USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 24 SER OG : rot 180:sc=-0.00148 USER MOD Set 1.2: A 27 THR OG1 : rot 104:sc= -0.0411 USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0408 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -39:sc= 0.501 USER MOD Single : A 12 TYR OH : rot 156:sc= -0.515 USER MOD Single : A 21 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -74:sc= -0.122 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.405 (180deg=-0.423) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.093 -8.888 -3.537 1.00 0.00 N ATOM 2 CA ALA A 1 3.332 -7.455 -3.878 1.00 0.00 C ATOM 3 C ALA A 1 2.811 -6.552 -2.756 1.00 0.00 C ATOM 4 O ALA A 1 1.866 -6.887 -2.067 1.00 0.00 O ATOM 5 CB ALA A 1 2.546 -7.219 -5.167 1.00 0.00 C ATOM 0 H1 ALA A 1 2.679 -9.376 -4.357 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.995 -9.340 -3.285 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.438 -8.949 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 1 4.391 -7.229 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.671 -6.184 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.917 -7.885 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.489 -7.420 -4.991 1.00 0.00 H new ATOM 13 N LYS A 2 3.425 -5.410 -2.571 1.00 0.00 N ATOM 14 CA LYS A 2 2.974 -4.477 -1.494 1.00 0.00 C ATOM 15 C LYS A 2 2.619 -3.111 -2.089 1.00 0.00 C ATOM 16 O LYS A 2 2.792 -2.877 -3.271 1.00 0.00 O ATOM 17 CB LYS A 2 4.171 -4.358 -0.550 1.00 0.00 C ATOM 18 CG LYS A 2 4.244 -5.599 0.344 1.00 0.00 C ATOM 19 CD LYS A 2 5.709 -5.977 0.577 1.00 0.00 C ATOM 20 CE LYS A 2 6.211 -6.818 -0.599 1.00 0.00 C ATOM 21 NZ LYS A 2 7.584 -7.245 -0.210 1.00 0.00 N ATOM 0 H LYS A 2 4.220 -5.084 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 2 2.083 -4.838 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.092 -4.256 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.077 -3.461 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.752 -5.403 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.714 -6.429 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.316 -5.078 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.808 -6.537 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.565 -7.678 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.225 -6.238 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.994 -7.827 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.179 -6.405 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.539 -7.801 0.668 1.00 0.00 H new ATOM 35 N TRP A 3 2.126 -2.210 -1.276 1.00 0.00 N ATOM 36 CA TRP A 3 1.758 -0.853 -1.785 1.00 0.00 C ATOM 37 C TRP A 3 2.189 0.209 -0.775 1.00 0.00 C ATOM 38 O TRP A 3 1.605 0.332 0.284 1.00 0.00 O ATOM 39 CB TRP A 3 0.235 -0.867 -1.913 1.00 0.00 C ATOM 40 CG TRP A 3 -0.158 -1.445 -3.230 1.00 0.00 C ATOM 41 CD1 TRP A 3 -0.048 -2.747 -3.586 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.728 -0.756 -4.368 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.512 -2.893 -4.882 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.943 -1.689 -5.407 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.073 0.583 -4.591 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.484 -1.302 -6.634 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.620 0.981 -5.822 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.823 0.039 -6.843 1.00 0.00 C ATOM 0 H TRP A 3 1.962 -2.356 -0.280 1.00 0.00 H new ATOM 0 HA TRP A 3 2.242 -0.624 -2.734 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.201 -1.453 -1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.156 0.146 -1.819 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.338 -3.540 -2.962 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.533 -3.779 -5.387 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.917 1.314 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.640 -2.031 -7.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.885 2.015 -5.984 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.241 0.350 -7.789 1.00 0.00 H new ATOM 59 N VAL A 4 3.208 0.966 -1.088 1.00 0.00 N ATOM 60 CA VAL A 4 3.678 2.010 -0.133 1.00 0.00 C ATOM 61 C VAL A 4 2.927 3.327 -0.339 1.00 0.00 C ATOM 62 O VAL A 4 2.535 3.677 -1.435 1.00 0.00 O ATOM 63 CB VAL A 4 5.179 2.178 -0.413 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.400 2.624 -1.864 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.769 3.226 0.548 1.00 0.00 C ATOM 0 H VAL A 4 3.733 0.906 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 4 3.493 1.719 0.901 1.00 0.00 H new ATOM 0 HB VAL A 4 5.678 1.221 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.468 2.740 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.993 1.874 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.897 3.576 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.834 3.344 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.264 4.181 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.627 2.896 1.577 1.00 0.00 H new ATOM 75 N LEU A 5 2.735 4.057 0.726 1.00 0.00 N ATOM 76 CA LEU A 5 2.026 5.362 0.642 1.00 0.00 C ATOM 77 C LEU A 5 3.066 6.491 0.699 1.00 0.00 C ATOM 78 O LEU A 5 3.581 6.821 1.748 1.00 0.00 O ATOM 79 CB LEU A 5 1.109 5.384 1.876 1.00 0.00 C ATOM 80 CG LEU A 5 -0.344 5.648 1.467 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.219 5.682 2.723 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.455 6.993 0.730 1.00 0.00 C ATOM 0 H LEU A 5 3.045 3.799 1.663 1.00 0.00 H new ATOM 0 HA LEU A 5 1.455 5.493 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.177 4.432 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.443 6.156 2.569 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.678 4.853 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.255 5.870 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.152 4.724 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.874 6.476 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.493 7.167 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.119 7.796 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.168 6.970 -0.164 1.00 0.00 H new ATOM 94 N LYS A 6 3.395 7.060 -0.435 1.00 0.00 N ATOM 95 CA LYS A 6 4.429 8.152 -0.485 1.00 0.00 C ATOM 96 C LYS A 6 4.198 9.228 0.588 1.00 0.00 C ATOM 97 O LYS A 6 5.122 9.914 0.986 1.00 0.00 O ATOM 98 CB LYS A 6 4.289 8.764 -1.878 1.00 0.00 C ATOM 99 CG LYS A 6 4.853 7.797 -2.920 1.00 0.00 C ATOM 100 CD LYS A 6 6.352 8.047 -3.091 1.00 0.00 C ATOM 101 CE LYS A 6 6.755 7.760 -4.539 1.00 0.00 C ATOM 102 NZ LYS A 6 8.093 8.396 -4.700 1.00 0.00 N ATOM 0 H LYS A 6 2.990 6.815 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 6 5.424 7.751 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.241 8.974 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.820 9.715 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.679 6.767 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.340 7.932 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.591 9.079 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.918 7.409 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.802 6.688 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.032 8.178 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.436 8.242 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.016 9.417 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.762 7.974 -4.025 1.00 0.00 H new ATOM 116 N ILE A 7 2.984 9.387 1.049 1.00 0.00 N ATOM 117 CA ILE A 7 2.709 10.430 2.087 1.00 0.00 C ATOM 118 C ILE A 7 3.473 10.118 3.380 1.00 0.00 C ATOM 119 O ILE A 7 4.136 10.974 3.935 1.00 0.00 O ATOM 120 CB ILE A 7 1.195 10.381 2.321 1.00 0.00 C ATOM 121 CG1 ILE A 7 0.466 10.720 1.018 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.798 11.402 3.393 1.00 0.00 C ATOM 123 CD1 ILE A 7 -1.035 10.489 1.197 1.00 0.00 C ATOM 0 H ILE A 7 2.173 8.843 0.754 1.00 0.00 H new ATOM 0 HA ILE A 7 3.034 11.420 1.766 1.00 0.00 H new ATOM 0 HB ILE A 7 0.920 9.380 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.655 11.758 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.845 10.101 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.279 11.361 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.313 11.170 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.078 12.403 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.553 10.731 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.215 9.445 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.408 11.127 1.998 1.00 0.00 H new ATOM 135 N THR A 8 3.374 8.906 3.871 1.00 0.00 N ATOM 136 CA THR A 8 4.086 8.551 5.141 1.00 0.00 C ATOM 137 C THR A 8 4.947 7.290 4.973 1.00 0.00 C ATOM 138 O THR A 8 5.961 7.139 5.630 1.00 0.00 O ATOM 139 CB THR A 8 2.974 8.314 6.167 1.00 0.00 C ATOM 140 OG1 THR A 8 3.554 7.964 7.416 1.00 0.00 O ATOM 141 CG2 THR A 8 2.055 7.184 5.697 1.00 0.00 C ATOM 0 H THR A 8 2.834 8.150 3.450 1.00 0.00 H new ATOM 0 HA THR A 8 4.771 9.341 5.448 1.00 0.00 H new ATOM 0 HB THR A 8 2.387 9.226 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.845 7.813 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.268 7.024 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.607 7.453 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.635 6.268 5.581 1.00 0.00 H new ATOM 149 N GLY A 9 4.557 6.384 4.110 1.00 0.00 N ATOM 150 CA GLY A 9 5.358 5.138 3.914 1.00 0.00 C ATOM 151 C GLY A 9 4.561 3.922 4.402 1.00 0.00 C ATOM 152 O GLY A 9 5.126 2.897 4.735 1.00 0.00 O ATOM 0 H GLY A 9 3.719 6.454 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.610 5.019 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.298 5.210 4.460 1.00 0.00 H new ATOM 156 N TYR A 10 3.255 4.024 4.438 1.00 0.00 N ATOM 157 CA TYR A 10 2.417 2.870 4.892 1.00 0.00 C ATOM 158 C TYR A 10 2.433 1.785 3.801 1.00 0.00 C ATOM 159 O TYR A 10 2.244 2.073 2.635 1.00 0.00 O ATOM 160 CB TYR A 10 1.013 3.481 5.104 1.00 0.00 C ATOM 161 CG TYR A 10 -0.065 2.418 5.075 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.314 1.631 6.205 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.808 2.225 3.908 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.310 0.649 6.164 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.802 1.246 3.866 1.00 0.00 C ATOM 166 CZ TYR A 10 -2.055 0.456 4.995 1.00 0.00 C ATOM 167 OH TYR A 10 -3.036 -0.514 4.957 1.00 0.00 O ATOM 0 H TYR A 10 2.732 4.858 4.172 1.00 0.00 H new ATOM 0 HA TYR A 10 2.769 2.389 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.983 4.005 6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.816 4.221 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.261 1.781 7.107 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.613 2.834 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.504 0.040 7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.376 1.098 2.963 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.733 -1.305 5.449 1.00 0.00 H new ATOM 177 N ILE A 11 2.674 0.549 4.171 1.00 0.00 N ATOM 178 CA ILE A 11 2.724 -0.544 3.147 1.00 0.00 C ATOM 179 C ILE A 11 1.573 -1.536 3.330 1.00 0.00 C ATOM 180 O ILE A 11 1.438 -2.155 4.370 1.00 0.00 O ATOM 181 CB ILE A 11 4.049 -1.282 3.379 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.231 -0.294 3.419 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.266 -2.299 2.255 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.332 0.472 2.096 1.00 0.00 C ATOM 0 H ILE A 11 2.837 0.251 5.133 1.00 0.00 H new ATOM 0 HA ILE A 11 2.642 -0.124 2.145 1.00 0.00 H new ATOM 0 HB ILE A 11 3.999 -1.794 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.100 0.407 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.159 -0.835 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.207 -2.825 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.445 -3.016 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.301 -1.780 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.172 1.166 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.486 -0.232 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.410 1.029 1.926 1.00 0.00 H new ATOM 196 N TYR A 12 0.776 -1.731 2.310 1.00 0.00 N ATOM 197 CA TYR A 12 -0.328 -2.728 2.403 1.00 0.00 C ATOM 198 C TYR A 12 0.217 -4.065 1.889 1.00 0.00 C ATOM 199 O TYR A 12 0.532 -4.204 0.721 1.00 0.00 O ATOM 200 CB TYR A 12 -1.458 -2.183 1.503 1.00 0.00 C ATOM 201 CG TYR A 12 -2.468 -3.273 1.169 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.477 -3.606 2.083 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.387 -3.950 -0.056 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.403 -4.612 1.768 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.315 -4.956 -0.368 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.321 -5.283 0.547 1.00 0.00 C ATOM 207 OH TYR A 12 -5.235 -6.270 0.246 1.00 0.00 O ATOM 0 H TYR A 12 0.844 -1.242 1.418 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.704 -2.882 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.962 -1.358 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.033 -1.783 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.542 -3.089 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.609 -3.697 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.181 -4.868 2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.252 -5.476 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.301 -6.369 -0.727 1.00 0.00 H new ATOM 217 N ASP A 13 0.337 -5.040 2.750 1.00 0.00 N ATOM 218 CA ASP A 13 0.870 -6.359 2.307 1.00 0.00 C ATOM 219 C ASP A 13 -0.238 -7.141 1.607 1.00 0.00 C ATOM 220 O ASP A 13 -0.951 -7.912 2.214 1.00 0.00 O ATOM 221 CB ASP A 13 1.316 -7.063 3.589 1.00 0.00 C ATOM 222 CG ASP A 13 1.997 -8.387 3.235 1.00 0.00 C ATOM 223 OD1 ASP A 13 3.196 -8.371 3.007 1.00 0.00 O ATOM 224 OD2 ASP A 13 1.309 -9.394 3.198 1.00 0.00 O ATOM 0 H ASP A 13 0.090 -4.980 3.738 1.00 0.00 H new ATOM 0 HA ASP A 13 1.696 -6.268 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.003 -6.426 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.457 -7.245 4.234 1.00 0.00 H new ATOM 229 N GLU A 14 -0.387 -6.926 0.323 1.00 0.00 N ATOM 230 CA GLU A 14 -1.454 -7.630 -0.454 1.00 0.00 C ATOM 231 C GLU A 14 -1.363 -9.150 -0.271 1.00 0.00 C ATOM 232 O GLU A 14 -2.333 -9.854 -0.467 1.00 0.00 O ATOM 233 CB GLU A 14 -1.206 -7.239 -1.916 1.00 0.00 C ATOM 234 CG GLU A 14 -2.358 -7.731 -2.786 1.00 0.00 C ATOM 235 CD GLU A 14 -1.813 -8.340 -4.081 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.084 -7.651 -4.776 1.00 0.00 O ATOM 237 OE2 GLU A 14 -2.134 -9.484 -4.355 1.00 0.00 O ATOM 0 H GLU A 14 0.190 -6.287 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.451 -7.347 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.111 -6.157 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.267 -7.670 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.943 -8.473 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.029 -6.904 -3.018 1.00 0.00 H new ATOM 244 N ASP A 15 -0.219 -9.658 0.120 1.00 0.00 N ATOM 245 CA ASP A 15 -0.095 -11.133 0.333 1.00 0.00 C ATOM 246 C ASP A 15 -1.005 -11.548 1.491 1.00 0.00 C ATOM 247 O ASP A 15 -1.538 -12.641 1.519 1.00 0.00 O ATOM 248 CB ASP A 15 1.375 -11.374 0.685 1.00 0.00 C ATOM 249 CG ASP A 15 1.750 -12.817 0.343 1.00 0.00 C ATOM 250 OD1 ASP A 15 1.588 -13.195 -0.805 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.193 -13.520 1.237 1.00 0.00 O ATOM 0 H ASP A 15 0.628 -9.119 0.300 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.388 -11.712 -0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.011 -10.681 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.542 -11.185 1.745 1.00 0.00 H new ATOM 256 N ALA A 16 -1.190 -10.666 2.440 1.00 0.00 N ATOM 257 CA ALA A 16 -2.071 -10.973 3.604 1.00 0.00 C ATOM 258 C ALA A 16 -3.323 -10.099 3.543 1.00 0.00 C ATOM 259 O ALA A 16 -4.401 -10.513 3.922 1.00 0.00 O ATOM 260 CB ALA A 16 -1.241 -10.613 4.837 1.00 0.00 C ATOM 0 H ALA A 16 -0.764 -9.739 2.457 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.394 -12.014 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.822 -10.811 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.332 -11.214 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.976 -9.556 4.802 1.00 0.00 H new ATOM 266 N GLY A 17 -3.178 -8.887 3.076 1.00 0.00 N ATOM 267 CA GLY A 17 -4.343 -7.965 2.990 1.00 0.00 C ATOM 268 C GLY A 17 -4.192 -6.855 4.028 1.00 0.00 C ATOM 269 O GLY A 17 -3.375 -5.966 3.883 1.00 0.00 O ATOM 0 H GLY A 17 -2.295 -8.496 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.408 -7.536 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.269 -8.514 3.162 1.00 0.00 H new ATOM 273 N ASP A 18 -4.973 -6.900 5.078 1.00 0.00 N ATOM 274 CA ASP A 18 -4.891 -5.844 6.134 1.00 0.00 C ATOM 275 C ASP A 18 -5.843 -6.184 7.290 1.00 0.00 C ATOM 276 O ASP A 18 -6.990 -5.786 7.275 1.00 0.00 O ATOM 277 CB ASP A 18 -5.338 -4.543 5.456 1.00 0.00 C ATOM 278 CG ASP A 18 -4.735 -3.348 6.196 1.00 0.00 C ATOM 279 OD1 ASP A 18 -5.234 -3.021 7.259 1.00 0.00 O ATOM 280 OD2 ASP A 18 -3.783 -2.780 5.685 1.00 0.00 O ATOM 0 H ASP A 18 -5.668 -7.627 5.250 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.885 -5.762 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.021 -4.536 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.426 -4.474 5.458 1.00 0.00 H new ATOM 285 N PRO A 19 -5.340 -6.903 8.266 1.00 0.00 N ATOM 286 CA PRO A 19 -6.179 -7.276 9.434 1.00 0.00 C ATOM 287 C PRO A 19 -6.583 -6.028 10.226 1.00 0.00 C ATOM 288 O PRO A 19 -7.542 -6.049 10.977 1.00 0.00 O ATOM 289 CB PRO A 19 -5.273 -8.202 10.248 1.00 0.00 C ATOM 290 CG PRO A 19 -3.886 -7.830 9.836 1.00 0.00 C ATOM 291 CD PRO A 19 -3.973 -7.427 8.388 1.00 0.00 C ATOM 0 HA PRO A 19 -7.116 -7.759 9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.420 -8.060 11.319 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.482 -9.250 10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.505 -7.011 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.203 -8.669 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.229 -6.672 8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.806 -8.275 7.724 1.00 0.00 H new ATOM 299 N ASP A 20 -5.878 -4.935 10.052 1.00 0.00 N ATOM 300 CA ASP A 20 -6.244 -3.681 10.777 1.00 0.00 C ATOM 301 C ASP A 20 -7.421 -3.010 10.065 1.00 0.00 C ATOM 302 O ASP A 20 -8.240 -2.353 10.680 1.00 0.00 O ATOM 303 CB ASP A 20 -4.996 -2.797 10.711 1.00 0.00 C ATOM 304 CG ASP A 20 -4.225 -2.900 12.029 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.579 -2.192 12.958 1.00 0.00 O ATOM 306 OD2 ASP A 20 -3.295 -3.687 12.089 1.00 0.00 O ATOM 0 H ASP A 20 -5.066 -4.859 9.439 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.546 -3.864 11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.361 -3.108 9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.281 -1.762 10.524 1.00 0.00 H new ATOM 311 N ASN A 21 -7.514 -3.185 8.769 1.00 0.00 N ATOM 312 CA ASN A 21 -8.639 -2.576 8.000 1.00 0.00 C ATOM 313 C ASN A 21 -9.764 -3.605 7.781 1.00 0.00 C ATOM 314 O ASN A 21 -10.718 -3.341 7.076 1.00 0.00 O ATOM 315 CB ASN A 21 -8.020 -2.158 6.660 1.00 0.00 C ATOM 316 CG ASN A 21 -7.236 -0.857 6.845 1.00 0.00 C ATOM 317 OD1 ASN A 21 -6.082 -0.771 6.474 1.00 0.00 O ATOM 318 ND2 ASN A 21 -7.817 0.166 7.410 1.00 0.00 N ATOM 0 H ASN A 21 -6.855 -3.727 8.210 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.087 -1.733 8.525 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.360 -2.943 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.802 -2.021 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.302 1.037 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.786 0.094 7.722 1.00 0.00 H new ATOM 325 N GLY A 22 -9.661 -4.779 8.376 1.00 0.00 N ATOM 326 CA GLY A 22 -10.724 -5.820 8.197 1.00 0.00 C ATOM 327 C GLY A 22 -10.911 -6.109 6.706 1.00 0.00 C ATOM 328 O GLY A 22 -11.913 -5.744 6.119 1.00 0.00 O ATOM 0 H GLY A 22 -8.885 -5.056 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.446 -6.733 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.662 -5.475 8.632 1.00 0.00 H new ATOM 332 N ILE A 23 -9.946 -6.743 6.088 1.00 0.00 N ATOM 333 CA ILE A 23 -10.053 -7.034 4.628 1.00 0.00 C ATOM 334 C ILE A 23 -9.841 -8.525 4.343 1.00 0.00 C ATOM 335 O ILE A 23 -9.385 -9.277 5.183 1.00 0.00 O ATOM 336 CB ILE A 23 -8.942 -6.191 3.987 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.199 -4.701 4.267 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.904 -6.428 2.473 1.00 0.00 C ATOM 339 CD1 ILE A 23 -10.549 -4.270 3.676 1.00 0.00 C ATOM 0 H ILE A 23 -9.089 -7.071 6.533 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.039 -6.793 4.232 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.984 -6.484 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.191 -4.520 5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.398 -4.100 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.112 -5.824 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.711 -7.482 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.862 -6.146 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.716 -3.213 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.543 -4.432 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.348 -4.858 4.127 1.00 0.00 H new ATOM 351 N SER A 24 -10.174 -8.940 3.149 1.00 0.00 N ATOM 352 CA SER A 24 -10.007 -10.374 2.762 1.00 0.00 C ATOM 353 C SER A 24 -8.516 -10.754 2.741 1.00 0.00 C ATOM 354 O SER A 24 -7.680 -9.927 2.432 1.00 0.00 O ATOM 355 CB SER A 24 -10.603 -10.467 1.354 1.00 0.00 C ATOM 356 OG SER A 24 -10.110 -11.632 0.704 1.00 0.00 O ATOM 0 H SER A 24 -10.558 -8.342 2.418 1.00 0.00 H new ATOM 0 HA SER A 24 -10.494 -11.052 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.691 -10.502 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.342 -9.579 0.778 1.00 0.00 H new ATOM 0 HG SER A 24 -10.493 -11.691 -0.196 1.00 0.00 H new ATOM 362 N PRO A 25 -8.224 -11.998 3.062 1.00 0.00 N ATOM 363 CA PRO A 25 -6.812 -12.461 3.061 1.00 0.00 C ATOM 364 C PRO A 25 -6.305 -12.594 1.622 1.00 0.00 C ATOM 365 O PRO A 25 -6.842 -13.356 0.839 1.00 0.00 O ATOM 366 CB PRO A 25 -6.879 -13.827 3.739 1.00 0.00 C ATOM 367 CG PRO A 25 -8.279 -14.301 3.517 1.00 0.00 C ATOM 368 CD PRO A 25 -9.151 -13.075 3.451 1.00 0.00 C ATOM 0 HA PRO A 25 -6.133 -11.775 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.155 -14.518 3.307 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.652 -13.751 4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.350 -14.876 2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.597 -14.958 4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.953 -13.194 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.622 -12.868 4.412 1.00 0.00 H new ATOM 376 N GLY A 26 -5.285 -11.853 1.263 1.00 0.00 N ATOM 377 CA GLY A 26 -4.757 -11.931 -0.130 1.00 0.00 C ATOM 378 C GLY A 26 -5.678 -11.124 -1.041 1.00 0.00 C ATOM 379 O GLY A 26 -6.427 -11.673 -1.828 1.00 0.00 O ATOM 0 H GLY A 26 -4.797 -11.199 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.741 -11.538 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.711 -12.969 -0.460 1.00 0.00 H new ATOM 383 N THR A 27 -5.641 -9.825 -0.921 1.00 0.00 N ATOM 384 CA THR A 27 -6.525 -8.961 -1.753 1.00 0.00 C ATOM 385 C THR A 27 -5.687 -7.967 -2.570 1.00 0.00 C ATOM 386 O THR A 27 -4.939 -7.181 -2.026 1.00 0.00 O ATOM 387 CB THR A 27 -7.410 -8.243 -0.717 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.350 -9.167 -0.189 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.163 -7.069 -1.355 1.00 0.00 C ATOM 0 H THR A 27 -5.031 -9.322 -0.277 1.00 0.00 H new ATOM 0 HA THR A 27 -7.114 -9.518 -2.482 1.00 0.00 H new ATOM 0 HB THR A 27 -6.771 -7.854 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.072 -9.438 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.780 -6.580 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.447 -6.353 -1.758 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.798 -7.439 -2.160 1.00 0.00 H new ATOM 397 N LYS A 28 -5.829 -7.991 -3.871 1.00 0.00 N ATOM 398 CA LYS A 28 -5.065 -7.043 -4.732 1.00 0.00 C ATOM 399 C LYS A 28 -5.435 -5.598 -4.375 1.00 0.00 C ATOM 400 O LYS A 28 -6.563 -5.181 -4.562 1.00 0.00 O ATOM 401 CB LYS A 28 -5.496 -7.366 -6.166 1.00 0.00 C ATOM 402 CG LYS A 28 -4.753 -8.612 -6.657 1.00 0.00 C ATOM 403 CD LYS A 28 -5.695 -9.474 -7.500 1.00 0.00 C ATOM 404 CE LYS A 28 -5.310 -10.948 -7.349 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.545 -11.547 -8.692 1.00 0.00 N ATOM 0 H LYS A 28 -6.444 -8.630 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.988 -7.142 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.572 -7.533 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.282 -6.521 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.885 -8.320 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.383 -9.185 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.726 -9.322 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.637 -9.177 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.268 -11.055 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.916 -11.438 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.303 -12.558 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.546 -11.436 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.950 -11.065 -9.396 1.00 0.00 H new ATOM 419 N PHE A 29 -4.501 -4.828 -3.858 1.00 0.00 N ATOM 420 CA PHE A 29 -4.810 -3.401 -3.488 1.00 0.00 C ATOM 421 C PHE A 29 -5.474 -2.668 -4.660 1.00 0.00 C ATOM 422 O PHE A 29 -6.272 -1.770 -4.468 1.00 0.00 O ATOM 423 CB PHE A 29 -3.449 -2.778 -3.171 1.00 0.00 C ATOM 424 CG PHE A 29 -3.620 -1.344 -2.726 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.746 -0.327 -3.680 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.637 -1.028 -1.362 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.888 1.005 -3.271 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.778 0.304 -0.953 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.903 1.320 -1.909 1.00 0.00 C ATOM 0 H PHE A 29 -3.542 -5.123 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.502 -3.336 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.952 -3.352 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.809 -2.819 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.734 -0.570 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.541 -1.812 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.986 1.789 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.790 0.548 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.011 2.347 -1.594 1.00 0.00 H new ATOM 439 N GLU A 30 -5.154 -3.056 -5.867 1.00 0.00 N ATOM 440 CA GLU A 30 -5.770 -2.396 -7.058 1.00 0.00 C ATOM 441 C GLU A 30 -7.208 -2.898 -7.279 1.00 0.00 C ATOM 442 O GLU A 30 -7.893 -2.438 -8.174 1.00 0.00 O ATOM 443 CB GLU A 30 -4.875 -2.782 -8.243 1.00 0.00 C ATOM 444 CG GLU A 30 -4.830 -4.311 -8.399 1.00 0.00 C ATOM 445 CD GLU A 30 -3.451 -4.837 -7.988 1.00 0.00 C ATOM 446 OE1 GLU A 30 -2.962 -4.413 -6.954 1.00 0.00 O ATOM 447 OE2 GLU A 30 -2.910 -5.653 -8.715 1.00 0.00 O ATOM 0 H GLU A 30 -4.492 -3.802 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.835 -1.315 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.254 -2.327 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.868 -2.395 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.603 -4.771 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.041 -4.586 -9.432 1.00 0.00 H new ATOM 454 N GLU A 31 -7.670 -3.833 -6.479 1.00 0.00 N ATOM 455 CA GLU A 31 -9.057 -4.354 -6.655 1.00 0.00 C ATOM 456 C GLU A 31 -9.903 -4.127 -5.390 1.00 0.00 C ATOM 457 O GLU A 31 -11.083 -4.422 -5.376 1.00 0.00 O ATOM 458 CB GLU A 31 -8.882 -5.849 -6.916 1.00 0.00 C ATOM 459 CG GLU A 31 -10.136 -6.399 -7.598 1.00 0.00 C ATOM 460 CD GLU A 31 -10.334 -7.862 -7.197 1.00 0.00 C ATOM 461 OE1 GLU A 31 -9.453 -8.657 -7.479 1.00 0.00 O ATOM 462 OE2 GLU A 31 -11.363 -8.162 -6.614 1.00 0.00 O ATOM 0 H GLU A 31 -7.143 -4.255 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.578 -3.846 -7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.009 -6.019 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.706 -6.374 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.007 -5.811 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.040 -6.317 -8.681 1.00 0.00 H new ATOM 469 N LEU A 32 -9.319 -3.605 -4.331 1.00 0.00 N ATOM 470 CA LEU A 32 -10.110 -3.366 -3.081 1.00 0.00 C ATOM 471 C LEU A 32 -11.288 -2.420 -3.380 1.00 0.00 C ATOM 472 O LEU A 32 -11.240 -1.673 -4.337 1.00 0.00 O ATOM 473 CB LEU A 32 -9.131 -2.719 -2.093 1.00 0.00 C ATOM 474 CG LEU A 32 -8.599 -3.771 -1.113 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.490 -3.154 -0.260 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.725 -4.265 -0.197 1.00 0.00 C ATOM 0 H LEU A 32 -8.336 -3.337 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.531 -4.287 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.302 -2.264 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.630 -1.920 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.207 -4.615 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.110 -3.900 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.680 -2.815 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.889 -2.306 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.332 -5.011 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.129 -3.425 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.516 -4.710 -0.800 1.00 0.00 H new ATOM 488 N PRO A 33 -12.318 -2.482 -2.563 1.00 0.00 N ATOM 489 CA PRO A 33 -13.500 -1.620 -2.780 1.00 0.00 C ATOM 490 C PRO A 33 -13.277 -0.242 -2.155 1.00 0.00 C ATOM 491 O PRO A 33 -12.303 -0.019 -1.461 1.00 0.00 O ATOM 492 CB PRO A 33 -14.619 -2.364 -2.059 1.00 0.00 C ATOM 493 CG PRO A 33 -13.943 -3.192 -1.006 1.00 0.00 C ATOM 494 CD PRO A 33 -12.486 -3.339 -1.380 1.00 0.00 C ATOM 0 HA PRO A 33 -13.717 -1.446 -3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.329 -1.667 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.181 -2.992 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.038 -2.716 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.416 -4.171 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.834 -3.023 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.237 -4.376 -1.603 1.00 0.00 H new ATOM 502 N ASP A 34 -14.177 0.680 -2.391 1.00 0.00 N ATOM 503 CA ASP A 34 -14.022 2.045 -1.803 1.00 0.00 C ATOM 504 C ASP A 34 -14.109 1.984 -0.275 1.00 0.00 C ATOM 505 O ASP A 34 -13.700 2.904 0.408 1.00 0.00 O ATOM 506 CB ASP A 34 -15.172 2.874 -2.379 1.00 0.00 C ATOM 507 CG ASP A 34 -15.038 4.326 -1.916 1.00 0.00 C ATOM 508 OD1 ASP A 34 -14.148 5.003 -2.405 1.00 0.00 O ATOM 509 OD2 ASP A 34 -15.826 4.736 -1.080 1.00 0.00 O ATOM 0 H ASP A 34 -15.010 0.547 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.053 2.482 -2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.159 2.826 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.128 2.464 -2.053 1.00 0.00 H new ATOM 514 N ASP A 35 -14.616 0.902 0.267 1.00 0.00 N ATOM 515 CA ASP A 35 -14.699 0.782 1.754 1.00 0.00 C ATOM 516 C ASP A 35 -13.290 0.823 2.364 1.00 0.00 C ATOM 517 O ASP A 35 -13.132 1.041 3.550 1.00 0.00 O ATOM 518 CB ASP A 35 -15.358 -0.575 2.017 1.00 0.00 C ATOM 519 CG ASP A 35 -16.877 -0.428 1.924 1.00 0.00 C ATOM 520 OD1 ASP A 35 -17.329 0.323 1.076 1.00 0.00 O ATOM 521 OD2 ASP A 35 -17.563 -1.069 2.704 1.00 0.00 O ATOM 0 H ASP A 35 -14.974 0.102 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.267 1.598 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.007 -1.309 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.077 -0.943 3.004 1.00 0.00 H new ATOM 526 N TRP A 36 -12.264 0.624 1.563 1.00 0.00 N ATOM 527 CA TRP A 36 -10.874 0.660 2.104 1.00 0.00 C ATOM 528 C TRP A 36 -10.294 2.067 1.949 1.00 0.00 C ATOM 529 O TRP A 36 -10.342 2.652 0.883 1.00 0.00 O ATOM 530 CB TRP A 36 -10.087 -0.340 1.255 1.00 0.00 C ATOM 531 CG TRP A 36 -8.752 -0.572 1.888 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.417 -1.659 2.621 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.574 0.283 1.865 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.110 -1.527 3.047 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.548 -0.347 2.607 1.00 0.00 C ATOM 536 CE3 TRP A 36 -7.296 1.531 1.278 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.295 0.237 2.764 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -6.032 2.124 1.433 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.034 1.477 2.175 1.00 0.00 C ATOM 0 H TRP A 36 -12.335 0.439 0.562 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.834 0.408 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.634 -1.279 1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.962 0.043 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.066 -2.494 2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.621 -2.217 3.617 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.059 2.036 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.529 -0.265 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.828 3.082 0.979 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.064 1.937 2.291 1.00 0.00 H new ATOM 550 N VAL A 37 -9.747 2.615 3.005 1.00 0.00 N ATOM 551 CA VAL A 37 -9.164 3.986 2.925 1.00 0.00 C ATOM 552 C VAL A 37 -8.322 4.272 4.175 1.00 0.00 C ATOM 553 O VAL A 37 -8.824 4.295 5.283 1.00 0.00 O ATOM 554 CB VAL A 37 -10.373 4.927 2.836 1.00 0.00 C ATOM 555 CG1 VAL A 37 -11.246 4.784 4.087 1.00 0.00 C ATOM 556 CG2 VAL A 37 -9.889 6.373 2.714 1.00 0.00 C ATOM 0 H VAL A 37 -9.680 2.170 3.920 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.500 4.112 2.070 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.963 4.663 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.101 5.456 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.599 3.756 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.660 5.038 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.749 7.040 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.292 6.632 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.281 6.479 1.816 1.00 0.00 H new ATOM 566 N ALA A 38 -7.043 4.483 3.996 1.00 0.00 N ATOM 567 CA ALA A 38 -6.148 4.763 5.164 1.00 0.00 C ATOM 568 C ALA A 38 -6.629 6.013 5.923 1.00 0.00 C ATOM 569 O ALA A 38 -7.583 6.645 5.513 1.00 0.00 O ATOM 570 CB ALA A 38 -4.763 4.998 4.552 1.00 0.00 C ATOM 0 H ALA A 38 -6.577 4.474 3.089 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.142 3.945 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.046 5.211 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.449 4.107 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.807 5.844 3.866 1.00 0.00 H new ATOM 576 N PRO A 39 -5.958 6.337 7.012 1.00 0.00 N ATOM 577 CA PRO A 39 -6.354 7.527 7.812 1.00 0.00 C ATOM 578 C PRO A 39 -6.051 8.816 7.036 1.00 0.00 C ATOM 579 O PRO A 39 -5.910 8.795 5.829 1.00 0.00 O ATOM 580 CB PRO A 39 -5.498 7.411 9.076 1.00 0.00 C ATOM 581 CG PRO A 39 -4.318 6.590 8.671 1.00 0.00 C ATOM 582 CD PRO A 39 -4.792 5.649 7.597 1.00 0.00 C ATOM 0 HA PRO A 39 -7.419 7.564 8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.191 8.393 9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.051 6.934 9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.513 7.225 8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.921 6.037 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.017 5.471 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.066 4.678 8.009 1.00 0.00 H new ATOM 590 N ILE A 40 -5.967 9.940 7.712 1.00 0.00 N ATOM 591 CA ILE A 40 -5.690 11.242 7.010 1.00 0.00 C ATOM 592 C ILE A 40 -4.491 11.118 6.051 1.00 0.00 C ATOM 593 O ILE A 40 -4.475 11.713 4.990 1.00 0.00 O ATOM 594 CB ILE A 40 -5.389 12.243 8.135 1.00 0.00 C ATOM 595 CG1 ILE A 40 -5.110 13.626 7.534 1.00 0.00 C ATOM 596 CG2 ILE A 40 -4.167 11.781 8.934 1.00 0.00 C ATOM 597 CD1 ILE A 40 -6.417 14.236 7.025 1.00 0.00 C ATOM 0 H ILE A 40 -6.078 10.014 8.723 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.533 11.556 6.395 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.252 12.300 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.661 14.276 8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.394 13.541 6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.961 12.497 9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.366 10.802 9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.303 11.715 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.218 15.219 6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.847 13.589 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.119 14.336 7.853 1.00 0.00 H new ATOM 609 N THR A 41 -3.496 10.352 6.419 1.00 0.00 N ATOM 610 CA THR A 41 -2.302 10.190 5.532 1.00 0.00 C ATOM 611 C THR A 41 -2.620 9.224 4.383 1.00 0.00 C ATOM 612 O THR A 41 -2.386 8.033 4.473 1.00 0.00 O ATOM 613 CB THR A 41 -1.195 9.626 6.436 1.00 0.00 C ATOM 614 OG1 THR A 41 -0.025 9.407 5.661 1.00 0.00 O ATOM 615 CG2 THR A 41 -1.640 8.302 7.069 1.00 0.00 C ATOM 0 H THR A 41 -3.458 9.831 7.295 1.00 0.00 H new ATOM 0 HA THR A 41 -2.000 11.132 5.074 1.00 0.00 H new ATOM 0 HB THR A 41 -0.989 10.343 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.150 8.616 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.843 7.917 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.535 8.468 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.858 7.578 6.284 1.00 0.00 H new ATOM 623 N GLY A 42 -3.154 9.735 3.302 1.00 0.00 N ATOM 624 CA GLY A 42 -3.495 8.858 2.142 1.00 0.00 C ATOM 625 C GLY A 42 -4.872 8.239 2.371 1.00 0.00 C ATOM 626 O GLY A 42 -5.386 8.257 3.473 1.00 0.00 O ATOM 0 H GLY A 42 -3.369 10.724 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.492 9.438 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.745 8.075 2.029 1.00 0.00 H new ATOM 630 N ALA A 43 -5.475 7.692 1.345 1.00 0.00 N ATOM 631 CA ALA A 43 -6.827 7.072 1.516 1.00 0.00 C ATOM 632 C ALA A 43 -7.225 6.262 0.266 1.00 0.00 C ATOM 633 O ALA A 43 -7.409 5.064 0.360 1.00 0.00 O ATOM 634 CB ALA A 43 -7.785 8.248 1.751 1.00 0.00 C ATOM 0 H ALA A 43 -5.093 7.647 0.400 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.849 6.367 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.799 7.870 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.480 8.793 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.758 8.917 0.891 1.00 0.00 H new ATOM 640 N PRO A 44 -7.356 6.922 -0.871 1.00 0.00 N ATOM 641 CA PRO A 44 -7.743 6.200 -2.111 1.00 0.00 C ATOM 642 C PRO A 44 -6.601 5.301 -2.597 1.00 0.00 C ATOM 643 O PRO A 44 -5.620 5.099 -1.907 1.00 0.00 O ATOM 644 CB PRO A 44 -8.028 7.320 -3.110 1.00 0.00 C ATOM 645 CG PRO A 44 -7.239 8.487 -2.616 1.00 0.00 C ATOM 646 CD PRO A 44 -7.164 8.361 -1.118 1.00 0.00 C ATOM 0 HA PRO A 44 -8.598 5.540 -1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.725 7.037 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.092 7.552 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.241 8.491 -3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.716 9.425 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.203 8.707 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.935 8.956 -0.628 1.00 0.00 H new ATOM 654 N LYS A 45 -6.734 4.750 -3.777 1.00 0.00 N ATOM 655 CA LYS A 45 -5.671 3.846 -4.320 1.00 0.00 C ATOM 656 C LYS A 45 -4.635 4.652 -5.095 1.00 0.00 C ATOM 657 O LYS A 45 -3.442 4.465 -4.950 1.00 0.00 O ATOM 658 CB LYS A 45 -6.401 2.885 -5.273 1.00 0.00 C ATOM 659 CG LYS A 45 -7.570 2.195 -4.554 1.00 0.00 C ATOM 660 CD LYS A 45 -7.043 1.426 -3.344 1.00 0.00 C ATOM 661 CE LYS A 45 -8.205 0.739 -2.623 1.00 0.00 C ATOM 662 NZ LYS A 45 -7.566 -0.073 -1.550 1.00 0.00 N ATOM 0 H LYS A 45 -7.536 4.887 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.146 3.318 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.772 3.434 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.704 2.135 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.303 2.936 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.080 1.515 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.311 0.684 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.531 2.106 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.898 1.470 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.777 0.111 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.303 -0.507 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.983 -0.819 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.966 0.540 -0.962 1.00 0.00 H new ATOM 676 N SER A 46 -5.095 5.542 -5.928 1.00 0.00 N ATOM 677 CA SER A 46 -4.161 6.380 -6.749 1.00 0.00 C ATOM 678 C SER A 46 -3.147 7.115 -5.861 1.00 0.00 C ATOM 679 O SER A 46 -2.095 7.519 -6.321 1.00 0.00 O ATOM 680 CB SER A 46 -5.059 7.383 -7.472 1.00 0.00 C ATOM 681 OG SER A 46 -5.755 6.721 -8.520 1.00 0.00 O ATOM 0 H SER A 46 -6.086 5.731 -6.081 1.00 0.00 H new ATOM 0 HA SER A 46 -3.579 5.770 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.768 7.825 -6.772 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.460 8.199 -7.876 1.00 0.00 H new ATOM 0 HG SER A 46 -6.333 7.362 -8.984 1.00 0.00 H new ATOM 687 N GLU A 47 -3.453 7.294 -4.599 1.00 0.00 N ATOM 688 CA GLU A 47 -2.505 8.007 -3.689 1.00 0.00 C ATOM 689 C GLU A 47 -1.428 7.055 -3.142 1.00 0.00 C ATOM 690 O GLU A 47 -0.646 7.432 -2.290 1.00 0.00 O ATOM 691 CB GLU A 47 -3.376 8.538 -2.553 1.00 0.00 C ATOM 692 CG GLU A 47 -2.649 9.682 -1.847 1.00 0.00 C ATOM 693 CD GLU A 47 -2.838 10.975 -2.642 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.974 11.388 -2.802 1.00 0.00 O ATOM 695 OE2 GLU A 47 -1.843 11.529 -3.079 1.00 0.00 O ATOM 0 H GLU A 47 -4.318 6.977 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.970 8.801 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.331 8.887 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.595 7.739 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.037 9.804 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.588 9.451 -1.755 1.00 0.00 H new ATOM 702 N PHE A 48 -1.372 5.833 -3.622 1.00 0.00 N ATOM 703 CA PHE A 48 -0.336 4.877 -3.124 1.00 0.00 C ATOM 704 C PHE A 48 0.707 4.617 -4.216 1.00 0.00 C ATOM 705 O PHE A 48 0.736 5.283 -5.234 1.00 0.00 O ATOM 706 CB PHE A 48 -1.089 3.583 -2.806 1.00 0.00 C ATOM 707 CG PHE A 48 -1.739 3.675 -1.453 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.677 4.675 -1.177 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.403 2.739 -0.476 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.279 4.737 0.085 1.00 0.00 C ATOM 711 CE2 PHE A 48 -2.000 2.799 0.781 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.939 3.798 1.066 1.00 0.00 C ATOM 0 H PHE A 48 -1.998 5.460 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 48 0.189 5.268 -2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.846 3.398 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.400 2.739 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.936 5.398 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.680 1.967 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.004 5.507 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.738 2.074 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.400 3.844 2.041 1.00 0.00 H new ATOM 722 N GLU A 49 1.553 3.638 -4.015 1.00 0.00 N ATOM 723 CA GLU A 49 2.587 3.303 -5.026 1.00 0.00 C ATOM 724 C GLU A 49 3.087 1.875 -4.793 1.00 0.00 C ATOM 725 O GLU A 49 3.576 1.548 -3.728 1.00 0.00 O ATOM 726 CB GLU A 49 3.708 4.322 -4.815 1.00 0.00 C ATOM 727 CG GLU A 49 4.588 4.378 -6.065 1.00 0.00 C ATOM 728 CD GLU A 49 5.500 3.151 -6.104 1.00 0.00 C ATOM 729 OE1 GLU A 49 6.376 3.063 -5.259 1.00 0.00 O ATOM 730 OE2 GLU A 49 5.306 2.321 -6.976 1.00 0.00 O ATOM 0 H GLU A 49 1.567 3.052 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 49 2.206 3.346 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.286 5.306 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.307 4.045 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.966 4.410 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.187 5.289 -6.060 1.00 0.00 H new ATOM 737 N LYS A 50 2.956 1.020 -5.777 1.00 0.00 N ATOM 738 CA LYS A 50 3.410 -0.403 -5.617 1.00 0.00 C ATOM 739 C LYS A 50 4.875 -0.462 -5.170 1.00 0.00 C ATOM 740 O LYS A 50 5.519 0.553 -4.990 1.00 0.00 O ATOM 741 CB LYS A 50 3.250 -1.044 -6.999 1.00 0.00 C ATOM 742 CG LYS A 50 1.797 -0.927 -7.464 1.00 0.00 C ATOM 743 CD LYS A 50 1.514 -1.995 -8.522 1.00 0.00 C ATOM 744 CE LYS A 50 1.049 -3.281 -7.837 1.00 0.00 C ATOM 745 NZ LYS A 50 1.208 -4.345 -8.868 1.00 0.00 N ATOM 0 H LYS A 50 2.554 1.243 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 50 2.828 -0.923 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.910 -0.554 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.545 -2.093 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.122 -1.050 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.614 0.066 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.750 -1.642 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.412 -2.187 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.648 -3.496 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.013 -3.201 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.909 -5.259 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.621 -4.117 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.206 -4.403 -9.156 1.00 0.00 H new ATOM 759 N LEU A 51 5.396 -1.649 -4.986 1.00 0.00 N ATOM 760 CA LEU A 51 6.818 -1.791 -4.544 1.00 0.00 C ATOM 761 C LEU A 51 7.748 -2.041 -5.739 1.00 0.00 C ATOM 762 O LEU A 51 8.955 -1.964 -5.612 1.00 0.00 O ATOM 763 CB LEU A 51 6.819 -3.000 -3.606 1.00 0.00 C ATOM 764 CG LEU A 51 8.210 -3.169 -2.986 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.071 -3.648 -1.539 1.00 0.00 C ATOM 766 CD2 LEU A 51 9.006 -4.202 -3.787 1.00 0.00 C ATOM 0 H LEU A 51 4.897 -2.528 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 51 7.181 -0.886 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.074 -2.865 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.543 -3.900 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 51 8.732 -2.212 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.061 -3.768 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.505 -2.914 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.548 -4.604 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.995 -4.321 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.483 -5.158 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.108 -3.863 -4.818 1.00 0.00 H new ATOM 778 N GLU A 52 7.205 -2.346 -6.898 1.00 0.00 N ATOM 779 CA GLU A 52 8.068 -2.608 -8.094 1.00 0.00 C ATOM 780 C GLU A 52 9.059 -1.456 -8.319 1.00 0.00 C ATOM 781 O GLU A 52 8.777 -0.314 -8.007 1.00 0.00 O ATOM 782 CB GLU A 52 7.102 -2.729 -9.280 1.00 0.00 C ATOM 783 CG GLU A 52 6.270 -1.448 -9.417 1.00 0.00 C ATOM 784 CD GLU A 52 5.886 -1.243 -10.884 1.00 0.00 C ATOM 785 OE1 GLU A 52 5.371 -2.176 -11.478 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.114 -0.155 -11.389 1.00 0.00 O ATOM 0 H GLU A 52 6.202 -2.424 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 52 8.666 -3.510 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.662 -2.908 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.443 -3.586 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.373 -1.517 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.839 -0.592 -9.056 1.00 0.00 H new ATOM 793 N ASP A 53 10.219 -1.753 -8.849 1.00 0.00 N ATOM 794 CA ASP A 53 11.236 -0.688 -9.089 1.00 0.00 C ATOM 795 C ASP A 53 10.676 0.385 -10.028 1.00 0.00 C ATOM 796 O ASP A 53 11.169 1.500 -9.984 1.00 0.00 O ATOM 797 CB ASP A 53 12.426 -1.398 -9.740 1.00 0.00 C ATOM 798 CG ASP A 53 13.135 -2.265 -8.698 1.00 0.00 C ATOM 799 OD1 ASP A 53 12.455 -3.014 -8.016 1.00 0.00 O ATOM 800 OD2 ASP A 53 14.348 -2.164 -8.599 1.00 0.00 O ATOM 801 OXT ASP A 53 9.764 0.073 -10.775 1.00 0.00 O ATOM 0 H ASP A 53 10.505 -2.692 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 53 11.520 -0.185 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.085 -2.015 -10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.120 -0.665 -10.152 1.00 0.00 H new TER 806 ASP A 53