USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 TYR OH : rot -65:sc= 1.03 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.48) USER MOD Single : A 45 SER OG : rot -96:sc= -0.0146 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -0.916 (180deg=-1.79) USER MOD Single : A 58 MET CE :methyl -123:sc= -0.409 (180deg=-0.687) USER MOD Single : A 59 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.196 -6.013 7.949 1.00 0.00 N ATOM 83 CA GLY A 9 -10.402 -5.682 9.118 1.00 0.00 C ATOM 84 C GLY A 9 -9.007 -5.212 8.760 1.00 0.00 C ATOM 85 O GLY A 9 -8.452 -4.329 9.414 1.00 0.00 O ATOM 0 HA2 GLY A 9 -10.909 -4.903 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.332 -6.557 9.765 1.00 0.00 H new ATOM 89 N THR A 10 -8.435 -5.806 7.715 1.00 0.00 N ATOM 90 CA THR A 10 -7.094 -5.444 7.272 1.00 0.00 C ATOM 91 C THR A 10 -7.088 -4.078 6.596 1.00 0.00 C ATOM 92 O THR A 10 -6.236 -3.237 6.885 1.00 0.00 O ATOM 93 CB THR A 10 -6.526 -6.490 6.294 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.452 -7.769 6.934 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.144 -6.081 5.808 1.00 0.00 C ATOM 0 H THR A 10 -8.879 -6.538 7.161 1.00 0.00 H new ATOM 0 HA THR A 10 -6.465 -5.408 8.162 1.00 0.00 H new ATOM 0 HB THR A 10 -7.193 -6.552 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.092 -8.429 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.763 -6.835 5.119 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.208 -5.121 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.470 -5.994 6.660 1.00 0.00 H new ATOM 103 N ILE A 11 -8.043 -3.863 5.698 1.00 0.00 N ATOM 104 CA ILE A 11 -8.146 -2.596 4.983 1.00 0.00 C ATOM 105 C ILE A 11 -8.263 -1.426 5.953 1.00 0.00 C ATOM 106 O ILE A 11 -7.472 -0.484 5.904 1.00 0.00 O ATOM 107 CB ILE A 11 -9.358 -2.584 4.033 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.291 -3.772 3.070 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.416 -1.274 3.264 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.573 -4.572 3.007 1.00 0.00 C ATOM 0 H ILE A 11 -8.756 -4.548 5.448 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.233 -2.489 4.397 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.267 -2.673 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.051 -3.407 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.476 -4.430 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.278 -1.281 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.507 -0.444 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.505 -1.156 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.453 -5.397 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.804 -4.967 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.387 -3.929 2.674 1.00 0.00 H new ATOM 122 N ASP A 12 -9.254 -1.493 6.836 1.00 0.00 N ATOM 123 CA ASP A 12 -9.473 -0.439 7.820 1.00 0.00 C ATOM 124 C ASP A 12 -8.146 0.115 8.327 1.00 0.00 C ATOM 125 O ASP A 12 -8.013 1.315 8.562 1.00 0.00 O ATOM 126 CB ASP A 12 -10.299 -0.971 8.992 1.00 0.00 C ATOM 127 CG ASP A 12 -10.596 0.099 10.024 1.00 0.00 C ATOM 128 OD1 ASP A 12 -9.639 0.747 10.499 1.00 0.00 O ATOM 129 OD2 ASP A 12 -11.785 0.289 10.358 1.00 0.00 O ATOM 0 H ASP A 12 -9.918 -2.266 6.890 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.022 0.369 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.237 -1.379 8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.762 -1.792 9.468 1.00 0.00 H new ATOM 134 N GLN A 13 -7.167 -0.768 8.495 1.00 0.00 N ATOM 135 CA GLN A 13 -5.851 -0.367 8.976 1.00 0.00 C ATOM 136 C GLN A 13 -4.978 0.129 7.828 1.00 0.00 C ATOM 137 O GLN A 13 -4.340 1.178 7.927 1.00 0.00 O ATOM 138 CB GLN A 13 -5.164 -1.537 9.684 1.00 0.00 C ATOM 139 CG GLN A 13 -5.747 -1.846 11.054 1.00 0.00 C ATOM 140 CD GLN A 13 -4.699 -2.321 12.040 1.00 0.00 C ATOM 141 OE1 GLN A 13 -3.776 -3.052 11.679 1.00 0.00 O ATOM 142 NE2 GLN A 13 -4.836 -1.908 13.295 1.00 0.00 N ATOM 0 H GLN A 13 -7.261 -1.766 8.305 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.986 0.450 9.685 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.240 -2.425 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.103 -1.313 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.233 -0.953 11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.518 -2.610 10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.616 -1.303 13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.161 -2.196 14.003 1.00 0.00 H new ATOM 151 N LEU A 14 -4.955 -0.630 6.738 1.00 0.00 N ATOM 152 CA LEU A 14 -4.161 -0.268 5.569 1.00 0.00 C ATOM 153 C LEU A 14 -4.453 1.166 5.136 1.00 0.00 C ATOM 154 O LEU A 14 -3.582 2.033 5.197 1.00 0.00 O ATOM 155 CB LEU A 14 -4.448 -1.230 4.415 1.00 0.00 C ATOM 156 CG LEU A 14 -3.779 -0.896 3.081 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.265 -0.933 3.220 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.241 -1.859 1.997 1.00 0.00 C ATOM 0 H LEU A 14 -5.477 -1.500 6.639 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.107 -0.339 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.135 -2.230 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.526 -1.267 4.259 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.072 0.113 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.806 -0.693 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.950 -0.203 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.953 -1.929 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.755 -1.606 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.978 -2.878 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.322 -1.783 1.879 1.00 0.00 H new ATOM 170 N VAL A 15 -5.684 1.408 4.699 1.00 0.00 N ATOM 171 CA VAL A 15 -6.093 2.737 4.259 1.00 0.00 C ATOM 172 C VAL A 15 -5.576 3.812 5.208 1.00 0.00 C ATOM 173 O VAL A 15 -5.035 4.830 4.774 1.00 0.00 O ATOM 174 CB VAL A 15 -7.626 2.849 4.161 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.051 4.307 4.096 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.139 2.081 2.952 1.00 0.00 C ATOM 0 H VAL A 15 -6.417 0.701 4.640 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.661 2.890 3.270 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.064 2.407 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.137 4.367 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.715 4.824 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.605 4.777 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.224 2.171 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.695 2.491 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.866 1.030 3.046 1.00 0.00 H new ATOM 186 N LYS A 16 -5.743 3.580 6.505 1.00 0.00 N ATOM 187 CA LYS A 16 -5.292 4.528 7.518 1.00 0.00 C ATOM 188 C LYS A 16 -3.837 4.921 7.284 1.00 0.00 C ATOM 189 O LYS A 16 -3.453 6.071 7.499 1.00 0.00 O ATOM 190 CB LYS A 16 -5.452 3.927 8.916 1.00 0.00 C ATOM 191 CG LYS A 16 -4.132 3.575 9.580 1.00 0.00 C ATOM 192 CD LYS A 16 -4.345 2.787 10.862 1.00 0.00 C ATOM 193 CE LYS A 16 -3.153 1.898 11.175 1.00 0.00 C ATOM 194 NZ LYS A 16 -2.899 1.803 12.639 1.00 0.00 N ATOM 0 H LYS A 16 -6.188 2.743 6.881 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.909 5.424 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.990 4.634 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.066 3.029 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.521 2.992 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.580 4.488 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.514 3.476 11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.242 2.175 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.328 0.901 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.266 2.291 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.078 1.188 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.706 2.751 13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.735 1.404 13.111 1.00 0.00 H new ATOM 208 N ARG A 17 -3.032 3.960 6.843 1.00 0.00 N ATOM 209 CA ARG A 17 -1.620 4.206 6.580 1.00 0.00 C ATOM 210 C ARG A 17 -1.444 5.166 5.407 1.00 0.00 C ATOM 211 O ARG A 17 -1.050 6.318 5.588 1.00 0.00 O ATOM 212 CB ARG A 17 -0.896 2.890 6.289 1.00 0.00 C ATOM 213 CG ARG A 17 -1.176 1.802 7.312 1.00 0.00 C ATOM 214 CD ARG A 17 -0.190 0.652 7.187 1.00 0.00 C ATOM 215 NE ARG A 17 -0.007 -0.053 8.453 1.00 0.00 N ATOM 216 CZ ARG A 17 -0.808 -1.026 8.875 1.00 0.00 C ATOM 217 NH1 ARG A 17 -1.840 -1.406 8.134 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.577 -1.619 10.038 1.00 0.00 N ATOM 0 H ARG A 17 -3.334 3.003 6.660 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.185 4.663 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.191 2.533 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.177 3.076 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.121 2.222 8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.191 1.428 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.544 -0.048 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.771 1.034 6.843 1.00 0.00 H new ATOM 0 HE ARG A 17 0.778 0.216 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.020 -0.951 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.454 -2.153 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.216 -1.329 10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.192 -2.366 10.361 1.00 0.00 H new ATOM 232 N VAL A 18 -1.739 4.682 4.204 1.00 0.00 N ATOM 233 CA VAL A 18 -1.615 5.497 3.002 1.00 0.00 C ATOM 234 C VAL A 18 -2.063 6.931 3.261 1.00 0.00 C ATOM 235 O VAL A 18 -1.621 7.862 2.585 1.00 0.00 O ATOM 236 CB VAL A 18 -2.443 4.914 1.841 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.903 3.553 1.431 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.911 4.821 2.229 1.00 0.00 C ATOM 0 H VAL A 18 -2.065 3.730 4.037 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.561 5.494 2.725 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.359 5.583 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.500 3.157 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.866 3.655 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.955 2.870 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.482 4.407 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.017 4.174 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.288 5.815 2.468 1.00 0.00 H new ATOM 248 N ILE A 19 -2.941 7.103 4.243 1.00 0.00 N ATOM 249 CA ILE A 19 -3.446 8.425 4.592 1.00 0.00 C ATOM 250 C ILE A 19 -2.403 9.226 5.364 1.00 0.00 C ATOM 251 O ILE A 19 -1.939 10.267 4.899 1.00 0.00 O ATOM 252 CB ILE A 19 -4.732 8.331 5.435 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.834 7.620 4.646 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.188 9.718 5.861 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.649 8.550 3.775 1.00 0.00 C ATOM 0 H ILE A 19 -3.317 6.344 4.811 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.671 8.935 3.655 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.520 7.749 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.383 6.851 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.500 7.112 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.098 9.635 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.407 10.191 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.387 10.323 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.411 7.978 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.129 9.304 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.995 9.039 3.053 1.00 0.00 H new ATOM 267 N GLU A 20 -2.040 8.734 6.544 1.00 0.00 N ATOM 268 CA GLU A 20 -1.051 9.404 7.379 1.00 0.00 C ATOM 269 C GLU A 20 0.338 9.317 6.753 1.00 0.00 C ATOM 270 O GLU A 20 1.264 10.015 7.169 1.00 0.00 O ATOM 271 CB GLU A 20 -1.031 8.788 8.780 1.00 0.00 C ATOM 272 CG GLU A 20 -2.397 8.333 9.263 1.00 0.00 C ATOM 273 CD GLU A 20 -2.812 9.008 10.556 1.00 0.00 C ATOM 274 OE1 GLU A 20 -3.437 10.088 10.488 1.00 0.00 O ATOM 275 OE2 GLU A 20 -2.513 8.457 11.637 1.00 0.00 O ATOM 0 H GLU A 20 -2.416 7.874 6.943 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.331 10.455 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.351 7.936 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.631 9.518 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.139 8.543 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.386 7.253 9.408 1.00 0.00 H new ATOM 282 N GLY A 21 0.476 8.455 5.751 1.00 0.00 N ATOM 283 CA GLY A 21 1.755 8.292 5.084 1.00 0.00 C ATOM 284 C GLY A 21 2.719 7.433 5.880 1.00 0.00 C ATOM 285 O GLY A 21 3.833 7.161 5.432 1.00 0.00 O ATOM 0 H GLY A 21 -0.274 7.867 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.596 7.841 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.201 9.272 4.915 1.00 0.00 H new ATOM 289 N SER A 22 2.290 7.007 7.063 1.00 0.00 N ATOM 290 CA SER A 22 3.124 6.178 7.925 1.00 0.00 C ATOM 291 C SER A 22 3.879 5.134 7.109 1.00 0.00 C ATOM 292 O SER A 22 4.937 4.653 7.521 1.00 0.00 O ATOM 293 CB SER A 22 2.267 5.489 8.989 1.00 0.00 C ATOM 294 OG SER A 22 3.019 4.519 9.699 1.00 0.00 O ATOM 0 H SER A 22 1.370 7.222 7.447 1.00 0.00 H new ATOM 0 HA SER A 22 3.851 6.824 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.877 6.232 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.408 5.013 8.517 1.00 0.00 H new ATOM 0 HG SER A 22 2.450 4.094 10.374 1.00 0.00 H new ATOM 300 N LEU A 23 3.331 4.787 5.950 1.00 0.00 N ATOM 301 CA LEU A 23 3.952 3.800 5.074 1.00 0.00 C ATOM 302 C LEU A 23 4.548 4.466 3.838 1.00 0.00 C ATOM 303 O LEU A 23 3.928 5.340 3.233 1.00 0.00 O ATOM 304 CB LEU A 23 2.927 2.745 4.655 1.00 0.00 C ATOM 305 CG LEU A 23 2.266 2.956 3.291 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.653 1.658 2.789 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.211 4.049 3.374 1.00 0.00 C ATOM 0 H LEU A 23 2.457 5.175 5.595 1.00 0.00 H new ATOM 0 HA LEU A 23 4.757 3.316 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.418 1.772 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.145 2.706 5.413 1.00 0.00 H new ATOM 0 HG LEU A 23 3.032 3.270 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.188 1.827 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.432 0.902 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.900 1.314 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.751 4.186 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.447 3.763 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.678 4.982 3.689 1.00 0.00 H new ATOM 319 N SER A 24 5.753 4.046 3.468 1.00 0.00 N ATOM 320 CA SER A 24 6.433 4.603 2.306 1.00 0.00 C ATOM 321 C SER A 24 5.589 4.430 1.047 1.00 0.00 C ATOM 322 O SER A 24 4.642 3.644 1.007 1.00 0.00 O ATOM 323 CB SER A 24 7.796 3.932 2.116 1.00 0.00 C ATOM 324 OG SER A 24 8.831 4.707 2.697 1.00 0.00 O ATOM 0 H SER A 24 6.279 3.321 3.957 1.00 0.00 H new ATOM 0 HA SER A 24 6.581 5.669 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.783 2.940 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.993 3.795 1.053 1.00 0.00 H new ATOM 0 HG SER A 24 9.691 4.257 2.564 1.00 0.00 H new ATOM 330 N PRO A 25 5.939 5.181 -0.007 1.00 0.00 N ATOM 331 CA PRO A 25 5.227 5.128 -1.288 1.00 0.00 C ATOM 332 C PRO A 25 5.455 3.814 -2.025 1.00 0.00 C ATOM 333 O PRO A 25 4.593 3.350 -2.771 1.00 0.00 O ATOM 334 CB PRO A 25 5.827 6.295 -2.076 1.00 0.00 C ATOM 335 CG PRO A 25 7.182 6.491 -1.488 1.00 0.00 C ATOM 336 CD PRO A 25 7.056 6.140 -0.031 1.00 0.00 C ATOM 0 HA PRO A 25 4.147 5.195 -1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.886 6.066 -3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.219 7.194 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.917 5.854 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.517 7.521 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.974 5.698 0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.844 7.019 0.577 1.00 0.00 H new ATOM 344 N LYS A 26 6.623 3.216 -1.811 1.00 0.00 N ATOM 345 CA LYS A 26 6.965 1.953 -2.453 1.00 0.00 C ATOM 346 C LYS A 26 6.160 0.802 -1.856 1.00 0.00 C ATOM 347 O LYS A 26 5.702 -0.085 -2.574 1.00 0.00 O ATOM 348 CB LYS A 26 8.462 1.672 -2.307 1.00 0.00 C ATOM 349 CG LYS A 26 8.975 0.598 -3.251 1.00 0.00 C ATOM 350 CD LYS A 26 9.596 1.202 -4.498 1.00 0.00 C ATOM 351 CE LYS A 26 11.025 0.721 -4.700 1.00 0.00 C ATOM 352 NZ LYS A 26 11.908 1.805 -5.210 1.00 0.00 N ATOM 0 H LYS A 26 7.349 3.587 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 26 6.718 2.034 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.015 2.594 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.668 1.370 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.714 -0.017 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.154 -0.061 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.996 0.938 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.585 2.289 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.419 0.346 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.032 -0.113 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.873 1.437 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.547 2.146 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.922 2.591 -4.529 1.00 0.00 H new ATOM 366 N GLU A 27 5.992 0.826 -0.537 1.00 0.00 N ATOM 367 CA GLU A 27 5.242 -0.215 0.155 1.00 0.00 C ATOM 368 C GLU A 27 3.857 -0.389 -0.462 1.00 0.00 C ATOM 369 O GLU A 27 3.399 -1.511 -0.679 1.00 0.00 O ATOM 370 CB GLU A 27 5.111 0.123 1.642 1.00 0.00 C ATOM 371 CG GLU A 27 6.043 -0.681 2.533 1.00 0.00 C ATOM 372 CD GLU A 27 5.405 -1.955 3.046 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.305 -1.875 3.632 1.00 0.00 O ATOM 374 OE2 GLU A 27 6.005 -3.035 2.863 1.00 0.00 O ATOM 0 H GLU A 27 6.365 1.554 0.072 1.00 0.00 H new ATOM 0 HA GLU A 27 5.788 -1.152 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.313 1.185 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.082 -0.051 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.946 -0.930 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.350 -0.067 3.379 1.00 0.00 H new ATOM 381 N ARG A 28 3.195 0.729 -0.743 1.00 0.00 N ATOM 382 CA ARG A 28 1.863 0.701 -1.332 1.00 0.00 C ATOM 383 C ARG A 28 1.832 -0.198 -2.564 1.00 0.00 C ATOM 384 O ARG A 28 1.045 -1.144 -2.639 1.00 0.00 O ATOM 385 CB ARG A 28 1.419 2.115 -1.710 1.00 0.00 C ATOM 386 CG ARG A 28 1.282 3.049 -0.518 1.00 0.00 C ATOM 387 CD ARG A 28 0.794 4.426 -0.942 1.00 0.00 C ATOM 388 NE ARG A 28 1.547 5.497 -0.296 1.00 0.00 N ATOM 389 CZ ARG A 28 1.427 6.779 -0.620 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.588 7.148 -1.579 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.148 7.695 0.014 1.00 0.00 N ATOM 0 H ARG A 28 3.561 1.666 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 28 1.174 0.297 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.139 2.538 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.462 2.060 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.585 2.621 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.244 3.142 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.881 4.524 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.263 4.527 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 28 2.201 5.247 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.033 6.446 -2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.498 8.133 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.795 7.414 0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.055 8.680 -0.236 1.00 0.00 H new ATOM 405 N THR A 29 2.696 0.100 -3.531 1.00 0.00 N ATOM 406 CA THR A 29 2.767 -0.680 -4.760 1.00 0.00 C ATOM 407 C THR A 29 3.107 -2.137 -4.468 1.00 0.00 C ATOM 408 O THR A 29 2.776 -3.030 -5.248 1.00 0.00 O ATOM 409 CB THR A 29 3.815 -0.104 -5.730 1.00 0.00 C ATOM 410 OG1 THR A 29 3.298 1.064 -6.375 1.00 0.00 O ATOM 411 CG2 THR A 29 4.207 -1.136 -6.778 1.00 0.00 C ATOM 0 H THR A 29 3.356 0.876 -3.486 1.00 0.00 H new ATOM 0 HA THR A 29 1.783 -0.626 -5.226 1.00 0.00 H new ATOM 0 HB THR A 29 4.701 0.162 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.972 1.424 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.948 -0.707 -7.452 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.629 -2.012 -6.286 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.325 -1.429 -7.348 1.00 0.00 H new ATOM 419 N LEU A 30 3.768 -2.371 -3.340 1.00 0.00 N ATOM 420 CA LEU A 30 4.152 -3.721 -2.944 1.00 0.00 C ATOM 421 C LEU A 30 2.964 -4.475 -2.357 1.00 0.00 C ATOM 422 O LEU A 30 2.858 -5.695 -2.497 1.00 0.00 O ATOM 423 CB LEU A 30 5.292 -3.670 -1.924 1.00 0.00 C ATOM 424 CG LEU A 30 6.623 -3.116 -2.433 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.616 -2.975 -1.289 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.190 -4.010 -3.526 1.00 0.00 C ATOM 0 H LEU A 30 4.049 -1.643 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 30 4.492 -4.251 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.969 -3.064 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.461 -4.679 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 30 6.445 -2.127 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.557 -2.579 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.213 -2.294 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.790 -3.951 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.137 -3.600 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.353 -5.012 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.487 -4.059 -4.357 1.00 0.00 H new ATOM 438 N LEU A 31 2.070 -3.743 -1.701 1.00 0.00 N ATOM 439 CA LEU A 31 0.887 -4.342 -1.094 1.00 0.00 C ATOM 440 C LEU A 31 0.229 -5.334 -2.049 1.00 0.00 C ATOM 441 O LEU A 31 -0.248 -6.390 -1.632 1.00 0.00 O ATOM 442 CB LEU A 31 -0.115 -3.255 -0.701 1.00 0.00 C ATOM 443 CG LEU A 31 0.380 -2.220 0.310 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.621 -1.084 0.446 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.637 -2.873 1.661 1.00 0.00 C ATOM 0 H LEU A 31 2.142 -2.733 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 31 1.200 -4.879 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.425 -2.731 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.002 -3.738 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 31 1.320 -1.806 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.251 -0.358 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.753 -0.598 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.577 -1.481 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.989 -2.121 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.287 -3.316 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.394 -3.650 1.552 1.00 0.00 H new ATOM 457 N LYS A 32 0.209 -4.989 -3.332 1.00 0.00 N ATOM 458 CA LYS A 32 -0.386 -5.850 -4.347 1.00 0.00 C ATOM 459 C LYS A 32 0.319 -7.201 -4.396 1.00 0.00 C ATOM 460 O LYS A 32 -0.315 -8.233 -4.613 1.00 0.00 O ATOM 461 CB LYS A 32 -0.318 -5.176 -5.720 1.00 0.00 C ATOM 462 CG LYS A 32 -0.699 -3.705 -5.696 1.00 0.00 C ATOM 463 CD LYS A 32 -1.709 -3.374 -6.781 1.00 0.00 C ATOM 464 CE LYS A 32 -2.221 -1.948 -6.648 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.055 -1.180 -7.913 1.00 0.00 N ATOM 0 H LYS A 32 0.598 -4.118 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.430 -6.015 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.694 -5.274 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.980 -5.703 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.115 -3.452 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.194 -3.095 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.250 -3.507 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.546 -4.069 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.274 -1.965 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.686 -1.443 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.416 -0.213 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.047 -1.142 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.586 -1.647 -8.675 1.00 0.00 H new ATOM 479 N GLU A 33 1.632 -7.186 -4.190 1.00 0.00 N ATOM 480 CA GLU A 33 2.421 -8.412 -4.211 1.00 0.00 C ATOM 481 C GLU A 33 2.042 -9.322 -3.046 1.00 0.00 C ATOM 482 O GLU A 33 2.352 -10.514 -3.049 1.00 0.00 O ATOM 483 CB GLU A 33 3.914 -8.085 -4.152 1.00 0.00 C ATOM 484 CG GLU A 33 4.351 -7.050 -5.176 1.00 0.00 C ATOM 485 CD GLU A 33 5.850 -7.057 -5.409 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.601 -7.242 -4.429 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.271 -6.877 -6.571 1.00 0.00 O ATOM 0 H GLU A 33 2.171 -6.340 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 33 2.208 -8.935 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.159 -7.722 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.484 -9.001 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.839 -7.239 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.044 -6.060 -4.840 1.00 0.00 H new ATOM 494 N ASP A 34 1.372 -8.752 -2.051 1.00 0.00 N ATOM 495 CA ASP A 34 0.950 -9.512 -0.880 1.00 0.00 C ATOM 496 C ASP A 34 -0.426 -10.133 -1.100 1.00 0.00 C ATOM 497 O ASP A 34 -1.304 -9.547 -1.735 1.00 0.00 O ATOM 498 CB ASP A 34 0.924 -8.611 0.356 1.00 0.00 C ATOM 499 CG ASP A 34 1.536 -9.277 1.572 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.502 -10.051 1.402 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.051 -9.024 2.694 1.00 0.00 O ATOM 0 H ASP A 34 1.109 -7.767 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 34 1.669 -10.315 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.463 -7.689 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.106 -8.333 0.578 1.00 0.00 H new ATOM 506 N PRO A 35 -0.619 -11.348 -0.567 1.00 0.00 N ATOM 507 CA PRO A 35 -1.886 -12.076 -0.693 1.00 0.00 C ATOM 508 C PRO A 35 -3.006 -11.433 0.117 1.00 0.00 C ATOM 509 O PRO A 35 -4.173 -11.486 -0.270 1.00 0.00 O ATOM 510 CB PRO A 35 -1.553 -13.464 -0.139 1.00 0.00 C ATOM 511 CG PRO A 35 -0.411 -13.238 0.789 1.00 0.00 C ATOM 512 CD PRO A 35 0.384 -12.105 0.202 1.00 0.00 C ATOM 0 HA PRO A 35 -2.250 -12.088 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.407 -13.897 0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.283 -14.155 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.765 -12.989 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.200 -14.136 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.843 -11.492 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.190 -12.468 -0.436 1.00 0.00 H new ATOM 520 N ALA A 36 -2.644 -10.827 1.243 1.00 0.00 N ATOM 521 CA ALA A 36 -3.619 -10.172 2.106 1.00 0.00 C ATOM 522 C ALA A 36 -4.361 -9.070 1.359 1.00 0.00 C ATOM 523 O ALA A 36 -5.511 -8.760 1.671 1.00 0.00 O ATOM 524 CB ALA A 36 -2.935 -9.607 3.341 1.00 0.00 C ATOM 0 H ALA A 36 -1.682 -10.776 1.579 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.350 -10.918 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.675 -9.121 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.457 -10.415 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.182 -8.879 3.039 1.00 0.00 H new ATOM 530 N TYR A 37 -3.696 -8.481 0.371 1.00 0.00 N ATOM 531 CA TYR A 37 -4.291 -7.409 -0.419 1.00 0.00 C ATOM 532 C TYR A 37 -4.560 -7.871 -1.849 1.00 0.00 C ATOM 533 O TYR A 37 -4.126 -7.235 -2.810 1.00 0.00 O ATOM 534 CB TYR A 37 -3.376 -6.185 -0.430 1.00 0.00 C ATOM 535 CG TYR A 37 -2.849 -5.810 0.937 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.684 -5.250 1.895 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.516 -6.018 1.270 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.207 -4.905 3.145 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.031 -5.678 2.518 1.00 0.00 C ATOM 540 CZ TYR A 37 -1.880 -5.122 3.451 1.00 0.00 C ATOM 541 OH TYR A 37 -1.401 -4.781 4.696 1.00 0.00 O ATOM 0 H TYR A 37 -2.745 -8.728 0.098 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.241 -7.138 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.534 -6.378 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.922 -5.338 -0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.724 -5.081 1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.848 -6.453 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.869 -4.468 3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.008 -5.847 2.761 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.447 -4.999 4.751 1.00 0.00 H new ATOM 551 N TRP A 38 -5.277 -8.981 -1.980 1.00 0.00 N ATOM 552 CA TRP A 38 -5.604 -9.528 -3.291 1.00 0.00 C ATOM 553 C TRP A 38 -6.765 -8.770 -3.925 1.00 0.00 C ATOM 554 O TRP A 38 -6.856 -8.661 -5.147 1.00 0.00 O ATOM 555 CB TRP A 38 -5.954 -11.013 -3.174 1.00 0.00 C ATOM 556 CG TRP A 38 -7.175 -11.272 -2.345 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.212 -11.770 -1.074 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.536 -11.050 -2.732 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.514 -11.870 -0.646 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.345 -11.434 -1.644 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.149 -10.563 -3.889 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.733 -11.345 -1.683 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.527 -10.475 -3.925 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.308 -10.864 -2.828 1.00 0.00 C ATOM 0 H TRP A 38 -5.643 -9.520 -1.195 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.729 -9.416 -3.931 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.108 -11.422 -4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.108 -11.545 -2.738 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.345 -12.045 -0.491 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.813 -12.213 0.267 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.556 -10.261 -4.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.336 -11.645 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.011 -10.100 -4.814 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.383 -10.783 -2.887 1.00 0.00 H new ATOM 575 N PHE A 39 -7.652 -8.245 -3.085 1.00 0.00 N ATOM 576 CA PHE A 39 -8.808 -7.496 -3.563 1.00 0.00 C ATOM 577 C PHE A 39 -8.370 -6.287 -4.386 1.00 0.00 C ATOM 578 O PHE A 39 -9.108 -5.809 -5.248 1.00 0.00 O ATOM 579 CB PHE A 39 -9.670 -7.039 -2.384 1.00 0.00 C ATOM 580 CG PHE A 39 -8.876 -6.433 -1.261 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.526 -5.093 -1.287 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.483 -7.205 -0.179 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.796 -4.534 -0.255 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.753 -6.650 0.855 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.410 -5.313 0.818 1.00 0.00 C ATOM 0 H PHE A 39 -7.592 -8.325 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.397 -8.154 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.399 -6.310 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.232 -7.892 -2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.827 -4.478 -2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.750 -8.251 -0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.528 -3.488 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.451 -7.262 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.841 -4.878 1.626 1.00 0.00 H new ATOM 595 N LEU A 40 -7.166 -5.799 -4.114 1.00 0.00 N ATOM 596 CA LEU A 40 -6.628 -4.645 -4.828 1.00 0.00 C ATOM 597 C LEU A 40 -6.939 -4.735 -6.318 1.00 0.00 C ATOM 598 O LEU A 40 -7.520 -3.818 -6.898 1.00 0.00 O ATOM 599 CB LEU A 40 -5.117 -4.549 -4.615 1.00 0.00 C ATOM 600 CG LEU A 40 -4.659 -4.184 -3.203 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.143 -4.073 -3.144 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.309 -2.885 -2.750 1.00 0.00 C ATOM 0 H LEU A 40 -6.543 -6.184 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.102 -3.748 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.671 -5.507 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.719 -3.807 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.971 -4.978 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.836 -3.813 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.697 -5.027 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.808 -3.299 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.971 -2.641 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.029 -2.081 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.393 -3.001 -2.751 1.00 0.00 H new ATOM 614 N SER A 41 -6.550 -5.847 -6.933 1.00 0.00 N ATOM 615 CA SER A 41 -6.785 -6.056 -8.357 1.00 0.00 C ATOM 616 C SER A 41 -8.280 -6.082 -8.662 1.00 0.00 C ATOM 617 O SER A 41 -8.727 -5.543 -9.674 1.00 0.00 O ATOM 618 CB SER A 41 -6.137 -7.363 -8.816 1.00 0.00 C ATOM 619 OG SER A 41 -4.728 -7.233 -8.897 1.00 0.00 O ATOM 0 H SER A 41 -6.070 -6.617 -6.467 1.00 0.00 H new ATOM 0 HA SER A 41 -6.335 -5.225 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.392 -8.163 -8.121 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.536 -7.648 -9.790 1.00 0.00 H new ATOM 0 HG SER A 41 -4.337 -8.082 -9.191 1.00 0.00 H new ATOM 625 N ASP A 42 -9.046 -6.713 -7.779 1.00 0.00 N ATOM 626 CA ASP A 42 -10.492 -6.809 -7.952 1.00 0.00 C ATOM 627 C ASP A 42 -11.164 -5.471 -7.660 1.00 0.00 C ATOM 628 O ASP A 42 -10.659 -4.671 -6.873 1.00 0.00 O ATOM 629 CB ASP A 42 -11.065 -7.892 -7.037 1.00 0.00 C ATOM 630 CG ASP A 42 -12.465 -8.309 -7.441 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.592 -9.244 -8.259 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.434 -7.701 -6.940 1.00 0.00 O ATOM 0 H ASP A 42 -8.691 -7.166 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.692 -7.077 -8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.410 -8.763 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.080 -7.526 -6.010 1.00 0.00 H new ATOM 637 N GLU A 43 -12.304 -5.235 -8.301 1.00 0.00 N ATOM 638 CA GLU A 43 -13.044 -3.993 -8.111 1.00 0.00 C ATOM 639 C GLU A 43 -14.488 -4.277 -7.707 1.00 0.00 C ATOM 640 O GLU A 43 -15.110 -3.490 -6.995 1.00 0.00 O ATOM 641 CB GLU A 43 -13.016 -3.156 -9.391 1.00 0.00 C ATOM 642 CG GLU A 43 -11.745 -2.338 -9.556 1.00 0.00 C ATOM 643 CD GLU A 43 -11.961 -1.088 -10.386 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.759 -1.143 -11.346 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.331 -0.055 -10.078 1.00 0.00 O ATOM 0 H GLU A 43 -12.735 -5.887 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.564 -3.433 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.126 -3.818 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.874 -2.484 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.368 -2.056 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.979 -2.954 -10.026 1.00 0.00 H new ATOM 652 N ASN A 44 -15.015 -5.406 -8.169 1.00 0.00 N ATOM 653 CA ASN A 44 -16.386 -5.793 -7.857 1.00 0.00 C ATOM 654 C ASN A 44 -16.435 -6.653 -6.598 1.00 0.00 C ATOM 655 O ASN A 44 -17.065 -7.711 -6.581 1.00 0.00 O ATOM 656 CB ASN A 44 -17.003 -6.554 -9.033 1.00 0.00 C ATOM 657 CG ASN A 44 -18.516 -6.456 -9.055 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.081 -5.374 -8.894 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.180 -7.588 -9.256 1.00 0.00 N ATOM 0 H ASN A 44 -14.514 -6.069 -8.761 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.962 -4.885 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.603 -6.160 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.710 -7.602 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.200 -7.583 -9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.670 -8.462 -9.385 1.00 0.00 H new ATOM 666 N SER A 45 -15.766 -6.192 -5.546 1.00 0.00 N ATOM 667 CA SER A 45 -15.731 -6.921 -4.283 1.00 0.00 C ATOM 668 C SER A 45 -16.026 -5.990 -3.111 1.00 0.00 C ATOM 669 O SER A 45 -16.364 -4.821 -3.301 1.00 0.00 O ATOM 670 CB SER A 45 -14.367 -7.584 -4.092 1.00 0.00 C ATOM 671 OG SER A 45 -13.328 -6.622 -4.081 1.00 0.00 O ATOM 0 H SER A 45 -15.241 -5.317 -5.543 1.00 0.00 H new ATOM 0 HA SER A 45 -16.501 -7.692 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.359 -8.143 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.193 -8.302 -4.893 1.00 0.00 H new ATOM 0 HG SER A 45 -12.939 -6.550 -4.978 1.00 0.00 H new ATOM 677 N LEU A 46 -15.894 -6.516 -1.899 1.00 0.00 N ATOM 678 CA LEU A 46 -16.146 -5.733 -0.693 1.00 0.00 C ATOM 679 C LEU A 46 -14.844 -5.190 -0.116 1.00 0.00 C ATOM 680 O LEU A 46 -14.758 -4.018 0.250 1.00 0.00 O ATOM 681 CB LEU A 46 -16.864 -6.589 0.353 1.00 0.00 C ATOM 682 CG LEU A 46 -16.584 -6.236 1.814 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.268 -6.851 2.269 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.562 -4.727 2.004 1.00 0.00 C ATOM 0 H LEU A 46 -15.614 -7.481 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.782 -4.890 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.938 -6.513 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.588 -7.631 0.192 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.386 -6.648 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.085 -6.589 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.320 -7.935 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.455 -6.469 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.361 -4.495 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.781 -4.293 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.528 -4.310 1.719 1.00 0.00 H new ATOM 696 N GLU A 47 -13.832 -6.048 -0.038 1.00 0.00 N ATOM 697 CA GLU A 47 -12.533 -5.652 0.494 1.00 0.00 C ATOM 698 C GLU A 47 -11.955 -4.483 -0.299 1.00 0.00 C ATOM 699 O GLU A 47 -11.234 -3.647 0.247 1.00 0.00 O ATOM 700 CB GLU A 47 -11.562 -6.834 0.462 1.00 0.00 C ATOM 701 CG GLU A 47 -11.950 -7.967 1.397 1.00 0.00 C ATOM 702 CD GLU A 47 -10.803 -8.407 2.287 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.307 -7.572 3.072 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.402 -9.586 2.197 1.00 0.00 O ATOM 0 H GLU A 47 -13.886 -7.022 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.673 -5.335 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.504 -7.218 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.565 -6.481 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.787 -7.649 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.295 -8.817 0.808 1.00 0.00 H new ATOM 711 N TYR A 48 -12.276 -4.432 -1.586 1.00 0.00 N ATOM 712 CA TYR A 48 -11.787 -3.368 -2.454 1.00 0.00 C ATOM 713 C TYR A 48 -12.654 -2.119 -2.328 1.00 0.00 C ATOM 714 O TYR A 48 -12.217 -1.010 -2.633 1.00 0.00 O ATOM 715 CB TYR A 48 -11.760 -3.839 -3.909 1.00 0.00 C ATOM 716 CG TYR A 48 -11.315 -2.771 -4.883 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.211 -1.825 -5.364 1.00 0.00 C ATOM 718 CD2 TYR A 48 -9.998 -2.710 -5.324 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.809 -0.848 -6.254 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.588 -1.736 -6.214 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.496 -0.808 -6.676 1.00 0.00 C ATOM 722 OH TYR A 48 -10.091 0.163 -7.563 1.00 0.00 O ATOM 0 H TYR A 48 -12.873 -5.115 -2.052 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.773 -3.117 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.092 -4.696 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.756 -4.183 -4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.240 -1.854 -5.037 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.284 -3.436 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.519 -0.119 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.561 -1.702 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.553 0.038 -8.418 1.00 0.00 H new ATOM 732 N LYS A 49 -13.889 -2.308 -1.875 1.00 0.00 N ATOM 733 CA LYS A 49 -14.821 -1.200 -1.705 1.00 0.00 C ATOM 734 C LYS A 49 -14.367 -0.274 -0.581 1.00 0.00 C ATOM 735 O LYS A 49 -14.707 0.909 -0.564 1.00 0.00 O ATOM 736 CB LYS A 49 -16.226 -1.729 -1.408 1.00 0.00 C ATOM 737 CG LYS A 49 -17.197 -1.561 -2.563 1.00 0.00 C ATOM 738 CD LYS A 49 -18.163 -2.730 -2.656 1.00 0.00 C ATOM 739 CE LYS A 49 -18.411 -3.135 -4.100 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.702 -2.597 -4.613 1.00 0.00 N ATOM 0 H LYS A 49 -14.268 -3.220 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.843 -0.631 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.160 -2.786 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.622 -1.213 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.757 -0.635 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.641 -1.472 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.762 -3.579 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.108 -2.460 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.593 -2.774 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.414 -4.222 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.834 -2.895 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.485 -2.962 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.689 -1.558 -4.564 1.00 0.00 H new ATOM 754 N TYR A 50 -13.595 -0.819 0.352 1.00 0.00 N ATOM 755 CA TYR A 50 -13.094 -0.041 1.479 1.00 0.00 C ATOM 756 C TYR A 50 -11.841 0.736 1.091 1.00 0.00 C ATOM 757 O TYR A 50 -11.767 1.951 1.276 1.00 0.00 O ATOM 758 CB TYR A 50 -12.792 -0.960 2.665 1.00 0.00 C ATOM 759 CG TYR A 50 -14.022 -1.366 3.445 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.178 -1.776 2.794 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.027 -1.340 4.835 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.304 -2.149 3.502 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.148 -1.711 5.551 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.284 -2.114 4.880 1.00 0.00 C ATOM 765 OH TYR A 50 -17.403 -2.485 5.590 1.00 0.00 O ATOM 0 H TYR A 50 -13.302 -1.796 0.350 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.866 0.672 1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.291 -1.857 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.096 -0.456 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.197 -1.804 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.140 -1.024 5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.194 -2.466 2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.135 -1.686 6.631 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.223 -2.405 6.550 1.00 0.00 H new ATOM 775 N TYR A 51 -10.856 0.026 0.551 1.00 0.00 N ATOM 776 CA TYR A 51 -9.603 0.647 0.138 1.00 0.00 C ATOM 777 C TYR A 51 -9.865 1.898 -0.696 1.00 0.00 C ATOM 778 O TYR A 51 -9.087 2.852 -0.667 1.00 0.00 O ATOM 779 CB TYR A 51 -8.758 -0.346 -0.663 1.00 0.00 C ATOM 780 CG TYR A 51 -7.504 0.263 -1.251 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.428 0.604 -0.441 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.398 0.499 -2.616 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.281 1.161 -0.974 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.255 1.055 -3.157 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.200 1.384 -2.332 1.00 0.00 C ATOM 786 OH TYR A 51 -4.060 1.938 -2.868 1.00 0.00 O ATOM 0 H TYR A 51 -10.901 -0.980 0.389 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.057 0.938 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.479 -1.178 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.364 -0.759 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.489 0.431 0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.223 0.244 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.453 1.420 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.188 1.231 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.165 2.028 -3.838 1.00 0.00 H new ATOM 796 N LYS A 52 -10.966 1.885 -1.440 1.00 0.00 N ATOM 797 CA LYS A 52 -11.333 3.017 -2.282 1.00 0.00 C ATOM 798 C LYS A 52 -12.201 4.009 -1.512 1.00 0.00 C ATOM 799 O LYS A 52 -12.034 5.223 -1.636 1.00 0.00 O ATOM 800 CB LYS A 52 -12.079 2.532 -3.528 1.00 0.00 C ATOM 801 CG LYS A 52 -11.187 1.825 -4.533 1.00 0.00 C ATOM 802 CD LYS A 52 -10.213 2.789 -5.191 1.00 0.00 C ATOM 803 CE LYS A 52 -10.941 3.843 -6.010 1.00 0.00 C ATOM 804 NZ LYS A 52 -10.542 3.803 -7.444 1.00 0.00 N ATOM 0 H LYS A 52 -11.620 1.103 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.417 3.522 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.877 1.855 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.553 3.385 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.632 1.031 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.803 1.351 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.608 3.275 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.529 2.235 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.017 3.688 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.729 4.831 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.060 4.536 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.520 3.976 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.767 2.869 -7.841 1.00 0.00 H new ATOM 818 N LEU A 53 -13.125 3.484 -0.716 1.00 0.00 N ATOM 819 CA LEU A 53 -14.019 4.324 0.077 1.00 0.00 C ATOM 820 C LEU A 53 -13.295 4.892 1.293 1.00 0.00 C ATOM 821 O LEU A 53 -13.035 6.093 1.369 1.00 0.00 O ATOM 822 CB LEU A 53 -15.241 3.521 0.525 1.00 0.00 C ATOM 823 CG LEU A 53 -16.089 4.151 1.630 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.591 3.716 2.999 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.075 5.669 1.513 1.00 0.00 C ATOM 0 H LEU A 53 -13.276 2.482 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.347 5.155 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.878 3.352 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.903 2.543 0.867 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.117 3.807 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.207 4.174 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.654 2.631 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.555 4.030 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.684 6.101 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.051 6.031 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.480 5.963 0.545 1.00 0.00 H new ATOM 837 N LYS A 54 -12.969 4.021 2.241 1.00 0.00 N ATOM 838 CA LYS A 54 -12.270 4.433 3.453 1.00 0.00 C ATOM 839 C LYS A 54 -11.181 5.452 3.134 1.00 0.00 C ATOM 840 O LYS A 54 -10.897 6.344 3.933 1.00 0.00 O ATOM 841 CB LYS A 54 -11.659 3.219 4.153 1.00 0.00 C ATOM 842 CG LYS A 54 -11.526 3.386 5.657 1.00 0.00 C ATOM 843 CD LYS A 54 -12.802 2.987 6.378 1.00 0.00 C ATOM 844 CE LYS A 54 -12.709 3.263 7.871 1.00 0.00 C ATOM 845 NZ LYS A 54 -12.696 2.006 8.668 1.00 0.00 N ATOM 0 H LYS A 54 -13.178 3.024 2.194 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.996 4.900 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.274 2.343 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.674 3.024 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.697 2.778 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.285 4.424 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.645 3.535 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.997 1.927 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.804 3.834 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.553 3.880 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.137 2.149 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.670 1.747 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.272 1.242 8.104 1.00 0.00 H new ATOM 859 N LEU A 55 -10.574 5.313 1.960 1.00 0.00 N ATOM 860 CA LEU A 55 -9.516 6.221 1.534 1.00 0.00 C ATOM 861 C LEU A 55 -10.078 7.603 1.216 1.00 0.00 C ATOM 862 O LEU A 55 -9.490 8.622 1.575 1.00 0.00 O ATOM 863 CB LEU A 55 -8.795 5.658 0.307 1.00 0.00 C ATOM 864 CG LEU A 55 -7.571 6.438 -0.170 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.521 6.510 0.929 1.00 0.00 C ATOM 866 CD2 LEU A 55 -6.989 5.804 -1.425 1.00 0.00 C ATOM 0 H LEU A 55 -10.797 4.580 1.287 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.804 6.318 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.486 4.637 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.509 5.603 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.884 7.454 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.657 7.069 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.941 7.011 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.212 5.501 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.118 6.373 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.692 4.778 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.740 5.806 -2.215 1.00 0.00 H new ATOM 878 N ALA A 56 -11.224 7.628 0.541 1.00 0.00 N ATOM 879 CA ALA A 56 -11.869 8.884 0.180 1.00 0.00 C ATOM 880 C ALA A 56 -12.321 9.647 1.420 1.00 0.00 C ATOM 881 O ALA A 56 -11.957 10.806 1.614 1.00 0.00 O ATOM 882 CB ALA A 56 -13.051 8.623 -0.742 1.00 0.00 C ATOM 0 H ALA A 56 -11.723 6.793 0.234 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.140 9.500 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.524 9.569 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.703 8.128 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.774 7.984 -0.235 1.00 0.00 H new ATOM 888 N GLU A 57 -13.117 8.988 2.257 1.00 0.00 N ATOM 889 CA GLU A 57 -13.620 9.607 3.478 1.00 0.00 C ATOM 890 C GLU A 57 -12.469 10.000 4.402 1.00 0.00 C ATOM 891 O GLU A 57 -12.559 10.982 5.138 1.00 0.00 O ATOM 892 CB GLU A 57 -14.569 8.653 4.206 1.00 0.00 C ATOM 893 CG GLU A 57 -13.883 7.415 4.759 1.00 0.00 C ATOM 894 CD GLU A 57 -14.827 6.525 5.542 1.00 0.00 C ATOM 895 OE1 GLU A 57 -16.055 6.647 5.350 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.338 5.705 6.348 1.00 0.00 O ATOM 0 H GLU A 57 -13.427 8.027 2.112 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.165 10.509 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.050 9.188 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.358 8.345 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.452 6.845 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.058 7.719 5.403 1.00 0.00 H new ATOM 903 N MET A 58 -11.391 9.226 4.356 1.00 0.00 N ATOM 904 CA MET A 58 -10.223 9.494 5.188 1.00 0.00 C ATOM 905 C MET A 58 -9.387 10.628 4.603 1.00 0.00 C ATOM 906 O MET A 58 -8.740 11.375 5.336 1.00 0.00 O ATOM 907 CB MET A 58 -9.368 8.233 5.324 1.00 0.00 C ATOM 908 CG MET A 58 -9.950 7.203 6.278 1.00 0.00 C ATOM 909 SD MET A 58 -9.674 7.625 8.009 1.00 0.00 S ATOM 910 CE MET A 58 -7.940 7.216 8.184 1.00 0.00 C ATOM 0 H MET A 58 -11.301 8.409 3.752 1.00 0.00 H new ATOM 0 HA MET A 58 -10.573 9.796 6.175 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.248 7.778 4.341 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.373 8.514 5.669 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.021 7.110 6.097 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.506 6.229 6.070 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.817 6.488 8.986 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.570 6.793 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.376 8.118 8.423 1.00 0.00 H new ATOM 920 N GLN A 59 -9.406 10.749 3.278 1.00 0.00 N ATOM 921 CA GLN A 59 -8.649 11.792 2.597 1.00 0.00 C ATOM 922 C GLN A 59 -9.335 13.146 2.742 1.00 0.00 C ATOM 923 O GLN A 59 -8.683 14.159 2.994 1.00 0.00 O ATOM 924 CB GLN A 59 -8.484 11.447 1.116 1.00 0.00 C ATOM 925 CG GLN A 59 -7.206 10.684 0.808 1.00 0.00 C ATOM 926 CD GLN A 59 -6.569 11.115 -0.499 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.396 12.308 -0.754 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.217 10.146 -1.334 1.00 0.00 N ATOM 0 H GLN A 59 -9.937 10.138 2.657 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.665 11.853 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.339 10.853 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.497 12.368 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.495 10.832 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.425 9.617 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.379 9.171 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.784 10.376 -2.229 1.00 0.00 H new