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 90:sc= -1.72 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 165:sc= -0.343 USER MOD Single : A 35 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.28) 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= -1.25! K(o=-1.2!,f=-0.63) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -22:sc= 0.599 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.00268 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.231 16.294 -1.370 1.00 0.00 N ATOM 89 CA VAL A 9 -4.738 16.548 -2.713 1.00 0.00 C ATOM 90 C VAL A 9 -5.244 15.264 -3.362 1.00 0.00 C ATOM 91 O VAL A 9 -4.615 14.212 -3.251 1.00 0.00 O ATOM 92 CB VAL A 9 -3.657 17.174 -3.613 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.493 16.212 -3.797 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.247 17.572 -4.957 1.00 0.00 C ATOM 0 HA VAL A 9 -5.565 17.250 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.281 18.074 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.739 16.671 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.055 15.981 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.851 15.293 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.469 18.013 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.652 16.689 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.044 18.300 -4.803 1.00 0.00 H new ATOM 104 N TRP A 10 -6.382 15.359 -4.039 1.00 0.00 N ATOM 105 CA TRP A 10 -6.972 14.204 -4.706 1.00 0.00 C ATOM 106 C TRP A 10 -6.447 14.071 -6.131 1.00 0.00 C ATOM 107 O TRP A 10 -5.897 15.020 -6.692 1.00 0.00 O ATOM 108 CB TRP A 10 -8.497 14.322 -4.721 1.00 0.00 C ATOM 109 CG TRP A 10 -9.118 14.172 -3.365 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.746 15.143 -2.639 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.168 12.981 -2.572 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.183 14.628 -1.443 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.842 13.303 -1.378 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.711 11.673 -2.756 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.067 12.364 -0.374 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.935 10.743 -1.758 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.608 11.092 -0.580 1.00 0.00 C ATOM 0 H TRP A 10 -6.915 16.223 -4.141 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.689 13.311 -4.149 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.775 15.291 -5.135 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.907 13.562 -5.386 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.880 16.166 -2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.681 15.148 -0.720 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.192 11.394 -3.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.586 12.631 0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.585 9.730 -1.889 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.768 10.342 0.181 1.00 0.00 H new ATOM 128 N LYS A 11 -6.618 12.889 -6.713 1.00 0.00 N ATOM 129 CA LYS A 11 -6.162 12.633 -8.074 1.00 0.00 C ATOM 130 C LYS A 11 -7.092 11.653 -8.783 1.00 0.00 C ATOM 131 O LYS A 11 -7.733 10.807 -8.160 1.00 0.00 O ATOM 132 CB LYS A 11 -4.736 12.080 -8.060 1.00 0.00 C ATOM 133 CG LYS A 11 -4.569 10.848 -7.188 1.00 0.00 C ATOM 134 CD LYS A 11 -3.151 10.731 -6.653 1.00 0.00 C ATOM 135 CE LYS A 11 -2.144 10.554 -7.779 1.00 0.00 C ATOM 136 NZ LYS A 11 -2.101 9.149 -8.270 1.00 0.00 N ATOM 0 H LYS A 11 -7.069 12.093 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.173 13.577 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.440 11.835 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.057 12.858 -7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.271 10.893 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.816 9.957 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.903 11.623 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.087 9.884 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.401 11.219 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.154 10.847 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.403 9.070 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.831 8.517 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.039 8.877 -8.627 1.00 0.00 H new ATOM 150 N PRO A 12 -7.166 11.766 -10.118 1.00 0.00 N ATOM 151 CA PRO A 12 -8.012 10.897 -10.940 1.00 0.00 C ATOM 152 C PRO A 12 -7.493 9.464 -10.993 1.00 0.00 C ATOM 153 O PRO A 12 -6.536 9.166 -11.706 1.00 0.00 O ATOM 154 CB PRO A 12 -7.942 11.542 -12.327 1.00 0.00 C ATOM 155 CG PRO A 12 -6.647 12.279 -12.337 1.00 0.00 C ATOM 156 CD PRO A 12 -6.429 12.752 -10.926 1.00 0.00 C ATOM 0 HA PRO A 12 -9.024 10.819 -10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.976 10.790 -13.115 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.782 12.216 -12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.832 11.632 -12.662 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.682 13.120 -13.030 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.370 12.772 -10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.813 13.761 -10.777 1.00 0.00 H new ATOM 164 N GLY A 13 -8.133 8.579 -10.234 1.00 0.00 N ATOM 165 CA GLY A 13 -7.721 7.188 -10.209 1.00 0.00 C ATOM 166 C GLY A 13 -7.345 6.719 -8.818 1.00 0.00 C ATOM 167 O GLY A 13 -6.465 5.874 -8.657 1.00 0.00 O ATOM 0 H GLY A 13 -8.929 8.801 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.530 6.566 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.870 7.052 -10.877 1.00 0.00 H new ATOM 171 N ASP A 14 -8.013 7.269 -7.809 1.00 0.00 N ATOM 172 CA ASP A 14 -7.744 6.902 -6.424 1.00 0.00 C ATOM 173 C ASP A 14 -9.036 6.545 -5.696 1.00 0.00 C ATOM 174 O ASP A 14 -9.975 7.339 -5.654 1.00 0.00 O ATOM 175 CB ASP A 14 -7.036 8.048 -5.699 1.00 0.00 C ATOM 176 CG ASP A 14 -5.529 7.984 -5.850 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.056 7.711 -6.973 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.821 8.207 -4.845 1.00 0.00 O ATOM 0 H ASP A 14 -8.744 7.970 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.095 6.027 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.397 8.999 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.294 8.019 -4.640 1.00 0.00 H new ATOM 183 N GLU A 15 -9.076 5.345 -5.125 1.00 0.00 N ATOM 184 CA GLU A 15 -10.254 4.882 -4.401 1.00 0.00 C ATOM 185 C GLU A 15 -10.496 5.732 -3.157 1.00 0.00 C ATOM 186 O GLU A 15 -9.594 5.931 -2.343 1.00 0.00 O ATOM 187 CB GLU A 15 -10.092 3.413 -4.005 1.00 0.00 C ATOM 188 CG GLU A 15 -8.810 3.126 -3.242 1.00 0.00 C ATOM 189 CD GLU A 15 -8.293 1.720 -3.478 1.00 0.00 C ATOM 190 OE1 GLU A 15 -7.509 1.529 -4.431 1.00 0.00 O ATOM 191 OE2 GLU A 15 -8.673 0.811 -2.711 1.00 0.00 O ATOM 0 H GLU A 15 -8.306 4.676 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.116 4.980 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.943 3.114 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.115 2.798 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.046 3.845 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.986 3.270 -2.176 1.00 0.00 H new ATOM 198 N CYS A 16 -11.719 6.232 -3.018 1.00 0.00 N ATOM 199 CA CYS A 16 -12.081 7.062 -1.875 1.00 0.00 C ATOM 200 C CYS A 16 -13.565 6.926 -1.552 1.00 0.00 C ATOM 201 O CYS A 16 -14.326 6.332 -2.317 1.00 0.00 O ATOM 202 CB CYS A 16 -11.739 8.526 -2.153 1.00 0.00 C ATOM 203 SG CYS A 16 -12.522 9.198 -3.638 1.00 0.00 S ATOM 0 H CYS A 16 -12.477 6.077 -3.683 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.508 6.720 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.038 9.127 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.658 8.623 -2.250 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.676 9.710 -3.327 1.00 0.00 H new ATOM 209 N PHE A 17 -13.971 7.478 -0.413 1.00 0.00 N ATOM 210 CA PHE A 17 -15.364 7.416 0.013 1.00 0.00 C ATOM 211 C PHE A 17 -16.071 8.743 -0.245 1.00 0.00 C ATOM 212 O PHE A 17 -15.625 9.796 0.211 1.00 0.00 O ATOM 213 CB PHE A 17 -15.450 7.060 1.498 1.00 0.00 C ATOM 214 CG PHE A 17 -15.533 5.583 1.757 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.396 4.793 1.706 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.747 4.985 2.053 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.469 3.433 1.943 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.827 3.626 2.291 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.686 2.849 2.237 1.00 0.00 C ATOM 0 H PHE A 17 -13.355 7.973 0.231 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.862 6.640 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.576 7.462 2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.325 7.546 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.442 5.245 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.642 5.588 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.576 2.828 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.780 3.172 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.745 1.787 2.424 1.00 0.00 H new ATOM 229 N ALA A 18 -17.176 8.685 -0.982 1.00 0.00 N ATOM 230 CA ALA A 18 -17.946 9.881 -1.300 1.00 0.00 C ATOM 231 C ALA A 18 -19.319 9.842 -0.638 1.00 0.00 C ATOM 232 O ALA A 18 -19.998 8.815 -0.653 1.00 0.00 O ATOM 233 CB ALA A 18 -18.089 10.030 -2.808 1.00 0.00 C ATOM 0 H ALA A 18 -17.558 7.822 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.408 10.745 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.666 10.927 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.101 10.112 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.603 9.158 -3.213 1.00 0.00 H new ATOM 239 N LEU A 19 -19.721 10.967 -0.056 1.00 0.00 N ATOM 240 CA LEU A 19 -21.014 11.062 0.613 1.00 0.00 C ATOM 241 C LEU A 19 -22.147 11.167 -0.403 1.00 0.00 C ATOM 242 O LEU A 19 -22.236 12.142 -1.149 1.00 0.00 O ATOM 243 CB LEU A 19 -21.039 12.272 1.549 1.00 0.00 C ATOM 244 CG LEU A 19 -21.926 12.144 2.787 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.325 11.156 3.775 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.124 13.503 3.444 1.00 0.00 C ATOM 0 H LEU A 19 -19.171 11.825 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.159 10.154 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.019 12.474 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.368 13.141 0.979 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.900 11.767 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.970 11.078 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.235 10.178 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.338 11.503 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.758 13.393 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.157 13.907 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.599 14.183 2.737 1.00 0.00 H new ATOM 258 N TYR A 20 -23.011 10.158 -0.424 1.00 0.00 N ATOM 259 CA TYR A 20 -24.138 10.137 -1.348 1.00 0.00 C ATOM 260 C TYR A 20 -25.007 11.379 -1.176 1.00 0.00 C ATOM 261 O TYR A 20 -25.040 11.984 -0.105 1.00 0.00 O ATOM 262 CB TYR A 20 -24.980 8.878 -1.131 1.00 0.00 C ATOM 263 CG TYR A 20 -25.667 8.385 -2.384 1.00 0.00 C ATOM 264 CD1 TYR A 20 -24.980 8.298 -3.588 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.003 8.005 -2.363 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.604 7.849 -4.736 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.635 7.553 -3.505 1.00 0.00 C ATOM 268 CZ TYR A 20 -26.932 7.477 -4.689 1.00 0.00 C ATOM 269 OH TYR A 20 -27.557 7.028 -5.830 1.00 0.00 O ATOM 0 H TYR A 20 -22.952 9.344 0.188 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.742 10.130 -2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.340 8.086 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.733 9.082 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.940 8.586 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.557 8.064 -1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.056 7.790 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.674 7.261 -3.471 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.489 6.806 -5.626 1.00 0.00 H new ATOM 279 N TRP A 21 -25.710 11.753 -2.239 1.00 0.00 N ATOM 280 CA TRP A 21 -26.581 12.923 -2.207 1.00 0.00 C ATOM 281 C TRP A 21 -28.021 12.521 -1.907 1.00 0.00 C ATOM 282 O TRP A 21 -28.912 13.369 -1.854 1.00 0.00 O ATOM 283 CB TRP A 21 -26.514 13.671 -3.540 1.00 0.00 C ATOM 284 CG TRP A 21 -27.029 12.869 -4.697 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.303 12.053 -5.517 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.381 12.809 -5.163 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.122 11.490 -6.465 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.402 11.937 -6.269 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.577 13.406 -4.754 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.572 11.650 -6.968 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.736 13.120 -5.449 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.727 12.248 -6.545 1.00 0.00 C ATOM 0 H TRP A 21 -25.694 11.263 -3.134 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.234 13.582 -1.411 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.090 14.593 -3.461 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.481 13.957 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.241 11.876 -5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.825 10.844 -7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.595 14.079 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.567 10.979 -7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.665 13.577 -5.142 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.650 12.044 -7.066 1.00 0.00 H new ATOM 303 N GLU A 22 -28.241 11.225 -1.710 1.00 0.00 N ATOM 304 CA GLU A 22 -29.574 10.714 -1.416 1.00 0.00 C ATOM 305 C GLU A 22 -29.603 10.020 -0.057 1.00 0.00 C ATOM 306 O GLU A 22 -30.661 9.609 0.420 1.00 0.00 O ATOM 307 CB GLU A 22 -30.024 9.740 -2.507 1.00 0.00 C ATOM 308 CG GLU A 22 -30.767 10.409 -3.651 1.00 0.00 C ATOM 309 CD GLU A 22 -32.233 10.641 -3.338 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.981 9.647 -3.226 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.631 11.817 -3.203 1.00 0.00 O ATOM 0 H GLU A 22 -27.514 10.511 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.261 11.560 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.150 9.224 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.667 8.981 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.292 11.364 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.684 9.790 -4.545 1.00 0.00 H new ATOM 318 N ASP A 23 -28.433 9.893 0.561 1.00 0.00 N ATOM 319 CA ASP A 23 -28.323 9.250 1.865 1.00 0.00 C ATOM 320 C ASP A 23 -27.436 10.066 2.800 1.00 0.00 C ATOM 321 O ASP A 23 -27.675 10.123 4.006 1.00 0.00 O ATOM 322 CB ASP A 23 -27.761 7.836 1.714 1.00 0.00 C ATOM 323 CG ASP A 23 -28.791 6.857 1.184 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.976 6.982 1.558 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.411 5.968 0.394 1.00 0.00 O ATOM 0 H ASP A 23 -27.548 10.227 0.180 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.321 9.192 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.905 7.859 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.397 7.488 2.680 1.00 0.00 H new ATOM 330 N ASN A 24 -26.411 10.696 2.235 1.00 0.00 N ATOM 331 CA ASN A 24 -25.487 11.508 3.019 1.00 0.00 C ATOM 332 C ASN A 24 -24.556 10.627 3.846 1.00 0.00 C ATOM 333 O ASN A 24 -24.078 11.032 4.906 1.00 0.00 O ATOM 334 CB ASN A 24 -26.261 12.455 3.938 1.00 0.00 C ATOM 335 CG ASN A 24 -27.510 13.008 3.280 1.00 0.00 C ATOM 336 OD1 ASN A 24 -27.589 13.105 2.055 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.495 13.374 4.092 1.00 0.00 N ATOM 0 H ASN A 24 -26.199 10.660 1.238 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.883 12.096 2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.538 11.926 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.613 13.281 4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -29.360 13.753 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.387 13.276 5.102 1.00 0.00 H new ATOM 344 N LYS A 25 -24.301 9.419 3.353 1.00 0.00 N ATOM 345 CA LYS A 25 -23.425 8.480 4.044 1.00 0.00 C ATOM 346 C LYS A 25 -22.181 8.185 3.213 1.00 0.00 C ATOM 347 O LYS A 25 -22.217 8.234 1.983 1.00 0.00 O ATOM 348 CB LYS A 25 -24.173 7.178 4.342 1.00 0.00 C ATOM 349 CG LYS A 25 -25.221 7.315 5.433 1.00 0.00 C ATOM 350 CD LYS A 25 -25.405 6.013 6.195 1.00 0.00 C ATOM 351 CE LYS A 25 -24.304 5.811 7.225 1.00 0.00 C ATOM 352 NZ LYS A 25 -24.419 4.492 7.908 1.00 0.00 N ATOM 0 H LYS A 25 -24.689 9.068 2.477 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.113 8.936 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.655 6.828 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.453 6.414 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -24.927 8.104 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.171 7.616 4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.375 6.015 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.408 5.178 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.332 5.884 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.349 6.609 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.651 4.392 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.336 4.432 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.351 3.729 7.204 1.00 0.00 H new ATOM 366 N PHE A 26 -21.081 7.877 3.892 1.00 0.00 N ATOM 367 CA PHE A 26 -19.825 7.573 3.217 1.00 0.00 C ATOM 368 C PHE A 26 -19.893 6.213 2.528 1.00 0.00 C ATOM 369 O PHE A 26 -20.178 5.197 3.163 1.00 0.00 O ATOM 370 CB PHE A 26 -18.666 7.594 4.215 1.00 0.00 C ATOM 371 CG PHE A 26 -18.340 8.969 4.726 1.00 0.00 C ATOM 372 CD1 PHE A 26 -17.780 9.919 3.887 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.594 9.311 6.044 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.478 11.184 4.355 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.294 10.574 6.518 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.737 11.513 5.671 1.00 0.00 C ATOM 0 H PHE A 26 -21.034 7.831 4.910 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.656 8.337 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.912 6.950 5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.780 7.172 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.577 9.668 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.032 8.582 6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.040 11.915 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.495 10.827 7.549 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.505 12.502 6.037 1.00 0.00 H new ATOM 386 N TYR A 27 -19.630 6.202 1.226 1.00 0.00 N ATOM 387 CA TYR A 27 -19.664 4.968 0.450 1.00 0.00 C ATOM 388 C TYR A 27 -18.452 4.871 -0.472 1.00 0.00 C ATOM 389 O TYR A 27 -17.997 5.873 -1.025 1.00 0.00 O ATOM 390 CB TYR A 27 -20.952 4.894 -0.372 1.00 0.00 C ATOM 391 CG TYR A 27 -22.208 4.888 0.469 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.306 4.086 1.600 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.296 5.684 0.134 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.452 4.077 2.371 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.445 5.683 0.900 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.519 4.877 2.018 1.00 0.00 C ATOM 397 OH TYR A 27 -25.662 4.872 2.784 1.00 0.00 O ATOM 0 H TYR A 27 -19.391 7.034 0.686 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.636 4.129 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -20.986 5.743 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.931 3.993 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.472 3.459 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.242 6.315 -0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.512 3.447 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.281 6.309 0.626 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.215 5.647 2.552 1.00 0.00 H new ATOM 407 N ARG A 28 -17.935 3.658 -0.633 1.00 0.00 N ATOM 408 CA ARG A 28 -16.776 3.428 -1.487 1.00 0.00 C ATOM 409 C ARG A 28 -16.961 4.097 -2.846 1.00 0.00 C ATOM 410 O ARG A 28 -18.061 4.109 -3.398 1.00 0.00 O ATOM 411 CB ARG A 28 -16.541 1.928 -1.673 1.00 0.00 C ATOM 412 CG ARG A 28 -15.090 1.568 -1.947 1.00 0.00 C ATOM 413 CD ARG A 28 -14.209 1.845 -0.739 1.00 0.00 C ATOM 414 NE ARG A 28 -12.911 1.185 -0.845 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.752 -0.134 -0.812 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.805 -0.928 -0.676 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.539 -0.660 -0.914 1.00 0.00 N ATOM 0 H ARG A 28 -18.300 2.819 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.905 3.867 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.874 1.403 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.157 1.572 -2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.020 0.514 -2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.727 2.139 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.062 2.920 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.716 1.505 0.164 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.081 1.768 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.739 -0.527 -0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.681 -1.940 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.727 -0.052 -1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.418 -1.673 -0.888 1.00 0.00 H new ATOM 431 N ALA A 29 -15.878 4.652 -3.380 1.00 0.00 N ATOM 432 CA ALA A 29 -15.921 5.321 -4.674 1.00 0.00 C ATOM 433 C ALA A 29 -14.520 5.493 -5.250 1.00 0.00 C ATOM 434 O ALA A 29 -13.541 5.012 -4.679 1.00 0.00 O ATOM 435 CB ALA A 29 -16.611 6.672 -4.548 1.00 0.00 C ATOM 0 H ALA A 29 -14.960 4.651 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.493 4.695 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.636 7.160 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.630 6.528 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.062 7.297 -3.843 1.00 0.00 H new ATOM 441 N GLU A 30 -14.431 6.180 -6.385 1.00 0.00 N ATOM 442 CA GLU A 30 -13.148 6.412 -7.038 1.00 0.00 C ATOM 443 C GLU A 30 -13.125 7.776 -7.722 1.00 0.00 C ATOM 444 O GLU A 30 -14.013 8.103 -8.510 1.00 0.00 O ATOM 445 CB GLU A 30 -12.865 5.311 -8.062 1.00 0.00 C ATOM 446 CG GLU A 30 -11.522 5.457 -8.757 1.00 0.00 C ATOM 447 CD GLU A 30 -11.466 4.717 -10.079 1.00 0.00 C ATOM 448 OE1 GLU A 30 -12.009 5.238 -11.075 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.878 3.615 -10.117 1.00 0.00 O ATOM 0 H GLU A 30 -15.231 6.585 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.372 6.395 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.903 4.343 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.655 5.313 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.318 6.514 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.735 5.083 -8.102 1.00 0.00 H new ATOM 456 N VAL A 31 -12.104 8.569 -7.414 1.00 0.00 N ATOM 457 CA VAL A 31 -11.964 9.897 -7.999 1.00 0.00 C ATOM 458 C VAL A 31 -11.939 9.828 -9.521 1.00 0.00 C ATOM 459 O VAL A 31 -11.002 9.294 -10.113 1.00 0.00 O ATOM 460 CB VAL A 31 -10.681 10.594 -7.507 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.522 11.952 -8.174 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.698 10.734 -5.992 1.00 0.00 C ATOM 0 H VAL A 31 -11.361 8.315 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.830 10.476 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.825 9.978 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.611 12.430 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.461 11.822 -9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.380 12.579 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.784 11.228 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.561 11.328 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.761 9.746 -5.536 1.00 0.00 H new ATOM 472 N GLU A 32 -12.977 10.372 -10.150 1.00 0.00 N ATOM 473 CA GLU A 32 -13.074 10.371 -11.605 1.00 0.00 C ATOM 474 C GLU A 32 -12.292 11.537 -12.203 1.00 0.00 C ATOM 475 O GLU A 32 -11.454 11.349 -13.085 1.00 0.00 O ATOM 476 CB GLU A 32 -14.539 10.449 -12.040 1.00 0.00 C ATOM 477 CG GLU A 32 -14.790 9.894 -13.432 1.00 0.00 C ATOM 478 CD GLU A 32 -14.465 10.893 -14.526 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.943 12.043 -14.442 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.730 10.523 -15.466 1.00 0.00 O ATOM 0 H GLU A 32 -13.761 10.818 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.642 9.440 -11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.152 9.902 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.864 11.489 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.189 8.996 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.835 9.595 -13.517 1.00 0.00 H new ATOM 487 N ALA A 33 -12.572 12.742 -11.717 1.00 0.00 N ATOM 488 CA ALA A 33 -11.895 13.938 -12.202 1.00 0.00 C ATOM 489 C ALA A 33 -12.159 15.128 -11.286 1.00 0.00 C ATOM 490 O ALA A 33 -13.260 15.285 -10.756 1.00 0.00 O ATOM 491 CB ALA A 33 -12.336 14.255 -13.623 1.00 0.00 C ATOM 0 H ALA A 33 -13.263 12.915 -10.987 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.822 13.744 -12.201 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.822 15.151 -13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.090 13.418 -14.276 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.413 14.424 -13.641 1.00 0.00 H new ATOM 497 N LEU A 34 -11.143 15.964 -11.101 1.00 0.00 N ATOM 498 CA LEU A 34 -11.265 17.140 -10.248 1.00 0.00 C ATOM 499 C LEU A 34 -11.693 18.359 -11.059 1.00 0.00 C ATOM 500 O LEU A 34 -11.590 18.369 -12.286 1.00 0.00 O ATOM 501 CB LEU A 34 -9.938 17.423 -9.542 1.00 0.00 C ATOM 502 CG LEU A 34 -9.250 16.219 -8.897 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.775 16.507 -8.668 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.934 15.853 -7.588 1.00 0.00 C ATOM 0 H LEU A 34 -10.225 15.849 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.031 16.937 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.252 17.864 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.113 18.173 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.332 15.370 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.302 15.639 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.293 16.720 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.671 17.369 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.432 14.994 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.884 16.699 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.977 15.603 -7.780 1.00 0.00 H new ATOM 516 N HIS A 35 -12.172 19.387 -10.365 1.00 0.00 N ATOM 517 CA HIS A 35 -12.613 20.613 -11.020 1.00 0.00 C ATOM 518 C HIS A 35 -11.552 21.703 -10.904 1.00 0.00 C ATOM 519 O HIS A 35 -11.109 22.038 -9.805 1.00 0.00 O ATOM 520 CB HIS A 35 -13.928 21.098 -10.410 1.00 0.00 C ATOM 521 CG HIS A 35 -14.512 22.285 -11.112 1.00 0.00 C ATOM 522 ND1 HIS A 35 -15.139 23.319 -10.448 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.560 22.601 -12.427 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.549 24.218 -11.325 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.210 23.806 -12.533 1.00 0.00 N ATOM 0 H HIS A 35 -12.264 19.395 -9.349 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.770 20.395 -12.076 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.651 20.282 -10.430 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.762 21.351 -9.363 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.161 22.015 -13.242 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.072 25.134 -11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.400 24.302 -13.404 1.00 0.00 H new ATOM 534 N SER A 36 -11.148 22.253 -12.045 1.00 0.00 N ATOM 535 CA SER A 36 -10.135 23.302 -12.071 1.00 0.00 C ATOM 536 C SER A 36 -10.253 24.202 -10.845 1.00 0.00 C ATOM 537 O SER A 36 -9.272 24.442 -10.141 1.00 0.00 O ATOM 538 CB SER A 36 -10.269 24.138 -13.346 1.00 0.00 C ATOM 539 OG SER A 36 -9.029 24.720 -13.707 1.00 0.00 O ATOM 0 H SER A 36 -11.506 21.990 -12.963 1.00 0.00 H new ATOM 0 HA SER A 36 -9.154 22.826 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.630 23.510 -14.160 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.012 24.921 -13.195 1.00 0.00 H new ATOM 0 HG SER A 36 -9.141 25.247 -14.525 1.00 0.00 H new ATOM 545 N SER A 37 -11.461 24.697 -10.596 1.00 0.00 N ATOM 546 CA SER A 37 -11.709 25.574 -9.457 1.00 0.00 C ATOM 547 C SER A 37 -10.997 25.058 -8.210 1.00 0.00 C ATOM 548 O SER A 37 -10.166 25.751 -7.624 1.00 0.00 O ATOM 549 CB SER A 37 -13.211 25.687 -9.191 1.00 0.00 C ATOM 550 OG SER A 37 -13.507 26.840 -8.422 1.00 0.00 O ATOM 0 H SER A 37 -12.284 24.506 -11.168 1.00 0.00 H new ATOM 0 HA SER A 37 -11.315 26.562 -9.697 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.749 25.730 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.559 24.797 -8.667 1.00 0.00 H new ATOM 0 HG SER A 37 -14.473 26.891 -8.267 1.00 0.00 H new ATOM 556 N GLY A 38 -11.330 23.835 -7.809 1.00 0.00 N ATOM 557 CA GLY A 38 -10.715 23.246 -6.634 1.00 0.00 C ATOM 558 C GLY A 38 -11.670 23.162 -5.460 1.00 0.00 C ATOM 559 O GLY A 38 -11.285 23.416 -4.319 1.00 0.00 O ATOM 0 H GLY A 38 -12.015 23.242 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.356 22.246 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.844 23.837 -6.349 1.00 0.00 H new ATOM 563 N MET A 39 -12.920 22.806 -5.740 1.00 0.00 N ATOM 564 CA MET A 39 -13.933 22.691 -4.697 1.00 0.00 C ATOM 565 C MET A 39 -14.623 21.332 -4.759 1.00 0.00 C ATOM 566 O MET A 39 -14.650 20.592 -3.775 1.00 0.00 O ATOM 567 CB MET A 39 -14.967 23.809 -4.835 1.00 0.00 C ATOM 568 CG MET A 39 -14.501 25.142 -4.273 1.00 0.00 C ATOM 569 SD MET A 39 -15.815 26.375 -4.228 1.00 0.00 S ATOM 570 CE MET A 39 -15.061 27.637 -3.205 1.00 0.00 C ATOM 0 H MET A 39 -13.255 22.592 -6.679 1.00 0.00 H new ATOM 0 HA MET A 39 -13.437 22.783 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.215 23.935 -5.889 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.883 23.510 -4.326 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.115 24.992 -3.265 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.676 25.518 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.754 28.470 -3.084 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.823 27.218 -2.227 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.147 27.992 -3.680 1.00 0.00 H new ATOM 580 N THR A 40 -15.182 21.009 -5.921 1.00 0.00 N ATOM 581 CA THR A 40 -15.874 19.741 -6.110 1.00 0.00 C ATOM 582 C THR A 40 -15.177 18.886 -7.162 1.00 0.00 C ATOM 583 O THR A 40 -14.375 19.385 -7.950 1.00 0.00 O ATOM 584 CB THR A 40 -17.340 19.958 -6.531 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.393 20.661 -7.777 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.098 20.740 -5.469 1.00 0.00 C ATOM 0 H THR A 40 -15.169 21.609 -6.746 1.00 0.00 H new ATOM 0 HA THR A 40 -15.852 19.223 -5.151 1.00 0.00 H new ATOM 0 HB THR A 40 -17.810 18.981 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.328 20.793 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.131 20.881 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.081 20.188 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.626 21.712 -5.327 1.00 0.00 H new ATOM 594 N ALA A 41 -15.490 17.594 -7.169 1.00 0.00 N ATOM 595 CA ALA A 41 -14.895 16.670 -8.127 1.00 0.00 C ATOM 596 C ALA A 41 -15.840 15.514 -8.434 1.00 0.00 C ATOM 597 O ALA A 41 -16.628 15.099 -7.584 1.00 0.00 O ATOM 598 CB ALA A 41 -13.569 16.143 -7.598 1.00 0.00 C ATOM 0 H ALA A 41 -16.152 17.164 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.714 17.214 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.136 15.454 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.885 16.976 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.735 15.621 -6.656 1.00 0.00 H new ATOM 604 N VAL A 42 -15.758 14.996 -9.656 1.00 0.00 N ATOM 605 CA VAL A 42 -16.606 13.888 -10.076 1.00 0.00 C ATOM 606 C VAL A 42 -16.072 12.559 -9.554 1.00 0.00 C ATOM 607 O VAL A 42 -14.979 12.129 -9.923 1.00 0.00 O ATOM 608 CB VAL A 42 -16.719 13.816 -11.610 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.624 12.667 -12.027 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.227 15.137 -12.169 1.00 0.00 C ATOM 0 H VAL A 42 -15.112 15.327 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.595 14.070 -9.655 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.727 13.631 -12.021 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.691 12.633 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.212 11.727 -11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.619 12.816 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.301 15.068 -13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.210 15.355 -11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.535 15.935 -11.902 1.00 0.00 H new ATOM 620 N VAL A 43 -16.850 11.911 -8.693 1.00 0.00 N ATOM 621 CA VAL A 43 -16.456 10.629 -8.121 1.00 0.00 C ATOM 622 C VAL A 43 -17.421 9.523 -8.534 1.00 0.00 C ATOM 623 O VAL A 43 -18.637 9.715 -8.541 1.00 0.00 O ATOM 624 CB VAL A 43 -16.397 10.695 -6.583 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.389 11.742 -6.132 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.775 10.988 -6.009 1.00 0.00 C ATOM 0 H VAL A 43 -17.757 12.253 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.462 10.403 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.071 9.725 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.361 11.775 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.401 11.484 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.682 12.719 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.715 11.031 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.132 11.944 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.467 10.199 -6.303 1.00 0.00 H new ATOM 636 N LYS A 44 -16.870 8.364 -8.878 1.00 0.00 N ATOM 637 CA LYS A 44 -17.680 7.224 -9.291 1.00 0.00 C ATOM 638 C LYS A 44 -17.827 6.219 -8.153 1.00 0.00 C ATOM 639 O LYS A 44 -16.836 5.772 -7.575 1.00 0.00 O ATOM 640 CB LYS A 44 -17.055 6.542 -10.510 1.00 0.00 C ATOM 641 CG LYS A 44 -18.029 5.676 -11.289 1.00 0.00 C ATOM 642 CD LYS A 44 -17.304 4.737 -12.239 1.00 0.00 C ATOM 643 CE LYS A 44 -18.257 3.728 -12.861 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.596 2.926 -13.928 1.00 0.00 N ATOM 0 H LYS A 44 -15.865 8.189 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.671 7.593 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.649 7.305 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.217 5.927 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.636 5.095 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.711 6.312 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.821 5.316 -13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.516 4.211 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.635 3.061 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.117 4.251 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.278 2.250 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.257 3.560 -14.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.791 2.407 -13.524 1.00 0.00 H new ATOM 658 N PHE A 45 -19.069 5.867 -7.838 1.00 0.00 N ATOM 659 CA PHE A 45 -19.345 4.914 -6.769 1.00 0.00 C ATOM 660 C PHE A 45 -19.080 3.484 -7.233 1.00 0.00 C ATOM 661 O PHE A 45 -19.095 3.194 -8.430 1.00 0.00 O ATOM 662 CB PHE A 45 -20.794 5.049 -6.298 1.00 0.00 C ATOM 663 CG PHE A 45 -21.023 6.225 -5.393 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.562 6.212 -4.086 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.700 7.345 -5.848 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.770 7.293 -3.251 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.912 8.429 -5.018 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.447 8.403 -3.717 1.00 0.00 C ATOM 0 H PHE A 45 -19.900 6.227 -8.307 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.678 5.137 -5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.444 5.139 -7.169 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.084 4.137 -5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.034 5.346 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.066 7.371 -6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.404 7.270 -2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.441 9.296 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.613 9.249 -3.066 1.00 0.00 H new ATOM 678 N THR A 46 -18.836 2.593 -6.276 1.00 0.00 N ATOM 679 CA THR A 46 -18.566 1.195 -6.585 1.00 0.00 C ATOM 680 C THR A 46 -19.832 0.353 -6.472 1.00 0.00 C ATOM 681 O THR A 46 -19.990 -0.644 -7.177 1.00 0.00 O ATOM 682 CB THR A 46 -17.490 0.611 -5.652 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.815 -0.473 -6.299 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.108 0.124 -4.350 1.00 0.00 C ATOM 0 H THR A 46 -18.820 2.816 -5.281 1.00 0.00 H new ATOM 0 HA THR A 46 -18.202 1.163 -7.612 1.00 0.00 H new ATOM 0 HB THR A 46 -16.774 1.400 -5.423 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.131 -0.837 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.328 -0.284 -3.707 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.595 0.958 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.844 -0.651 -4.564 1.00 0.00 H new ATOM 692 N ASP A 47 -20.730 0.760 -5.583 1.00 0.00 N ATOM 693 CA ASP A 47 -21.984 0.043 -5.379 1.00 0.00 C ATOM 694 C ASP A 47 -22.761 -0.076 -6.686 1.00 0.00 C ATOM 695 O ASP A 47 -23.016 -1.179 -7.170 1.00 0.00 O ATOM 696 CB ASP A 47 -22.837 0.754 -4.327 1.00 0.00 C ATOM 697 CG ASP A 47 -23.999 -0.097 -3.853 1.00 0.00 C ATOM 698 OD1 ASP A 47 -24.841 -0.474 -4.695 1.00 0.00 O ATOM 699 OD2 ASP A 47 -24.065 -0.386 -2.640 1.00 0.00 O ATOM 0 H ASP A 47 -20.614 1.583 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.747 -0.961 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.212 1.018 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.219 1.686 -4.743 1.00 0.00 H new ATOM 704 N TYR A 48 -23.135 1.066 -7.253 1.00 0.00 N ATOM 705 CA TYR A 48 -23.885 1.090 -8.502 1.00 0.00 C ATOM 706 C TYR A 48 -22.961 1.350 -9.688 1.00 0.00 C ATOM 707 O TYR A 48 -22.947 0.592 -10.657 1.00 0.00 O ATOM 708 CB TYR A 48 -24.976 2.161 -8.446 1.00 0.00 C ATOM 709 CG TYR A 48 -25.734 2.185 -7.138 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.246 2.887 -6.043 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.938 1.507 -6.998 1.00 0.00 C ATOM 712 CE1 TYR A 48 -25.934 2.912 -4.846 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.635 1.528 -5.804 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.128 2.231 -4.731 1.00 0.00 C ATOM 715 OH TYR A 48 -27.818 2.254 -3.541 1.00 0.00 O ATOM 0 H TYR A 48 -22.930 1.988 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 48 -24.351 0.113 -8.635 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.523 3.138 -8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.680 1.994 -9.261 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.312 3.423 -6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -27.337 0.954 -7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -25.539 3.462 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.571 0.997 -5.712 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.639 1.726 -3.628 1.00 0.00 H new ATOM 725 N GLY A 49 -22.190 2.429 -9.603 1.00 0.00 N ATOM 726 CA GLY A 49 -21.272 2.772 -10.674 1.00 0.00 C ATOM 727 C GLY A 49 -21.687 4.030 -11.412 1.00 0.00 C ATOM 728 O GLY A 49 -21.494 4.139 -12.622 1.00 0.00 O ATOM 0 H GLY A 49 -22.184 3.072 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.272 2.909 -10.262 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.215 1.943 -11.379 1.00 0.00 H new ATOM 732 N ASN A 50 -22.259 4.981 -10.682 1.00 0.00 N ATOM 733 CA ASN A 50 -22.704 6.237 -11.275 1.00 0.00 C ATOM 734 C ASN A 50 -21.852 7.403 -10.784 1.00 0.00 C ATOM 735 O ASN A 50 -21.223 7.324 -9.729 1.00 0.00 O ATOM 736 CB ASN A 50 -24.176 6.489 -10.942 1.00 0.00 C ATOM 737 CG ASN A 50 -24.507 6.155 -9.500 1.00 0.00 C ATOM 738 OD1 ASN A 50 -25.436 5.395 -9.225 1.00 0.00 O ATOM 739 ND2 ASN A 50 -23.748 6.725 -8.571 1.00 0.00 N ATOM 0 H ASN A 50 -22.426 4.906 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.592 6.159 -12.356 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.415 7.535 -11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.803 5.892 -11.604 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -23.925 6.539 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -22.989 7.348 -8.845 1.00 0.00 H new ATOM 746 N TYR A 51 -21.838 8.484 -11.555 1.00 0.00 N ATOM 747 CA TYR A 51 -21.063 9.667 -11.199 1.00 0.00 C ATOM 748 C TYR A 51 -21.900 10.640 -10.375 1.00 0.00 C ATOM 749 O TYR A 51 -23.078 10.855 -10.658 1.00 0.00 O ATOM 750 CB TYR A 51 -20.546 10.362 -12.460 1.00 0.00 C ATOM 751 CG TYR A 51 -19.711 9.466 -13.347 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.521 8.915 -12.889 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.114 9.169 -14.643 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.755 8.097 -13.696 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.355 8.350 -15.457 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.176 7.817 -14.979 1.00 0.00 C ATOM 757 OH TYR A 51 -17.417 7.001 -15.786 1.00 0.00 O ATOM 0 H TYR A 51 -22.354 8.566 -12.431 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.214 9.346 -10.595 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.395 10.736 -13.032 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.951 11.228 -12.169 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.189 9.130 -11.884 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.036 9.585 -15.021 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.831 7.679 -13.324 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.683 8.128 -16.462 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.855 6.904 -16.657 1.00 0.00 H new ATOM 767 N GLU A 52 -21.281 11.226 -9.355 1.00 0.00 N ATOM 768 CA GLU A 52 -21.969 12.176 -8.489 1.00 0.00 C ATOM 769 C GLU A 52 -21.033 13.306 -8.070 1.00 0.00 C ATOM 770 O GLU A 52 -19.923 13.063 -7.597 1.00 0.00 O ATOM 771 CB GLU A 52 -22.517 11.466 -7.249 1.00 0.00 C ATOM 772 CG GLU A 52 -23.835 10.749 -7.491 1.00 0.00 C ATOM 773 CD GLU A 52 -24.892 11.658 -8.088 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.832 12.880 -7.840 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.780 11.146 -8.802 1.00 0.00 O ATOM 0 H GLU A 52 -20.305 11.060 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.800 12.604 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.779 10.744 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.652 12.197 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.668 9.904 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.201 10.342 -6.549 1.00 0.00 H new ATOM 782 N GLU A 53 -21.491 14.542 -8.246 1.00 0.00 N ATOM 783 CA GLU A 53 -20.694 15.709 -7.888 1.00 0.00 C ATOM 784 C GLU A 53 -20.655 15.897 -6.374 1.00 0.00 C ATOM 785 O GLU A 53 -21.634 16.330 -5.765 1.00 0.00 O ATOM 786 CB GLU A 53 -21.259 16.965 -8.554 1.00 0.00 C ATOM 787 CG GLU A 53 -20.406 18.204 -8.342 1.00 0.00 C ATOM 788 CD GLU A 53 -21.015 19.446 -8.964 1.00 0.00 C ATOM 789 OE1 GLU A 53 -22.180 19.760 -8.643 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.325 20.103 -9.771 1.00 0.00 O ATOM 0 H GLU A 53 -22.409 14.760 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.677 15.545 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.361 16.784 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.260 17.153 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.269 18.368 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.417 18.037 -8.768 1.00 0.00 H new ATOM 797 N VAL A 54 -19.517 15.567 -5.771 1.00 0.00 N ATOM 798 CA VAL A 54 -19.349 15.700 -4.329 1.00 0.00 C ATOM 799 C VAL A 54 -18.150 16.579 -3.994 1.00 0.00 C ATOM 800 O VAL A 54 -17.148 16.582 -4.711 1.00 0.00 O ATOM 801 CB VAL A 54 -19.169 14.326 -3.657 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.554 14.396 -2.187 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.986 13.267 -4.381 1.00 0.00 C ATOM 0 H VAL A 54 -18.698 15.206 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.256 16.168 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.118 14.046 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.420 13.416 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.921 15.123 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.597 14.699 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.846 12.303 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.041 13.539 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.657 13.199 -5.418 1.00 0.00 H new ATOM 813 N LEU A 55 -18.257 17.324 -2.899 1.00 0.00 N ATOM 814 CA LEU A 55 -17.180 18.208 -2.467 1.00 0.00 C ATOM 815 C LEU A 55 -15.981 17.405 -1.974 1.00 0.00 C ATOM 816 O LEU A 55 -16.136 16.340 -1.375 1.00 0.00 O ATOM 817 CB LEU A 55 -17.673 19.141 -1.360 1.00 0.00 C ATOM 818 CG LEU A 55 -18.363 20.425 -1.822 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.342 20.915 -0.766 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.332 21.500 -2.137 1.00 0.00 C ATOM 0 H LEU A 55 -19.078 17.333 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.867 18.804 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.367 18.587 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.822 19.414 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.922 20.208 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.823 21.830 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.099 20.151 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.806 21.116 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.840 22.407 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.746 21.715 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.671 21.149 -2.929 1.00 0.00 H new ATOM 832 N LEU A 56 -14.784 17.923 -2.228 1.00 0.00 N ATOM 833 CA LEU A 56 -13.557 17.255 -1.808 1.00 0.00 C ATOM 834 C LEU A 56 -13.472 17.177 -0.287 1.00 0.00 C ATOM 835 O LEU A 56 -12.800 16.306 0.263 1.00 0.00 O ATOM 836 CB LEU A 56 -12.336 17.994 -2.361 1.00 0.00 C ATOM 837 CG LEU A 56 -12.355 18.293 -3.860 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.365 19.397 -4.197 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.046 17.035 -4.659 1.00 0.00 C ATOM 0 H LEU A 56 -14.637 18.803 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.571 16.240 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.233 18.937 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.447 17.403 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.354 18.635 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.393 19.596 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.631 20.303 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.360 19.084 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.064 17.267 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.059 16.663 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.794 16.273 -4.441 1.00 0.00 H new ATOM 851 N SER A 57 -14.161 18.093 0.386 1.00 0.00 N ATOM 852 CA SER A 57 -14.163 18.129 1.844 1.00 0.00 C ATOM 853 C SER A 57 -15.087 17.057 2.413 1.00 0.00 C ATOM 854 O SER A 57 -15.158 16.863 3.626 1.00 0.00 O ATOM 855 CB SER A 57 -14.598 19.509 2.341 1.00 0.00 C ATOM 856 OG SER A 57 -14.602 19.564 3.757 1.00 0.00 O ATOM 0 H SER A 57 -14.725 18.820 -0.055 1.00 0.00 H new ATOM 0 HA SER A 57 -13.148 17.930 2.189 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.925 20.270 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.594 19.738 1.962 1.00 0.00 H new ATOM 0 HG SER A 57 -14.680 18.657 4.119 1.00 0.00 H new ATOM 862 N ASN A 58 -15.794 16.363 1.527 1.00 0.00 N ATOM 863 CA ASN A 58 -16.715 15.310 1.939 1.00 0.00 C ATOM 864 C ASN A 58 -16.211 13.941 1.493 1.00 0.00 C ATOM 865 O ASN A 58 -16.981 12.985 1.400 1.00 0.00 O ATOM 866 CB ASN A 58 -18.108 15.567 1.360 1.00 0.00 C ATOM 867 CG ASN A 58 -18.740 16.829 1.914 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.217 17.442 2.844 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.872 17.223 1.342 1.00 0.00 N ATOM 0 H ASN A 58 -15.747 16.511 0.519 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.774 15.318 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.039 15.645 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.752 14.715 1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.344 18.065 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.270 16.683 0.573 1.00 0.00 H new ATOM 876 N ILE A 59 -14.913 13.855 1.221 1.00 0.00 N ATOM 877 CA ILE A 59 -14.306 12.602 0.787 1.00 0.00 C ATOM 878 C ILE A 59 -13.276 12.112 1.798 1.00 0.00 C ATOM 879 O ILE A 59 -12.426 12.876 2.256 1.00 0.00 O ATOM 880 CB ILE A 59 -13.629 12.752 -0.588 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.486 13.620 -1.512 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.387 11.385 -1.211 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.907 13.780 -2.900 1.00 0.00 C ATOM 0 H ILE A 59 -14.262 14.637 1.293 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.111 11.871 0.709 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.666 13.243 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.480 13.181 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.607 14.605 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.908 11.508 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.741 10.797 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.339 10.870 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.567 14.407 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.925 14.248 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.811 12.801 -3.369 1.00 0.00 H new ATOM 895 N LYS A 60 -13.355 10.831 2.141 1.00 0.00 N ATOM 896 CA LYS A 60 -12.428 10.234 3.096 1.00 0.00 C ATOM 897 C LYS A 60 -11.526 9.212 2.412 1.00 0.00 C ATOM 898 O LYS A 60 -11.977 8.377 1.628 1.00 0.00 O ATOM 899 CB LYS A 60 -13.199 9.568 4.238 1.00 0.00 C ATOM 900 CG LYS A 60 -14.518 10.249 4.560 1.00 0.00 C ATOM 901 CD LYS A 60 -14.312 11.486 5.418 1.00 0.00 C ATOM 902 CE LYS A 60 -14.119 12.730 4.565 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.620 13.955 5.248 1.00 0.00 N ATOM 0 H LYS A 60 -14.052 10.185 1.771 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.803 11.028 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.391 8.527 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.575 9.562 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.021 10.527 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.172 9.549 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.172 11.623 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.442 11.345 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.061 12.851 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.641 12.604 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.692 14.731 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.558 13.766 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.961 14.224 6.006 1.00 0.00 H new ATOM 917 N PRO A 61 -10.222 9.276 2.717 1.00 0.00 N ATOM 918 CA PRO A 61 -9.230 8.361 2.144 1.00 0.00 C ATOM 919 C PRO A 61 -9.383 6.937 2.668 1.00 0.00 C ATOM 920 O PRO A 61 -9.277 6.693 3.870 1.00 0.00 O ATOM 921 CB PRO A 61 -7.894 8.957 2.596 1.00 0.00 C ATOM 922 CG PRO A 61 -8.220 9.717 3.836 1.00 0.00 C ATOM 923 CD PRO A 61 -9.614 10.245 3.644 1.00 0.00 C ATOM 0 HA PRO A 61 -9.331 8.277 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.158 8.177 2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.472 9.609 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.164 9.074 4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.512 10.531 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.158 10.295 4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.608 11.252 3.226 1.00 0.00 H new ATOM 931 N VAL A 62 -9.632 6.000 1.759 1.00 0.00 N ATOM 932 CA VAL A 62 -9.799 4.600 2.130 1.00 0.00 C ATOM 933 C VAL A 62 -8.454 3.883 2.185 1.00 0.00 C ATOM 934 O VAL A 62 -7.583 4.114 1.348 1.00 0.00 O ATOM 935 CB VAL A 62 -10.721 3.863 1.142 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.229 4.045 -0.286 1.00 0.00 C ATOM 937 CG2 VAL A 62 -10.813 2.387 1.498 1.00 0.00 C ATOM 0 H VAL A 62 -9.723 6.185 0.760 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.256 4.587 3.119 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.720 4.294 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.893 3.517 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.220 5.106 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.220 3.643 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.469 1.882 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.820 1.940 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.216 2.280 2.505 1.00 0.00 H new