14.662 18.876 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.540 16.320 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.318 19.074 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.440 17.572 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.290 18.690 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.272 19.574 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.556 20.349 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.298 19.101 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.967 17.238 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.020 16.675 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.759 16.309 -4.337 1.00 0.00 H new ATOM 851 N SER A 57 -14.189 18.100 0.423 1.00 0.00 N ATOM 852 CA SER A 57 -14.201 18.101 1.881 1.00 0.00 C ATOM 853 C SER A 57 -15.100 16.991 2.417 1.00 0.00 C ATOM 854 O SER A 57 -15.067 16.669 3.604 1.00 0.00 O ATOM 855 CB SER A 57 -14.677 19.457 2.407 1.00 0.00 C ATOM 856 OG SER A 57 -14.385 19.600 3.786 1.00 0.00 O ATOM 0 H SER A 57 -14.764 18.826 -0.004 1.00 0.00 H new ATOM 0 HA SER A 57 -13.184 17.921 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.196 20.258 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.751 19.556 2.247 1.00 0.00 H new ATOM 0 HG SER A 57 -14.508 18.739 4.237 1.00 0.00 H new ATOM 862 N ASN A 58 -15.904 16.409 1.532 1.00 0.00 N ATOM 863 CA ASN A 58 -16.813 15.335 1.916 1.00 0.00 C ATOM 864 C ASN A 58 -16.299 13.986 1.424 1.00 0.00 C ATOM 865 O ASN A 58 -17.063 13.028 1.297 1.00 0.00 O ATOM 866 CB ASN A 58 -18.211 15.597 1.353 1.00 0.00 C ATOM 867 CG ASN A 58 -18.875 16.802 1.991 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.397 17.329 2.996 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.983 17.245 1.409 1.00 0.00 N ATOM 0 H ASN A 58 -15.944 16.663 0.545 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.866 15.309 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.143 15.751 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.834 14.717 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.473 18.053 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.344 16.778 0.577 1.00 0.00 H new ATOM 876 N ILE A 59 -15.001 13.918 1.148 1.00 0.00 N ATOM 877 CA ILE A 59 -14.385 12.686 0.671 1.00 0.00 C ATOM 878 C ILE A 59 -13.332 12.182 1.653 1.00 0.00 C ATOM 879 O ILE A 59 -12.498 12.950 2.134 1.00 0.00 O ATOM 880 CB ILE A 59 -13.732 12.881 -0.710 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.555 13.855 -1.555 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.589 11.543 -1.421 1.00 0.00 C ATOM 883 CD1 ILE A 59 -14.051 13.999 -2.974 1.00 0.00 C ATOM 0 H ILE A 59 -14.356 14.702 1.247 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.182 11.947 0.586 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.737 13.304 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.591 13.517 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.550 14.834 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -13.126 11.697 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.965 10.878 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.574 11.094 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.682 14.705 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.025 14.367 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.082 13.030 -3.471 1.00 0.00 H new ATOM 895 N LYS A 60 -13.376 10.887 1.945 1.00 0.00 N ATOM 896 CA LYS A 60 -12.424 10.278 2.867 1.00 0.00 C ATOM 897 C LYS A 60 -11.501 9.309 2.135 1.00 0.00 C ATOM 898 O LYS A 60 -11.920 8.566 1.247 1.00 0.00 O ATOM 899 CB LYS A 60 -13.165 9.545 3.987 1.00 0.00 C ATOM 900 CG LYS A 60 -14.481 10.197 4.375 1.00 0.00 C ATOM 901 CD LYS A 60 -14.264 11.381 5.303 1.00 0.00 C ATOM 902 CE LYS A 60 -14.046 12.668 4.524 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.436 13.868 5.314 1.00 0.00 N ATOM 0 H LYS A 60 -14.061 10.238 1.557 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.817 11.073 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.356 8.519 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.521 9.495 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.003 10.528 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.122 9.463 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.127 11.493 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.401 11.191 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.997 12.746 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.626 12.637 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.599 14.669 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.308 13.666 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.674 14.108 5.980 1.00 0.00 H new ATOM 917 N PRO A 61 -10.215 9.314 2.515 1.00 0.00 N ATOM 918 CA PRO A 61 -9.207 8.440 1.908 1.00 0.00 C ATOM 919 C PRO A 61 -9.412 6.975 2.278 1.00 0.00 C ATOM 920 O PRO A 61 -9.485 6.626 3.456 1.00 0.00 O ATOM 921 CB PRO A 61 -7.890 8.959 2.491 1.00 0.00 C ATOM 922 CG PRO A 61 -8.273 9.598 3.781 1.00 0.00 C ATOM 923 CD PRO A 61 -9.646 10.173 3.567 1.00 0.00 C ATOM 0 HA PRO A 61 -9.247 8.467 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.179 8.148 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.415 9.675 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.277 8.869 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.562 10.377 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.242 10.140 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.601 11.216 3.253 1.00 0.00 H new ATOM 931 N VAL A 62 -9.504 6.120 1.264 1.00 0.00 N ATOM 932 CA VAL A 62 -9.699 4.692 1.482 1.00 0.00 C ATOM 933 C VAL A 62 -8.401 4.020 1.917 1.00 0.00 C ATOM 934 O VAL A 62 -7.337 4.288 1.361 1.00 0.00 O ATOM 935 CB VAL A 62 -10.224 3.997 0.212 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.204 2.485 0.384 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.626 4.485 -0.121 1.00 0.00 C ATOM 0 H VAL A 62 -9.446 6.392 0.283 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.440 4.591 2.275 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.568 4.253 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.578 2.011 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.183 2.154 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.837 2.206 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.982 3.984 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.296 4.260 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.606 5.562 -0.289 1.00 0.00 H new