USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.338 X(o=-0.34,f=0.033) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 15:sc= -0.243 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.835 (180deg=-3.23!) USER MOD Single : A 21 ASN : amide:sc= -1.61 K(o=-1.6,f=0.51) USER MOD Single : A 22 GLN : amide:sc= -2.73 K(o=-2.7,f=-0.82) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 67 GLN : amide:sc= 0.0601 K(o=0.06,f=-0.66) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 90:sc= 0.0821 USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 -0.482 7.348 -1.759 1.00 0.00 N ATOM 49 CA GLU A 4 -1.801 7.950 -1.657 1.00 0.00 C ATOM 50 C GLU A 4 -2.662 7.175 -0.657 1.00 0.00 C ATOM 51 O GLU A 4 -3.467 7.765 0.062 1.00 0.00 O ATOM 52 CB GLU A 4 -2.479 8.019 -3.026 1.00 0.00 C ATOM 53 CG GLU A 4 -2.938 9.445 -3.339 1.00 0.00 C ATOM 54 CD GLU A 4 -4.438 9.608 -3.080 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.215 9.166 -3.953 1.00 0.00 O ATOM 56 OE2 GLU A 4 -4.772 10.170 -2.015 1.00 0.00 O ATOM 0 HA GLU A 4 -1.686 8.971 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.787 7.679 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.335 7.345 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.380 10.153 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.717 9.682 -4.380 1.00 0.00 H new ATOM 63 N GLU A 5 -2.464 5.865 -0.645 1.00 0.00 N ATOM 64 CA GLU A 5 -3.213 5.003 0.255 1.00 0.00 C ATOM 65 C GLU A 5 -2.875 5.334 1.710 1.00 0.00 C ATOM 66 O GLU A 5 -3.739 5.264 2.583 1.00 0.00 O ATOM 67 CB GLU A 5 -2.944 3.528 -0.049 1.00 0.00 C ATOM 68 CG GLU A 5 -4.152 2.879 -0.726 1.00 0.00 C ATOM 69 CD GLU A 5 -4.397 1.471 -0.178 1.00 0.00 C ATOM 70 OE1 GLU A 5 -3.563 0.591 -0.482 1.00 0.00 O ATOM 71 OE2 GLU A 5 -5.412 1.307 0.532 1.00 0.00 O ATOM 0 H GLU A 5 -1.796 5.379 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.277 5.184 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.070 3.439 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.713 2.999 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.037 3.495 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.988 2.831 -1.802 1.00 0.00 H new ATOM 78 N LEU A 6 -1.617 5.688 1.926 1.00 0.00 N ATOM 79 CA LEU A 6 -1.154 6.029 3.261 1.00 0.00 C ATOM 80 C LEU A 6 -2.035 7.142 3.832 1.00 0.00 C ATOM 81 O LEU A 6 -2.433 7.090 4.995 1.00 0.00 O ATOM 82 CB LEU A 6 0.336 6.375 3.240 1.00 0.00 C ATOM 83 CG LEU A 6 1.272 5.275 2.734 1.00 0.00 C ATOM 84 CD1 LEU A 6 2.681 5.822 2.495 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.275 4.078 3.686 1.00 0.00 C ATOM 0 H LEU A 6 -0.904 5.746 1.199 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.249 5.172 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.475 7.258 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.640 6.647 4.251 1.00 0.00 H new ATOM 0 HG LEU A 6 0.897 4.921 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.326 5.020 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.641 6.617 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.080 6.219 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.948 3.311 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.613 4.398 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.267 3.671 3.762 1.00 0.00 H new ATOM 97 N LYS A 7 -2.315 8.124 2.987 1.00 0.00 N ATOM 98 CA LYS A 7 -3.141 9.248 3.393 1.00 0.00 C ATOM 99 C LYS A 7 -4.566 8.757 3.661 1.00 0.00 C ATOM 100 O LYS A 7 -5.115 8.994 4.736 1.00 0.00 O ATOM 101 CB LYS A 7 -3.063 10.372 2.358 1.00 0.00 C ATOM 102 CG LYS A 7 -3.167 11.743 3.029 1.00 0.00 C ATOM 103 CD LYS A 7 -3.164 12.865 1.988 1.00 0.00 C ATOM 104 CE LYS A 7 -2.942 14.226 2.649 1.00 0.00 C ATOM 105 NZ LYS A 7 -3.795 15.256 2.015 1.00 0.00 N ATOM 0 H LYS A 7 -1.984 8.164 2.023 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.770 9.677 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.124 10.302 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.866 10.257 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.081 11.794 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.333 11.879 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.380 12.682 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.112 12.869 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.170 14.161 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.893 14.511 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.632 16.174 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.559 15.329 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.795 14.990 2.118 1.00 0.00 H new ATOM 119 N GLY A 8 -5.122 8.083 2.666 1.00 0.00 N ATOM 120 CA GLY A 8 -6.472 7.557 2.781 1.00 0.00 C ATOM 121 C GLY A 8 -6.627 6.718 4.052 1.00 0.00 C ATOM 122 O GLY A 8 -7.451 7.031 4.909 1.00 0.00 O ATOM 0 H GLY A 8 -4.663 7.889 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.187 8.380 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.704 6.947 1.908 1.00 0.00 H new ATOM 126 N ILE A 9 -5.821 5.670 4.132 1.00 0.00 N ATOM 127 CA ILE A 9 -5.858 4.784 5.283 1.00 0.00 C ATOM 128 C ILE A 9 -5.682 5.607 6.561 1.00 0.00 C ATOM 129 O ILE A 9 -6.448 5.456 7.511 1.00 0.00 O ATOM 130 CB ILE A 9 -4.831 3.661 5.128 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.383 2.528 4.259 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.359 3.157 6.494 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.416 1.343 4.224 1.00 0.00 C ATOM 0 H ILE A 9 -5.138 5.414 3.419 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.827 4.290 5.353 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.959 4.065 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.348 2.203 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.554 2.892 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.630 2.359 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.899 3.977 7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.212 2.775 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.832 0.552 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.460 1.666 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.266 0.966 5.236 1.00 0.00 H new ATOM 145 N PHE A 10 -4.668 6.459 6.542 1.00 0.00 N ATOM 146 CA PHE A 10 -4.381 7.307 7.687 1.00 0.00 C ATOM 147 C PHE A 10 -5.635 8.055 8.143 1.00 0.00 C ATOM 148 O PHE A 10 -6.025 7.968 9.306 1.00 0.00 O ATOM 149 CB PHE A 10 -3.330 8.324 7.238 1.00 0.00 C ATOM 150 CG PHE A 10 -3.305 9.604 8.076 1.00 0.00 C ATOM 151 CD1 PHE A 10 -4.132 10.637 7.763 1.00 0.00 C ATOM 152 CD2 PHE A 10 -2.456 9.708 9.134 1.00 0.00 C ATOM 153 CE1 PHE A 10 -4.109 11.825 8.541 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.434 10.896 9.911 1.00 0.00 C ATOM 155 CZ PHE A 10 -3.260 11.929 9.599 1.00 0.00 C ATOM 0 H PHE A 10 -4.035 6.581 5.752 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.029 6.700 8.521 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.346 7.856 7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.516 8.587 6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.806 10.554 6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.799 8.887 9.383 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.765 12.646 8.293 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.760 10.979 10.751 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.243 12.832 10.191 1.00 0.00 H new ATOM 165 N GLU A 11 -6.232 8.773 7.203 1.00 0.00 N ATOM 166 CA GLU A 11 -7.434 9.536 7.494 1.00 0.00 C ATOM 167 C GLU A 11 -8.563 8.601 7.933 1.00 0.00 C ATOM 168 O GLU A 11 -9.321 8.923 8.846 1.00 0.00 O ATOM 169 CB GLU A 11 -7.856 10.376 6.287 1.00 0.00 C ATOM 170 CG GLU A 11 -7.767 11.871 6.601 1.00 0.00 C ATOM 171 CD GLU A 11 -8.971 12.623 6.030 1.00 0.00 C ATOM 172 OE1 GLU A 11 -10.094 12.098 6.186 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.739 13.706 5.451 1.00 0.00 O ATOM 0 H GLU A 11 -5.906 8.842 6.239 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.216 10.221 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.218 10.141 5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.876 10.121 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.720 12.018 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.847 12.280 6.184 1.00 0.00 H new ATOM 180 N LYS A 12 -8.639 7.461 7.261 1.00 0.00 N ATOM 181 CA LYS A 12 -9.662 6.477 7.570 1.00 0.00 C ATOM 182 C LYS A 12 -9.547 6.072 9.041 1.00 0.00 C ATOM 183 O LYS A 12 -10.532 5.667 9.656 1.00 0.00 O ATOM 184 CB LYS A 12 -9.582 5.297 6.600 1.00 0.00 C ATOM 185 CG LYS A 12 -10.961 4.673 6.379 1.00 0.00 C ATOM 186 CD LYS A 12 -10.920 3.160 6.599 1.00 0.00 C ATOM 187 CE LYS A 12 -11.582 2.419 5.436 1.00 0.00 C ATOM 188 NZ LYS A 12 -11.196 0.990 5.445 1.00 0.00 N ATOM 0 H LYS A 12 -8.009 7.197 6.504 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.655 6.905 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.174 5.633 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.898 4.545 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.682 5.124 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.303 4.888 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.886 2.832 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.428 2.910 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.666 2.510 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.287 2.876 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.654 0.502 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.163 0.909 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.499 0.554 6.339 1.00 0.00 H new ATOM 202 N TYR A 13 -8.335 6.197 9.563 1.00 0.00 N ATOM 203 CA TYR A 13 -8.079 5.849 10.950 1.00 0.00 C ATOM 204 C TYR A 13 -8.157 7.085 11.849 1.00 0.00 C ATOM 205 O TYR A 13 -8.681 7.017 12.960 1.00 0.00 O ATOM 206 CB TYR A 13 -6.653 5.295 10.989 1.00 0.00 C ATOM 207 CG TYR A 13 -6.572 3.774 10.840 1.00 0.00 C ATOM 208 CD1 TYR A 13 -6.858 3.184 9.626 1.00 0.00 C ATOM 209 CD2 TYR A 13 -6.213 2.993 11.919 1.00 0.00 C ATOM 210 CE1 TYR A 13 -6.782 1.753 9.485 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.138 1.562 11.779 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.426 1.013 10.569 1.00 0.00 C ATOM 213 OH TYR A 13 -6.354 -0.339 10.436 1.00 0.00 O ATOM 0 H TYR A 13 -7.520 6.534 9.050 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.817 5.131 11.308 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.072 5.759 10.192 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.188 5.583 11.932 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.139 3.796 8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.988 3.455 12.869 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.003 1.278 8.540 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.859 0.939 12.616 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.348 -0.574 9.485 1.00 0.00 H new ATOM 223 N ALA A 14 -7.629 8.186 11.335 1.00 0.00 N ATOM 224 CA ALA A 14 -7.633 9.435 12.077 1.00 0.00 C ATOM 225 C ALA A 14 -9.074 9.920 12.244 1.00 0.00 C ATOM 226 O ALA A 14 -9.378 10.667 13.172 1.00 0.00 O ATOM 227 CB ALA A 14 -6.753 10.459 11.357 1.00 0.00 C ATOM 0 H ALA A 14 -7.195 8.239 10.413 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.217 9.290 13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.756 11.396 11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.733 10.080 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.142 10.632 10.354 1.00 0.00 H new ATOM 233 N ALA A 15 -9.924 9.475 11.329 1.00 0.00 N ATOM 234 CA ALA A 15 -11.326 9.854 11.364 1.00 0.00 C ATOM 235 C ALA A 15 -12.074 8.939 12.335 1.00 0.00 C ATOM 236 O ALA A 15 -13.150 9.287 12.818 1.00 0.00 O ATOM 237 CB ALA A 15 -11.905 9.799 9.948 1.00 0.00 C ATOM 0 H ALA A 15 -9.668 8.856 10.560 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.438 10.877 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.957 10.083 9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.358 10.488 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.812 8.786 9.556 1.00 0.00 H new ATOM 243 N LYS A 16 -11.473 7.786 12.594 1.00 0.00 N ATOM 244 CA LYS A 16 -12.069 6.819 13.499 1.00 0.00 C ATOM 245 C LYS A 16 -12.362 7.494 14.840 1.00 0.00 C ATOM 246 O LYS A 16 -13.521 7.644 15.223 1.00 0.00 O ATOM 247 CB LYS A 16 -11.181 5.578 13.617 1.00 0.00 C ATOM 248 CG LYS A 16 -11.986 4.302 13.361 1.00 0.00 C ATOM 249 CD LYS A 16 -11.206 3.063 13.808 1.00 0.00 C ATOM 250 CE LYS A 16 -12.155 1.963 14.287 1.00 0.00 C ATOM 251 NZ LYS A 16 -11.390 0.772 14.721 1.00 0.00 N ATOM 0 H LYS A 16 -10.580 7.501 12.193 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.022 6.466 13.105 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.360 5.644 12.903 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.736 5.538 14.611 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.934 4.352 13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.223 4.224 12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.601 2.692 12.981 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.519 3.331 14.611 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.763 2.333 15.113 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.840 1.690 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.880 -0.089 14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.438 0.800 14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.314 0.767 15.758 1.00 0.00 H new ATOM 265 N GLU A 17 -11.292 7.884 15.517 1.00 0.00 N ATOM 266 CA GLU A 17 -11.420 8.540 16.807 1.00 0.00 C ATOM 267 C GLU A 17 -10.884 9.972 16.729 1.00 0.00 C ATOM 268 O GLU A 17 -9.773 10.197 16.253 1.00 0.00 O ATOM 269 CB GLU A 17 -10.703 7.745 17.900 1.00 0.00 C ATOM 270 CG GLU A 17 -11.540 6.543 18.341 1.00 0.00 C ATOM 271 CD GLU A 17 -11.643 6.476 19.866 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.608 6.160 20.491 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.755 6.743 20.372 1.00 0.00 O ATOM 0 H GLU A 17 -10.332 7.758 15.196 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.477 8.582 17.069 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.736 7.404 17.531 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.508 8.391 18.756 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.538 6.612 17.908 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.091 5.625 17.963 1.00 0.00 H new ATOM 280 N GLY A 18 -11.699 10.901 17.206 1.00 0.00 N ATOM 281 CA GLY A 18 -11.321 12.304 17.197 1.00 0.00 C ATOM 282 C GLY A 18 -11.174 12.823 15.765 1.00 0.00 C ATOM 283 O GLY A 18 -11.379 12.079 14.807 1.00 0.00 O ATOM 0 H GLY A 18 -12.620 10.710 17.601 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.073 12.890 17.725 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.381 12.435 17.733 1.00 0.00 H new ATOM 287 N ASP A 19 -10.820 14.096 15.665 1.00 0.00 N ATOM 288 CA ASP A 19 -10.643 14.723 14.366 1.00 0.00 C ATOM 289 C ASP A 19 -9.580 13.958 13.575 1.00 0.00 C ATOM 290 O ASP A 19 -8.546 13.581 14.123 1.00 0.00 O ATOM 291 CB ASP A 19 -10.172 16.171 14.513 1.00 0.00 C ATOM 292 CG ASP A 19 -10.657 17.124 13.419 1.00 0.00 C ATOM 293 OD1 ASP A 19 -10.103 17.034 12.302 1.00 0.00 O ATOM 294 OD2 ASP A 19 -11.570 17.920 13.724 1.00 0.00 O ATOM 0 H ASP A 19 -10.651 14.710 16.462 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.603 14.707 13.850 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.507 16.550 15.478 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.082 16.183 14.527 1.00 0.00 H new ATOM 299 N PRO A 20 -9.880 13.746 12.266 1.00 0.00 N ATOM 300 CA PRO A 20 -8.962 13.032 11.394 1.00 0.00 C ATOM 301 C PRO A 20 -7.770 13.913 11.014 1.00 0.00 C ATOM 302 O PRO A 20 -6.869 13.471 10.304 1.00 0.00 O ATOM 303 CB PRO A 20 -9.800 12.617 10.196 1.00 0.00 C ATOM 304 CG PRO A 20 -11.032 13.508 10.220 1.00 0.00 C ATOM 305 CD PRO A 20 -11.096 14.177 11.583 1.00 0.00 C ATOM 0 HA PRO A 20 -8.518 12.160 11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.244 12.745 9.267 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.078 11.565 10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.977 14.256 9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.932 12.920 10.041 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.134 15.262 11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.987 13.873 12.132 1.00 0.00 H new ATOM 313 N ASN A 21 -7.804 15.143 11.505 1.00 0.00 N ATOM 314 CA ASN A 21 -6.738 16.090 11.226 1.00 0.00 C ATOM 315 C ASN A 21 -5.654 15.962 12.298 1.00 0.00 C ATOM 316 O ASN A 21 -4.656 16.680 12.266 1.00 0.00 O ATOM 317 CB ASN A 21 -7.258 17.528 11.249 1.00 0.00 C ATOM 318 CG ASN A 21 -8.179 17.798 10.057 1.00 0.00 C ATOM 319 OD1 ASN A 21 -9.389 17.885 10.182 1.00 0.00 O ATOM 320 ND2 ASN A 21 -7.540 17.924 8.898 1.00 0.00 N ATOM 0 H ASN A 21 -8.553 15.506 12.094 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.340 15.867 10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.798 17.708 12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.418 18.222 11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.066 18.105 8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.524 17.840 8.864 1.00 0.00 H new ATOM 327 N GLN A 22 -5.888 15.042 13.223 1.00 0.00 N ATOM 328 CA GLN A 22 -4.944 14.810 14.303 1.00 0.00 C ATOM 329 C GLN A 22 -5.003 13.350 14.756 1.00 0.00 C ATOM 330 O GLN A 22 -6.080 12.825 15.033 1.00 0.00 O ATOM 331 CB GLN A 22 -5.208 15.758 15.475 1.00 0.00 C ATOM 332 CG GLN A 22 -6.708 15.877 15.757 1.00 0.00 C ATOM 333 CD GLN A 22 -7.150 17.341 15.761 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.550 17.893 16.773 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.057 17.938 14.576 1.00 0.00 N ATOM 0 H GLN A 22 -6.717 14.449 13.247 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.940 15.014 13.931 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.695 15.394 16.365 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.797 16.742 15.251 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.269 15.326 15.002 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.938 15.421 16.720 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.714 17.418 13.768 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.329 18.916 14.475 1.00 0.00 H new ATOM 344 N LEU A 23 -3.831 12.735 14.816 1.00 0.00 N ATOM 345 CA LEU A 23 -3.735 11.345 15.230 1.00 0.00 C ATOM 346 C LEU A 23 -3.645 11.277 16.756 1.00 0.00 C ATOM 347 O LEU A 23 -3.317 12.268 17.407 1.00 0.00 O ATOM 348 CB LEU A 23 -2.575 10.652 14.514 1.00 0.00 C ATOM 349 CG LEU A 23 -2.870 10.133 13.105 1.00 0.00 C ATOM 350 CD1 LEU A 23 -3.510 8.745 13.154 1.00 0.00 C ATOM 351 CD2 LEU A 23 -3.726 11.131 12.322 1.00 0.00 C ATOM 0 H LEU A 23 -2.940 13.174 14.585 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.631 10.798 14.939 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.741 11.351 14.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.245 9.813 15.127 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.924 10.032 12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.709 8.400 12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.832 8.049 13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.446 8.795 13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.921 10.738 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.671 11.286 12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.196 12.080 12.241 1.00 0.00 H new ATOM 363 N SER A 24 -3.941 10.098 17.283 1.00 0.00 N ATOM 364 CA SER A 24 -3.897 9.888 18.720 1.00 0.00 C ATOM 365 C SER A 24 -3.234 8.545 19.032 1.00 0.00 C ATOM 366 O SER A 24 -3.059 7.713 18.143 1.00 0.00 O ATOM 367 CB SER A 24 -5.301 9.941 19.327 1.00 0.00 C ATOM 368 OG SER A 24 -5.982 11.147 18.992 1.00 0.00 O ATOM 0 H SER A 24 -4.212 9.278 16.740 1.00 0.00 H new ATOM 0 HA SER A 24 -3.307 10.689 19.165 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.881 9.088 18.975 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.231 9.853 20.411 1.00 0.00 H new ATOM 0 HG SER A 24 -6.875 11.142 19.397 1.00 0.00 H new ATOM 374 N LYS A 25 -2.882 8.375 20.298 1.00 0.00 N ATOM 375 CA LYS A 25 -2.242 7.148 20.739 1.00 0.00 C ATOM 376 C LYS A 25 -3.128 5.956 20.373 1.00 0.00 C ATOM 377 O LYS A 25 -2.704 5.064 19.640 1.00 0.00 O ATOM 378 CB LYS A 25 -1.901 7.226 22.228 1.00 0.00 C ATOM 379 CG LYS A 25 -1.050 6.030 22.660 1.00 0.00 C ATOM 380 CD LYS A 25 -1.309 5.674 24.125 1.00 0.00 C ATOM 381 CE LYS A 25 -0.032 5.813 24.957 1.00 0.00 C ATOM 382 NZ LYS A 25 -0.284 5.422 26.362 1.00 0.00 N ATOM 0 H LYS A 25 -3.028 9.067 21.033 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.291 7.009 20.225 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.364 8.152 22.434 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.820 7.254 22.814 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.276 5.171 22.028 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.006 6.261 22.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.084 6.325 24.530 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.683 4.653 24.194 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.754 5.187 24.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.324 6.842 24.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.592 5.522 26.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.019 6.036 26.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.603 4.433 26.395 1.00 0.00 H new ATOM 396 N GLU A 26 -4.344 5.979 20.900 1.00 0.00 N ATOM 397 CA GLU A 26 -5.293 4.911 20.638 1.00 0.00 C ATOM 398 C GLU A 26 -5.518 4.757 19.133 1.00 0.00 C ATOM 399 O GLU A 26 -5.560 3.641 18.618 1.00 0.00 O ATOM 400 CB GLU A 26 -6.615 5.161 21.367 1.00 0.00 C ATOM 401 CG GLU A 26 -6.929 4.023 22.340 1.00 0.00 C ATOM 402 CD GLU A 26 -8.375 3.549 22.181 1.00 0.00 C ATOM 403 OE1 GLU A 26 -8.588 2.655 21.333 1.00 0.00 O ATOM 404 OE2 GLU A 26 -9.234 4.090 22.910 1.00 0.00 O ATOM 0 H GLU A 26 -4.693 6.721 21.507 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.875 3.979 21.020 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.562 6.104 21.910 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.422 5.256 20.641 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.248 3.190 22.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.763 4.359 23.364 1.00 0.00 H new ATOM 411 N GLU A 27 -5.656 5.895 18.469 1.00 0.00 N ATOM 412 CA GLU A 27 -5.875 5.902 17.032 1.00 0.00 C ATOM 413 C GLU A 27 -4.703 5.229 16.314 1.00 0.00 C ATOM 414 O GLU A 27 -4.894 4.258 15.583 1.00 0.00 O ATOM 415 CB GLU A 27 -6.089 7.326 16.516 1.00 0.00 C ATOM 416 CG GLU A 27 -7.579 7.671 16.464 1.00 0.00 C ATOM 417 CD GLU A 27 -7.864 8.705 15.372 1.00 0.00 C ATOM 418 OE1 GLU A 27 -7.012 9.604 15.206 1.00 0.00 O ATOM 419 OE2 GLU A 27 -8.927 8.573 14.729 1.00 0.00 O ATOM 0 H GLU A 27 -5.620 6.819 18.899 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.781 5.335 16.820 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.570 8.033 17.163 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.654 7.426 15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.159 6.768 16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.900 8.059 17.431 1.00 0.00 H new ATOM 426 N LEU A 28 -3.517 5.772 16.546 1.00 0.00 N ATOM 427 CA LEU A 28 -2.315 5.237 15.930 1.00 0.00 C ATOM 428 C LEU A 28 -2.202 3.746 16.254 1.00 0.00 C ATOM 429 O LEU A 28 -1.885 2.940 15.381 1.00 0.00 O ATOM 430 CB LEU A 28 -1.090 6.052 16.349 1.00 0.00 C ATOM 431 CG LEU A 28 0.105 6.005 15.395 1.00 0.00 C ATOM 432 CD1 LEU A 28 -0.322 5.530 14.005 1.00 0.00 C ATOM 433 CD2 LEU A 28 0.819 7.357 15.344 1.00 0.00 C ATOM 0 H LEU A 28 -3.363 6.577 17.152 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.371 5.325 14.845 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.394 7.092 16.468 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.762 5.701 17.328 1.00 0.00 H new ATOM 0 HG LEU A 28 0.820 5.277 15.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.546 5.506 13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.750 4.530 14.078 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.066 6.215 13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.664 7.296 14.659 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.125 8.122 14.997 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.177 7.617 16.340 1.00 0.00 H new ATOM 445 N LYS A 29 -2.468 3.424 17.512 1.00 0.00 N ATOM 446 CA LYS A 29 -2.400 2.045 17.962 1.00 0.00 C ATOM 447 C LYS A 29 -3.041 1.137 16.910 1.00 0.00 C ATOM 448 O LYS A 29 -2.411 0.197 16.429 1.00 0.00 O ATOM 449 CB LYS A 29 -3.018 1.904 19.355 1.00 0.00 C ATOM 450 CG LYS A 29 -2.890 0.469 19.869 1.00 0.00 C ATOM 451 CD LYS A 29 -2.735 0.444 21.391 1.00 0.00 C ATOM 452 CE LYS A 29 -3.874 -0.342 22.045 1.00 0.00 C ATOM 453 NZ LYS A 29 -5.134 0.434 21.996 1.00 0.00 N ATOM 0 H LYS A 29 -2.731 4.095 18.233 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.362 1.730 18.066 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.525 2.587 20.046 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.069 2.189 19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.771 -0.105 19.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.030 -0.012 19.404 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.778 -0.007 21.655 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.724 1.464 21.776 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.007 -1.295 21.533 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.620 -0.569 23.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.896 -0.113 22.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.008 1.333 22.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.383 0.629 21.005 1.00 0.00 H new ATOM 467 N LEU A 30 -4.287 1.451 16.584 1.00 0.00 N ATOM 468 CA LEU A 30 -5.020 0.676 15.598 1.00 0.00 C ATOM 469 C LEU A 30 -4.195 0.582 14.313 1.00 0.00 C ATOM 470 O LEU A 30 -3.887 -0.514 13.848 1.00 0.00 O ATOM 471 CB LEU A 30 -6.419 1.260 15.390 1.00 0.00 C ATOM 472 CG LEU A 30 -7.301 1.349 16.637 1.00 0.00 C ATOM 473 CD1 LEU A 30 -8.770 1.540 16.257 1.00 0.00 C ATOM 474 CD2 LEU A 30 -7.097 0.132 17.541 1.00 0.00 C ATOM 0 H LEU A 30 -4.807 2.231 16.985 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.175 -0.343 15.953 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.315 2.261 14.971 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.937 0.655 14.646 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.999 2.228 17.207 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.375 1.600 17.162 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.881 2.461 15.684 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.103 0.695 15.654 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.736 0.220 18.420 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.356 -0.775 16.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.054 0.082 17.854 1.00 0.00 H new ATOM 486 N LEU A 31 -3.862 1.746 13.775 1.00 0.00 N ATOM 487 CA LEU A 31 -3.079 1.810 12.553 1.00 0.00 C ATOM 488 C LEU A 31 -1.845 0.917 12.697 1.00 0.00 C ATOM 489 O LEU A 31 -1.687 -0.054 11.958 1.00 0.00 O ATOM 490 CB LEU A 31 -2.750 3.262 12.202 1.00 0.00 C ATOM 491 CG LEU A 31 -2.501 3.554 10.721 1.00 0.00 C ATOM 492 CD1 LEU A 31 -3.504 4.579 10.188 1.00 0.00 C ATOM 493 CD2 LEU A 31 -1.054 3.991 10.484 1.00 0.00 C ATOM 0 H LEU A 31 -4.120 2.653 14.163 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.655 1.426 11.711 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.571 3.892 12.543 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.865 3.559 12.764 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.655 2.632 10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.305 4.769 9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.516 4.191 10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.407 5.509 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.904 4.192 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.848 4.895 11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.378 3.198 10.802 1.00 0.00 H new ATOM 505 N LEU A 32 -1.001 1.278 13.652 1.00 0.00 N ATOM 506 CA LEU A 32 0.215 0.522 13.902 1.00 0.00 C ATOM 507 C LEU A 32 -0.121 -0.969 13.965 1.00 0.00 C ATOM 508 O LEU A 32 0.743 -1.814 13.738 1.00 0.00 O ATOM 509 CB LEU A 32 0.924 1.046 15.152 1.00 0.00 C ATOM 510 CG LEU A 32 1.242 2.543 15.165 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.540 3.027 16.585 1.00 0.00 C ATOM 512 CD2 LEU A 32 2.381 2.870 14.197 1.00 0.00 C ATOM 0 H LEU A 32 -1.135 2.084 14.262 1.00 0.00 H new ATOM 0 HA LEU A 32 0.922 0.656 13.083 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.304 0.819 16.019 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.857 0.496 15.274 1.00 0.00 H new ATOM 0 HG LEU A 32 0.361 3.083 14.819 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.763 4.094 16.567 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.672 2.848 17.220 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.398 2.484 16.982 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.587 3.940 14.226 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.276 2.320 14.489 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.093 2.583 13.186 1.00 0.00 H new ATOM 524 N GLN A 33 -1.379 -1.247 14.274 1.00 0.00 N ATOM 525 CA GLN A 33 -1.840 -2.622 14.371 1.00 0.00 C ATOM 526 C GLN A 33 -1.887 -3.264 12.983 1.00 0.00 C ATOM 527 O GLN A 33 -1.155 -4.214 12.709 1.00 0.00 O ATOM 528 CB GLN A 33 -3.206 -2.695 15.055 1.00 0.00 C ATOM 529 CG GLN A 33 -3.252 -3.844 16.065 1.00 0.00 C ATOM 530 CD GLN A 33 -4.692 -4.145 16.488 1.00 0.00 C ATOM 531 OE1 GLN A 33 -5.249 -5.188 16.188 1.00 0.00 O ATOM 532 NE2 GLN A 33 -5.261 -3.176 17.199 1.00 0.00 N ATOM 0 H GLN A 33 -2.094 -0.543 14.461 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.133 -3.180 14.985 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.414 -1.752 15.561 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.985 -2.833 14.305 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.804 -4.736 15.627 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.658 -3.586 16.942 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.738 -2.328 17.415 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.221 -3.281 17.528 1.00 0.00 H new ATOM 541 N THR A 34 -2.756 -2.720 12.143 1.00 0.00 N ATOM 542 CA THR A 34 -2.908 -3.228 10.790 1.00 0.00 C ATOM 543 C THR A 34 -1.793 -2.690 9.890 1.00 0.00 C ATOM 544 O THR A 34 -1.137 -3.455 9.185 1.00 0.00 O ATOM 545 CB THR A 34 -4.311 -2.862 10.303 1.00 0.00 C ATOM 546 OG1 THR A 34 -5.041 -4.083 10.398 1.00 0.00 O ATOM 547 CG2 THR A 34 -4.344 -2.524 8.811 1.00 0.00 C ATOM 0 H THR A 34 -3.362 -1.933 12.373 1.00 0.00 H new ATOM 0 HA THR A 34 -2.811 -4.313 10.762 1.00 0.00 H new ATOM 0 HB THR A 34 -4.683 -2.013 10.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.964 -3.936 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.363 -2.272 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.689 -1.675 8.616 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.003 -3.385 8.235 1.00 0.00 H new ATOM 555 N GLU A 35 -1.614 -1.379 9.944 1.00 0.00 N ATOM 556 CA GLU A 35 -0.590 -0.730 9.142 1.00 0.00 C ATOM 557 C GLU A 35 0.734 -1.489 9.257 1.00 0.00 C ATOM 558 O GLU A 35 1.259 -1.983 8.261 1.00 0.00 O ATOM 559 CB GLU A 35 -0.420 0.734 9.550 1.00 0.00 C ATOM 560 CG GLU A 35 0.745 1.381 8.799 1.00 0.00 C ATOM 561 CD GLU A 35 0.241 2.424 7.798 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.366 1.998 6.792 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.474 3.623 8.063 1.00 0.00 O ATOM 0 H GLU A 35 -2.160 -0.748 10.530 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.907 -0.747 8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.339 1.282 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.245 0.798 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.424 1.852 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.315 0.614 8.275 1.00 0.00 H new ATOM 570 N PHE A 36 1.235 -1.557 10.482 1.00 0.00 N ATOM 571 CA PHE A 36 2.488 -2.247 10.740 1.00 0.00 C ATOM 572 C PHE A 36 2.524 -2.802 12.165 1.00 0.00 C ATOM 573 O PHE A 36 2.983 -2.129 13.086 1.00 0.00 O ATOM 574 CB PHE A 36 3.607 -1.216 10.578 1.00 0.00 C ATOM 575 CG PHE A 36 3.905 -0.844 9.124 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.381 -1.784 8.265 1.00 0.00 C ATOM 577 CD2 PHE A 36 3.693 0.428 8.691 1.00 0.00 C ATOM 578 CE1 PHE A 36 4.658 -1.439 6.916 1.00 0.00 C ATOM 579 CE2 PHE A 36 3.969 0.773 7.342 1.00 0.00 C ATOM 580 CZ PHE A 36 4.446 -0.167 6.483 1.00 0.00 C ATOM 0 H PHE A 36 0.796 -1.146 11.306 1.00 0.00 H new ATOM 0 HA PHE A 36 2.602 -3.083 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.337 -0.313 11.125 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.516 -1.606 11.036 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.549 -2.794 8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.315 1.175 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.037 -2.186 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.800 1.783 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.657 0.096 5.457 1.00 0.00 H new ATOM 590 N PRO A 37 2.021 -4.058 12.305 1.00 0.00 N ATOM 591 CA PRO A 37 1.991 -4.712 13.602 1.00 0.00 C ATOM 592 C PRO A 37 3.387 -5.189 14.008 1.00 0.00 C ATOM 593 O PRO A 37 3.560 -5.780 15.073 1.00 0.00 O ATOM 594 CB PRO A 37 0.997 -5.851 13.446 1.00 0.00 C ATOM 595 CG PRO A 37 0.857 -6.080 11.950 1.00 0.00 C ATOM 596 CD PRO A 37 1.469 -4.886 11.237 1.00 0.00 C ATOM 0 HA PRO A 37 1.684 -4.041 14.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.353 -6.751 13.947 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.037 -5.595 13.894 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.362 -7.000 11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.192 -6.191 11.677 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.244 -5.198 10.537 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.720 -4.342 10.662 1.00 0.00 H new ATOM 604 N SER A 38 4.348 -4.913 13.138 1.00 0.00 N ATOM 605 CA SER A 38 5.723 -5.307 13.392 1.00 0.00 C ATOM 606 C SER A 38 6.424 -4.242 14.238 1.00 0.00 C ATOM 607 O SER A 38 7.290 -4.561 15.052 1.00 0.00 O ATOM 608 CB SER A 38 6.483 -5.529 12.083 1.00 0.00 C ATOM 609 OG SER A 38 7.482 -6.538 12.210 1.00 0.00 O ATOM 0 H SER A 38 4.201 -4.421 12.257 1.00 0.00 H new ATOM 0 HA SER A 38 5.713 -6.249 13.940 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.780 -5.811 11.299 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.949 -4.594 11.772 1.00 0.00 H new ATOM 0 HG SER A 38 7.943 -6.651 11.353 1.00 0.00 H new ATOM 615 N LEU A 39 6.024 -2.998 14.017 1.00 0.00 N ATOM 616 CA LEU A 39 6.603 -1.885 14.749 1.00 0.00 C ATOM 617 C LEU A 39 6.177 -1.968 16.216 1.00 0.00 C ATOM 618 O LEU A 39 6.803 -1.361 17.084 1.00 0.00 O ATOM 619 CB LEU A 39 6.243 -0.558 14.079 1.00 0.00 C ATOM 620 CG LEU A 39 7.422 0.318 13.647 1.00 0.00 C ATOM 621 CD1 LEU A 39 6.933 1.614 12.998 1.00 0.00 C ATOM 622 CD2 LEU A 39 8.365 0.585 14.822 1.00 0.00 C ATOM 0 H LEU A 39 5.306 -2.737 13.341 1.00 0.00 H new ATOM 0 HA LEU A 39 7.691 -1.941 14.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.633 -0.771 13.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.622 0.016 14.766 1.00 0.00 H new ATOM 0 HG LEU A 39 7.993 -0.224 12.893 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.790 2.218 12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.333 1.377 12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.326 2.172 13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.194 1.209 14.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.821 1.097 15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.752 -0.361 15.200 1.00 0.00 H new ATOM 634 N LEU A 40 5.114 -2.724 16.449 1.00 0.00 N ATOM 635 CA LEU A 40 4.597 -2.894 17.796 1.00 0.00 C ATOM 636 C LEU A 40 5.524 -3.826 18.580 1.00 0.00 C ATOM 637 O LEU A 40 5.663 -3.691 19.794 1.00 0.00 O ATOM 638 CB LEU A 40 3.142 -3.367 17.756 1.00 0.00 C ATOM 639 CG LEU A 40 2.123 -2.354 17.230 1.00 0.00 C ATOM 640 CD1 LEU A 40 0.781 -3.028 16.939 1.00 0.00 C ATOM 641 CD2 LEU A 40 1.974 -1.175 18.194 1.00 0.00 C ATOM 0 H LEU A 40 4.597 -3.226 15.727 1.00 0.00 H new ATOM 0 HA LEU A 40 4.584 -1.939 18.322 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.088 -4.262 17.136 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.848 -3.659 18.764 1.00 0.00 H new ATOM 0 HG LEU A 40 2.495 -1.954 16.287 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.075 -2.286 16.566 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.920 -3.806 16.188 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.391 -3.473 17.855 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.244 -0.470 17.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.636 -1.539 19.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.936 -0.675 18.309 1.00 0.00 H new ATOM 653 N LYS A 41 6.135 -4.749 17.852 1.00 0.00 N ATOM 654 CA LYS A 41 7.045 -5.703 18.464 1.00 0.00 C ATOM 655 C LYS A 41 8.382 -5.015 18.748 1.00 0.00 C ATOM 656 O LYS A 41 9.089 -5.386 19.684 1.00 0.00 O ATOM 657 CB LYS A 41 7.171 -6.957 17.597 1.00 0.00 C ATOM 658 CG LYS A 41 8.071 -6.698 16.387 1.00 0.00 C ATOM 659 CD LYS A 41 9.186 -7.742 16.300 1.00 0.00 C ATOM 660 CE LYS A 41 10.318 -7.417 17.277 1.00 0.00 C ATOM 661 NZ LYS A 41 11.216 -8.582 17.435 1.00 0.00 N ATOM 0 H LYS A 41 6.018 -4.857 16.844 1.00 0.00 H new ATOM 0 HA LYS A 41 6.651 -6.045 19.421 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.580 -7.775 18.191 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.183 -7.271 17.260 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.475 -6.720 15.475 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.506 -5.701 16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.782 -8.730 16.521 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.577 -7.778 15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.885 -6.560 16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.902 -7.137 18.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.979 -8.345 18.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.675 -9.390 17.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.627 -8.831 16.513 1.00 0.00 H new ATOM 675 N GLY A 42 8.688 -4.024 17.923 1.00 0.00 N ATOM 676 CA GLY A 42 9.928 -3.281 18.074 1.00 0.00 C ATOM 677 C GLY A 42 10.200 -2.960 19.545 1.00 0.00 C ATOM 678 O GLY A 42 9.319 -3.113 20.390 1.00 0.00 O ATOM 0 H GLY A 42 8.099 -3.718 17.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.756 -3.861 17.666 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.874 -2.356 17.500 1.00 0.00 H new ATOM 682 N MET A 43 11.422 -2.522 19.805 1.00 0.00 N ATOM 683 CA MET A 43 11.821 -2.178 21.160 1.00 0.00 C ATOM 684 C MET A 43 11.140 -0.888 21.621 1.00 0.00 C ATOM 685 O MET A 43 11.281 -0.485 22.775 1.00 0.00 O ATOM 686 CB MET A 43 13.340 -2.001 21.216 1.00 0.00 C ATOM 687 CG MET A 43 14.057 -3.286 20.797 1.00 0.00 C ATOM 688 SD MET A 43 14.461 -4.258 22.239 1.00 0.00 S ATOM 689 CE MET A 43 14.474 -5.891 21.518 1.00 0.00 C ATOM 0 H MET A 43 12.150 -2.397 19.101 1.00 0.00 H new ATOM 0 HA MET A 43 11.516 -2.986 21.825 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.639 -1.183 20.560 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.641 -1.725 22.227 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.422 -3.864 20.125 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.966 -3.042 20.246 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.711 -6.626 22.287 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.493 -6.110 21.097 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.226 -5.935 20.730 1.00 0.00 H new ATOM 699 N SER A 44 10.415 -0.276 20.696 1.00 0.00 N ATOM 700 CA SER A 44 9.711 0.960 20.994 1.00 0.00 C ATOM 701 C SER A 44 8.245 0.663 21.317 1.00 0.00 C ATOM 702 O SER A 44 7.430 0.484 20.414 1.00 0.00 O ATOM 703 CB SER A 44 9.808 1.944 19.826 1.00 0.00 C ATOM 704 OG SER A 44 11.147 2.091 19.362 1.00 0.00 O ATOM 0 H SER A 44 10.300 -0.613 19.740 1.00 0.00 H new ATOM 0 HA SER A 44 10.182 1.421 21.863 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.177 1.599 19.007 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.423 2.915 20.137 1.00 0.00 H new ATOM 0 HG SER A 44 11.167 2.726 18.615 1.00 0.00 H new ATOM 710 N THR A 45 7.955 0.618 22.609 1.00 0.00 N ATOM 711 CA THR A 45 6.602 0.346 23.063 1.00 0.00 C ATOM 712 C THR A 45 5.634 1.398 22.519 1.00 0.00 C ATOM 713 O THR A 45 6.060 2.407 21.959 1.00 0.00 O ATOM 714 CB THR A 45 6.622 0.271 24.591 1.00 0.00 C ATOM 715 OG1 THR A 45 6.994 1.585 24.998 1.00 0.00 O ATOM 716 CG2 THR A 45 7.750 -0.616 25.120 1.00 0.00 C ATOM 0 H THR A 45 8.634 0.765 23.356 1.00 0.00 H new ATOM 0 HA THR A 45 6.242 -0.609 22.681 1.00 0.00 H new ATOM 0 HB THR A 45 5.665 -0.109 24.948 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.030 1.627 25.976 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.718 -0.634 26.209 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.627 -1.629 24.737 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.710 -0.218 24.792 1.00 0.00 H new ATOM 724 N LEU A 46 4.351 1.127 22.701 1.00 0.00 N ATOM 725 CA LEU A 46 3.319 2.038 22.235 1.00 0.00 C ATOM 726 C LEU A 46 3.629 3.450 22.735 1.00 0.00 C ATOM 727 O LEU A 46 3.877 4.354 21.938 1.00 0.00 O ATOM 728 CB LEU A 46 1.934 1.531 22.642 1.00 0.00 C ATOM 729 CG LEU A 46 0.768 1.990 21.763 1.00 0.00 C ATOM 730 CD1 LEU A 46 0.281 3.379 22.180 1.00 0.00 C ATOM 731 CD2 LEU A 46 1.144 1.935 20.281 1.00 0.00 C ATOM 0 H LEU A 46 4.001 0.289 23.165 1.00 0.00 H new ATOM 0 HA LEU A 46 3.310 2.080 21.146 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.954 0.441 22.645 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.739 1.849 23.666 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.063 1.300 21.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.548 3.681 21.540 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.053 3.351 23.217 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.096 4.095 22.081 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.298 2.266 19.678 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.998 2.588 20.098 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.405 0.912 20.009 1.00 0.00 H new ATOM 743 N ASP A 47 3.604 3.596 24.052 1.00 0.00 N ATOM 744 CA ASP A 47 3.879 4.884 24.667 1.00 0.00 C ATOM 745 C ASP A 47 5.101 5.514 23.996 1.00 0.00 C ATOM 746 O ASP A 47 5.071 6.684 23.617 1.00 0.00 O ATOM 747 CB ASP A 47 4.187 4.727 26.158 1.00 0.00 C ATOM 748 CG ASP A 47 3.323 5.579 27.089 1.00 0.00 C ATOM 749 OD1 ASP A 47 3.240 6.799 26.829 1.00 0.00 O ATOM 750 OD2 ASP A 47 2.764 4.991 28.040 1.00 0.00 O ATOM 0 H ASP A 47 3.398 2.844 24.710 1.00 0.00 H new ATOM 0 HA ASP A 47 2.996 5.512 24.545 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.064 3.679 26.431 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.234 4.979 26.326 1.00 0.00 H new ATOM 755 N GLU A 48 6.147 4.711 23.869 1.00 0.00 N ATOM 756 CA GLU A 48 7.376 5.176 23.250 1.00 0.00 C ATOM 757 C GLU A 48 7.089 5.738 21.856 1.00 0.00 C ATOM 758 O GLU A 48 7.585 6.806 21.499 1.00 0.00 O ATOM 759 CB GLU A 48 8.416 4.055 23.185 1.00 0.00 C ATOM 760 CG GLU A 48 9.578 4.330 24.142 1.00 0.00 C ATOM 761 CD GLU A 48 10.874 3.702 23.625 1.00 0.00 C ATOM 762 OE1 GLU A 48 11.485 4.321 22.727 1.00 0.00 O ATOM 763 OE2 GLU A 48 11.224 2.618 24.139 1.00 0.00 O ATOM 0 H GLU A 48 6.169 3.741 24.184 1.00 0.00 H new ATOM 0 HA GLU A 48 7.789 5.975 23.865 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.948 3.104 23.439 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.793 3.962 22.166 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.712 5.406 24.258 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.344 3.930 25.128 1.00 0.00 H new ATOM 770 N LEU A 49 6.290 4.994 21.105 1.00 0.00 N ATOM 771 CA LEU A 49 5.932 5.405 19.759 1.00 0.00 C ATOM 772 C LEU A 49 5.097 6.685 19.826 1.00 0.00 C ATOM 773 O LEU A 49 5.319 7.617 19.054 1.00 0.00 O ATOM 774 CB LEU A 49 5.242 4.259 19.015 1.00 0.00 C ATOM 775 CG LEU A 49 5.731 3.994 17.590 1.00 0.00 C ATOM 776 CD1 LEU A 49 6.861 2.963 17.582 1.00 0.00 C ATOM 777 CD2 LEU A 49 4.572 3.581 16.680 1.00 0.00 C ATOM 0 H LEU A 49 5.881 4.109 21.404 1.00 0.00 H new ATOM 0 HA LEU A 49 6.826 5.638 19.181 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.369 3.346 19.597 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.173 4.468 18.978 1.00 0.00 H new ATOM 0 HG LEU A 49 6.139 4.923 17.190 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.191 2.792 16.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.697 3.335 18.175 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.502 2.026 18.008 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.947 3.399 15.673 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.112 2.671 17.066 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.830 4.379 16.652 1.00 0.00 H new ATOM 789 N PHE A 50 4.154 6.691 20.757 1.00 0.00 N ATOM 790 CA PHE A 50 3.285 7.842 20.935 1.00 0.00 C ATOM 791 C PHE A 50 4.101 9.111 21.187 1.00 0.00 C ATOM 792 O PHE A 50 3.931 10.112 20.492 1.00 0.00 O ATOM 793 CB PHE A 50 2.413 7.559 22.160 1.00 0.00 C ATOM 794 CG PHE A 50 1.356 8.630 22.432 1.00 0.00 C ATOM 795 CD1 PHE A 50 0.616 9.131 21.408 1.00 0.00 C ATOM 796 CD2 PHE A 50 1.156 9.082 23.700 1.00 0.00 C ATOM 797 CE1 PHE A 50 -0.366 10.126 21.660 1.00 0.00 C ATOM 798 CE2 PHE A 50 0.175 10.077 23.953 1.00 0.00 C ATOM 799 CZ PHE A 50 -0.565 10.578 22.928 1.00 0.00 C ATOM 0 H PHE A 50 3.973 5.917 21.396 1.00 0.00 H new ATOM 0 HA PHE A 50 2.687 7.999 20.037 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.916 6.598 22.025 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.055 7.466 23.036 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.775 8.772 20.402 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.744 8.684 24.514 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.954 10.523 20.846 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.017 10.436 24.959 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.311 11.335 23.120 1.00 0.00 H new ATOM 809 N GLU A 51 4.971 9.029 22.184 1.00 0.00 N ATOM 810 CA GLU A 51 5.814 10.159 22.536 1.00 0.00 C ATOM 811 C GLU A 51 6.882 10.379 21.464 1.00 0.00 C ATOM 812 O GLU A 51 7.185 11.517 21.109 1.00 0.00 O ATOM 813 CB GLU A 51 6.452 9.958 23.912 1.00 0.00 C ATOM 814 CG GLU A 51 7.518 8.862 23.868 1.00 0.00 C ATOM 815 CD GLU A 51 8.826 9.392 23.277 1.00 0.00 C ATOM 816 OE1 GLU A 51 9.164 10.552 23.596 1.00 0.00 O ATOM 817 OE2 GLU A 51 9.458 8.626 22.518 1.00 0.00 O ATOM 0 H GLU A 51 5.110 8.198 22.759 1.00 0.00 H new ATOM 0 HA GLU A 51 5.190 11.051 22.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.900 10.893 24.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.683 9.693 24.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.697 8.483 24.874 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.158 8.024 23.271 1.00 0.00 H new ATOM 824 N GLU A 52 7.424 9.272 20.977 1.00 0.00 N ATOM 825 CA GLU A 52 8.452 9.330 19.952 1.00 0.00 C ATOM 826 C GLU A 52 7.924 10.053 18.711 1.00 0.00 C ATOM 827 O GLU A 52 8.506 11.042 18.269 1.00 0.00 O ATOM 828 CB GLU A 52 8.953 7.929 19.598 1.00 0.00 C ATOM 829 CG GLU A 52 9.968 7.982 18.454 1.00 0.00 C ATOM 830 CD GLU A 52 10.638 6.621 18.252 1.00 0.00 C ATOM 831 OE1 GLU A 52 10.759 5.893 19.261 1.00 0.00 O ATOM 832 OE2 GLU A 52 11.015 6.341 17.094 1.00 0.00 O ATOM 0 H GLU A 52 7.170 8.330 21.274 1.00 0.00 H new ATOM 0 HA GLU A 52 9.298 9.894 20.345 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.411 7.471 20.474 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.111 7.299 19.312 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.469 8.286 17.534 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.725 8.736 18.670 1.00 0.00 H new ATOM 839 N LEU A 53 6.826 9.531 18.183 1.00 0.00 N ATOM 840 CA LEU A 53 6.213 10.114 17.002 1.00 0.00 C ATOM 841 C LEU A 53 6.043 11.620 17.212 1.00 0.00 C ATOM 842 O LEU A 53 6.593 12.421 16.458 1.00 0.00 O ATOM 843 CB LEU A 53 4.909 9.389 16.662 1.00 0.00 C ATOM 844 CG LEU A 53 5.033 7.896 16.353 1.00 0.00 C ATOM 845 CD1 LEU A 53 3.766 7.144 16.765 1.00 0.00 C ATOM 846 CD2 LEU A 53 5.381 7.668 14.880 1.00 0.00 C ATOM 0 H LEU A 53 6.345 8.710 18.552 1.00 0.00 H new ATOM 0 HA LEU A 53 6.859 9.984 16.134 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.220 9.511 17.498 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.456 9.882 15.801 1.00 0.00 H new ATOM 0 HG LEU A 53 5.854 7.492 16.945 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.880 6.085 16.534 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.602 7.267 17.836 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.912 7.544 16.219 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.463 6.598 14.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.597 8.091 14.251 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.330 8.152 14.651 1.00 0.00 H new ATOM 858 N ASP A 54 5.278 11.960 18.239 1.00 0.00 N ATOM 859 CA ASP A 54 5.029 13.355 18.557 1.00 0.00 C ATOM 860 C ASP A 54 6.364 14.077 18.747 1.00 0.00 C ATOM 861 O ASP A 54 7.412 13.439 18.837 1.00 0.00 O ATOM 862 CB ASP A 54 4.230 13.490 19.855 1.00 0.00 C ATOM 863 CG ASP A 54 3.861 14.923 20.241 1.00 0.00 C ATOM 864 OD1 ASP A 54 3.500 15.685 19.318 1.00 0.00 O ATOM 865 OD2 ASP A 54 3.947 15.226 21.451 1.00 0.00 O ATOM 0 H ASP A 54 4.822 11.293 18.862 1.00 0.00 H new ATOM 0 HA ASP A 54 4.460 13.791 17.736 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.313 12.907 19.762 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.808 13.048 20.667 1.00 0.00 H new ATOM 870 N LYS A 55 6.284 15.399 18.801 1.00 0.00 N ATOM 871 CA LYS A 55 7.473 16.214 18.978 1.00 0.00 C ATOM 872 C LYS A 55 7.060 17.675 19.170 1.00 0.00 C ATOM 873 O LYS A 55 7.632 18.381 20.000 1.00 0.00 O ATOM 874 CB LYS A 55 8.448 15.998 17.819 1.00 0.00 C ATOM 875 CG LYS A 55 9.898 16.062 18.303 1.00 0.00 C ATOM 876 CD LYS A 55 10.427 14.666 18.636 1.00 0.00 C ATOM 877 CE LYS A 55 10.507 14.456 20.149 1.00 0.00 C ATOM 878 NZ LYS A 55 11.222 13.199 20.461 1.00 0.00 N ATOM 0 H LYS A 55 5.414 15.925 18.725 1.00 0.00 H new ATOM 0 HA LYS A 55 8.011 15.913 19.877 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.258 15.030 17.355 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.283 16.756 17.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.522 16.517 17.534 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.963 16.699 19.185 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.776 13.912 18.195 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.414 14.533 18.194 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.021 15.298 20.612 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.503 14.424 20.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.267 13.072 21.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.715 12.397 20.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.187 13.243 20.075 1.00 0.00 H new ATOM 892 N ASN A 56 6.071 18.085 18.390 1.00 0.00 N ATOM 893 CA ASN A 56 5.575 19.449 18.464 1.00 0.00 C ATOM 894 C ASN A 56 5.129 19.747 19.897 1.00 0.00 C ATOM 895 O ASN A 56 4.993 20.908 20.279 1.00 0.00 O ATOM 896 CB ASN A 56 4.371 19.648 17.542 1.00 0.00 C ATOM 897 CG ASN A 56 4.627 19.033 16.165 1.00 0.00 C ATOM 898 OD1 ASN A 56 4.063 18.016 15.796 1.00 0.00 O ATOM 899 ND2 ASN A 56 5.506 19.705 15.428 1.00 0.00 N ATOM 0 H ASN A 56 5.599 17.497 17.703 1.00 0.00 H new ATOM 0 HA ASN A 56 6.379 20.118 18.156 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.487 19.193 17.989 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.162 20.712 17.436 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.745 19.376 14.493 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.942 20.550 15.798 1.00 0.00 H new ATOM 906 N GLY A 57 4.913 18.679 20.650 1.00 0.00 N ATOM 907 CA GLY A 57 4.485 18.812 22.032 1.00 0.00 C ATOM 908 C GLY A 57 3.018 19.238 22.113 1.00 0.00 C ATOM 909 O GLY A 57 2.696 20.259 22.720 1.00 0.00 O ATOM 0 H GLY A 57 5.026 17.717 20.329 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.621 17.863 22.551 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.109 19.547 22.541 1.00 0.00 H new ATOM 913 N ASP A 58 2.167 18.435 21.492 1.00 0.00 N ATOM 914 CA ASP A 58 0.741 18.716 21.486 1.00 0.00 C ATOM 915 C ASP A 58 -0.027 17.440 21.837 1.00 0.00 C ATOM 916 O ASP A 58 -0.842 17.436 22.759 1.00 0.00 O ATOM 917 CB ASP A 58 0.277 19.182 20.105 1.00 0.00 C ATOM 918 CG ASP A 58 0.749 18.314 18.937 1.00 0.00 C ATOM 919 OD1 ASP A 58 1.795 17.652 19.108 1.00 0.00 O ATOM 920 OD2 ASP A 58 0.052 18.331 17.899 1.00 0.00 O ATOM 0 H ASP A 58 2.437 17.590 20.989 1.00 0.00 H new ATOM 0 HA ASP A 58 0.549 19.503 22.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.812 19.215 20.096 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.628 20.202 19.945 1.00 0.00 H new ATOM 925 N GLY A 59 0.258 16.389 21.083 1.00 0.00 N ATOM 926 CA GLY A 59 -0.396 15.110 21.302 1.00 0.00 C ATOM 927 C GLY A 59 -1.002 14.574 20.004 1.00 0.00 C ATOM 928 O GLY A 59 -1.577 13.487 19.986 1.00 0.00 O ATOM 0 H GLY A 59 0.934 16.397 20.319 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.324 14.392 21.695 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.178 15.221 22.054 1.00 0.00 H new ATOM 932 N GLU A 60 -0.852 15.362 18.949 1.00 0.00 N ATOM 933 CA GLU A 60 -1.377 14.980 17.649 1.00 0.00 C ATOM 934 C GLU A 60 -0.245 14.498 16.740 1.00 0.00 C ATOM 935 O GLU A 60 0.734 15.212 16.530 1.00 0.00 O ATOM 936 CB GLU A 60 -2.142 16.138 17.005 1.00 0.00 C ATOM 937 CG GLU A 60 -3.044 16.835 18.027 1.00 0.00 C ATOM 938 CD GLU A 60 -2.721 18.328 18.115 1.00 0.00 C ATOM 939 OE1 GLU A 60 -2.389 18.900 17.054 1.00 0.00 O ATOM 940 OE2 GLU A 60 -2.814 18.863 19.240 1.00 0.00 O ATOM 0 H GLU A 60 -0.374 16.263 18.968 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.079 14.158 17.790 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.437 16.857 16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.745 15.765 16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.089 16.701 17.746 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.915 16.373 19.006 1.00 0.00 H new ATOM 947 N VAL A 61 -0.417 13.290 16.224 1.00 0.00 N ATOM 948 CA VAL A 61 0.578 12.704 15.342 1.00 0.00 C ATOM 949 C VAL A 61 0.124 12.865 13.890 1.00 0.00 C ATOM 950 O VAL A 61 -0.041 11.879 13.174 1.00 0.00 O ATOM 951 CB VAL A 61 0.828 11.246 15.732 1.00 0.00 C ATOM 952 CG1 VAL A 61 1.671 10.532 14.672 1.00 0.00 C ATOM 953 CG2 VAL A 61 1.486 11.151 17.110 1.00 0.00 C ATOM 0 H VAL A 61 -1.231 12.701 16.400 1.00 0.00 H new ATOM 0 HA VAL A 61 1.532 13.222 15.444 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.138 10.744 15.787 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.834 9.497 14.973 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.148 10.553 13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.632 11.036 14.571 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.652 10.104 17.362 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.441 11.677 17.094 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.834 11.605 17.856 1.00 0.00 H new ATOM 963 N SER A 62 -0.064 14.117 13.498 1.00 0.00 N ATOM 964 CA SER A 62 -0.496 14.420 12.144 1.00 0.00 C ATOM 965 C SER A 62 0.339 13.625 11.139 1.00 0.00 C ATOM 966 O SER A 62 1.311 12.971 11.513 1.00 0.00 O ATOM 967 CB SER A 62 -0.389 15.919 11.855 1.00 0.00 C ATOM 968 OG SER A 62 0.418 16.592 12.817 1.00 0.00 O ATOM 0 H SER A 62 0.075 14.933 14.094 1.00 0.00 H new ATOM 0 HA SER A 62 -1.543 14.132 12.046 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.033 16.067 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.386 16.359 11.847 1.00 0.00 H new ATOM 0 HG SER A 62 0.463 17.546 12.597 1.00 0.00 H new ATOM 974 N PHE A 63 -0.071 13.706 9.882 1.00 0.00 N ATOM 975 CA PHE A 63 0.626 13.002 8.819 1.00 0.00 C ATOM 976 C PHE A 63 2.104 13.397 8.778 1.00 0.00 C ATOM 977 O PHE A 63 2.920 12.702 8.175 1.00 0.00 O ATOM 978 CB PHE A 63 -0.036 13.411 7.502 1.00 0.00 C ATOM 979 CG PHE A 63 0.365 12.541 6.308 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.123 11.203 6.330 1.00 0.00 C ATOM 981 CD2 PHE A 63 0.963 13.106 5.226 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.495 10.396 5.223 1.00 0.00 C ATOM 983 CE2 PHE A 63 1.335 12.299 4.118 1.00 0.00 C ATOM 984 CZ PHE A 63 1.093 10.961 4.140 1.00 0.00 C ATOM 0 H PHE A 63 -0.878 14.249 9.575 1.00 0.00 H new ATOM 0 HA PHE A 63 0.569 11.926 8.985 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.118 13.368 7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.220 14.448 7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.352 10.754 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.155 14.169 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.303 9.333 5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.810 12.748 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.376 10.347 3.298 1.00 0.00 H new ATOM 994 N GLU A 64 2.403 14.513 9.426 1.00 0.00 N ATOM 995 CA GLU A 64 3.768 15.009 9.471 1.00 0.00 C ATOM 996 C GLU A 64 4.646 14.073 10.304 1.00 0.00 C ATOM 997 O GLU A 64 5.645 13.551 9.810 1.00 0.00 O ATOM 998 CB GLU A 64 3.815 16.437 10.020 1.00 0.00 C ATOM 999 CG GLU A 64 2.517 17.185 9.712 1.00 0.00 C ATOM 1000 CD GLU A 64 2.008 16.847 8.310 1.00 0.00 C ATOM 1001 OE1 GLU A 64 2.870 16.641 7.428 1.00 0.00 O ATOM 1002 OE2 GLU A 64 0.769 16.802 8.151 1.00 0.00 O ATOM 0 H GLU A 64 1.724 15.088 9.924 1.00 0.00 H new ATOM 0 HA GLU A 64 4.159 15.033 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.977 16.411 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.659 16.971 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.759 16.924 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.684 18.259 9.793 1.00 0.00 H new ATOM 1009 N GLU A 65 4.243 13.889 11.552 1.00 0.00 N ATOM 1010 CA GLU A 65 4.980 13.024 12.458 1.00 0.00 C ATOM 1011 C GLU A 65 5.028 11.597 11.908 1.00 0.00 C ATOM 1012 O GLU A 65 5.982 10.863 12.160 1.00 0.00 O ATOM 1013 CB GLU A 65 4.370 13.052 13.860 1.00 0.00 C ATOM 1014 CG GLU A 65 4.306 14.481 14.402 1.00 0.00 C ATOM 1015 CD GLU A 65 5.460 14.754 15.368 1.00 0.00 C ATOM 1016 OE1 GLU A 65 6.592 14.347 15.029 1.00 0.00 O ATOM 1017 OE2 GLU A 65 5.185 15.364 16.424 1.00 0.00 O ATOM 0 H GLU A 65 3.415 14.324 11.958 1.00 0.00 H new ATOM 0 HA GLU A 65 6.001 13.397 12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.368 12.624 13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.963 12.431 14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.345 15.189 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.356 14.638 14.912 1.00 0.00 H new ATOM 1024 N PHE A 66 3.986 11.247 11.168 1.00 0.00 N ATOM 1025 CA PHE A 66 3.897 9.921 10.581 1.00 0.00 C ATOM 1026 C PHE A 66 5.084 9.651 9.654 1.00 0.00 C ATOM 1027 O PHE A 66 5.615 8.541 9.627 1.00 0.00 O ATOM 1028 CB PHE A 66 2.606 9.881 9.761 1.00 0.00 C ATOM 1029 CG PHE A 66 2.367 8.552 9.042 1.00 0.00 C ATOM 1030 CD1 PHE A 66 1.873 7.487 9.728 1.00 0.00 C ATOM 1031 CD2 PHE A 66 2.648 8.436 7.716 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.651 6.253 9.060 1.00 0.00 C ATOM 1033 CE2 PHE A 66 2.426 7.202 7.048 1.00 0.00 C ATOM 1034 CZ PHE A 66 1.932 6.137 7.734 1.00 0.00 C ATOM 0 H PHE A 66 3.196 11.859 10.962 1.00 0.00 H new ATOM 0 HA PHE A 66 3.904 9.165 11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.762 10.082 10.421 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.632 10.682 9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.649 7.579 10.781 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.040 9.282 7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.259 5.407 9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.650 7.110 5.995 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.763 5.199 7.226 1.00 0.00 H new ATOM 1044 N GLN A 67 5.467 10.684 8.918 1.00 0.00 N ATOM 1045 CA GLN A 67 6.581 10.572 7.993 1.00 0.00 C ATOM 1046 C GLN A 67 7.861 10.201 8.746 1.00 0.00 C ATOM 1047 O GLN A 67 8.845 9.784 8.136 1.00 0.00 O ATOM 1048 CB GLN A 67 6.768 11.867 7.200 1.00 0.00 C ATOM 1049 CG GLN A 67 5.473 12.266 6.489 1.00 0.00 C ATOM 1050 CD GLN A 67 5.768 12.892 5.124 1.00 0.00 C ATOM 1051 OE1 GLN A 67 6.842 13.412 4.870 1.00 0.00 O ATOM 1052 NE2 GLN A 67 4.758 12.813 4.263 1.00 0.00 N ATOM 0 H GLN A 67 5.025 11.603 8.944 1.00 0.00 H new ATOM 0 HA GLN A 67 6.358 9.778 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.080 12.667 7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.564 11.737 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.839 11.389 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.918 12.973 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.885 12.364 4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.856 13.201 3.325 1.00 0.00 H new ATOM 1061 N VAL A 68 7.805 10.365 10.059 1.00 0.00 N ATOM 1062 CA VAL A 68 8.947 10.052 10.901 1.00 0.00 C ATOM 1063 C VAL A 68 9.067 8.533 11.047 1.00 0.00 C ATOM 1064 O VAL A 68 10.171 7.992 11.046 1.00 0.00 O ATOM 1065 CB VAL A 68 8.820 10.773 12.245 1.00 0.00 C ATOM 1066 CG1 VAL A 68 10.095 10.615 13.075 1.00 0.00 C ATOM 1067 CG2 VAL A 68 8.476 12.250 12.043 1.00 0.00 C ATOM 0 H VAL A 68 6.987 10.711 10.561 1.00 0.00 H new ATOM 0 HA VAL A 68 9.869 10.409 10.442 1.00 0.00 H new ATOM 0 HB VAL A 68 8.002 10.311 12.798 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.978 11.137 14.025 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.278 9.557 13.262 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.939 11.038 12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.391 12.740 13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.263 12.731 11.461 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.529 12.333 11.511 1.00 0.00 H new ATOM 1077 N LEU A 69 7.915 7.890 11.169 1.00 0.00 N ATOM 1078 CA LEU A 69 7.878 6.445 11.315 1.00 0.00 C ATOM 1079 C LEU A 69 8.208 5.791 9.972 1.00 0.00 C ATOM 1080 O LEU A 69 8.813 4.722 9.930 1.00 0.00 O ATOM 1081 CB LEU A 69 6.536 6.001 11.902 1.00 0.00 C ATOM 1082 CG LEU A 69 6.589 4.833 12.889 1.00 0.00 C ATOM 1083 CD1 LEU A 69 7.573 5.119 14.025 1.00 0.00 C ATOM 1084 CD2 LEU A 69 5.192 4.493 13.412 1.00 0.00 C ATOM 0 H LEU A 69 7.001 8.343 11.170 1.00 0.00 H new ATOM 0 HA LEU A 69 8.636 6.114 12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.081 6.855 12.404 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.875 5.726 11.080 1.00 0.00 H new ATOM 0 HG LEU A 69 6.957 3.954 12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.591 4.273 14.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.570 5.273 13.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.260 6.015 14.561 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.258 3.660 14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.773 5.361 13.921 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.548 4.216 12.577 1.00 0.00 H new ATOM 1096 N VAL A 70 7.795 6.462 8.906 1.00 0.00 N ATOM 1097 CA VAL A 70 8.039 5.961 7.565 1.00 0.00 C ATOM 1098 C VAL A 70 9.538 5.715 7.382 1.00 0.00 C ATOM 1099 O VAL A 70 9.940 4.898 6.555 1.00 0.00 O ATOM 1100 CB VAL A 70 7.461 6.929 6.531 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.198 6.808 5.195 1.00 0.00 C ATOM 1102 CG2 VAL A 70 5.959 6.706 6.350 1.00 0.00 C ATOM 0 H VAL A 70 7.293 7.349 8.945 1.00 0.00 H new ATOM 0 HA VAL A 70 7.533 5.007 7.416 1.00 0.00 H new ATOM 0 HB VAL A 70 7.606 7.943 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.768 7.507 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.253 7.040 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.099 5.791 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.574 7.407 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.781 5.686 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.450 6.866 7.301 1.00 0.00 H new ATOM 1112 N LYS A 71 10.324 6.436 8.168 1.00 0.00 N ATOM 1113 CA LYS A 71 11.769 6.307 8.103 1.00 0.00 C ATOM 1114 C LYS A 71 12.181 4.947 8.670 1.00 0.00 C ATOM 1115 O LYS A 71 13.027 4.262 8.097 1.00 0.00 O ATOM 1116 CB LYS A 71 12.445 7.492 8.796 1.00 0.00 C ATOM 1117 CG LYS A 71 13.714 7.912 8.051 1.00 0.00 C ATOM 1118 CD LYS A 71 14.932 7.870 8.976 1.00 0.00 C ATOM 1119 CE LYS A 71 15.307 6.429 9.325 1.00 0.00 C ATOM 1120 NZ LYS A 71 16.709 6.356 9.792 1.00 0.00 N ATOM 0 H LYS A 71 9.987 7.112 8.854 1.00 0.00 H new ATOM 0 HA LYS A 71 12.108 6.338 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.753 8.333 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.694 7.224 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.876 7.250 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.590 8.919 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.776 8.362 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.719 8.425 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.640 6.051 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.175 5.791 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.947 5.371 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.343 6.697 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.824 6.949 10.639 1.00 0.00 H new ATOM 1134 N LYS A 72 11.565 4.597 9.789 1.00 0.00 N ATOM 1135 CA LYS A 72 11.857 3.331 10.440 1.00 0.00 C ATOM 1136 C LYS A 72 11.308 2.185 9.587 1.00 0.00 C ATOM 1137 O LYS A 72 11.956 1.150 9.442 1.00 0.00 O ATOM 1138 CB LYS A 72 11.331 3.334 11.877 1.00 0.00 C ATOM 1139 CG LYS A 72 12.112 4.323 12.744 1.00 0.00 C ATOM 1140 CD LYS A 72 13.499 3.776 13.088 1.00 0.00 C ATOM 1141 CE LYS A 72 13.923 4.201 14.496 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.578 3.077 15.201 1.00 0.00 N ATOM 0 H LYS A 72 10.865 5.168 10.262 1.00 0.00 H new ATOM 0 HA LYS A 72 12.934 3.183 10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.273 3.598 11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.411 2.332 12.300 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.212 5.273 12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.559 4.523 13.661 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.492 2.688 13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.227 4.137 12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.606 5.048 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.051 4.533 15.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.859 3.382 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.915 2.279 15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.421 2.778 14.670 1.00 0.00 H new ATOM 1156 N ILE A 73 10.120 2.410 9.046 1.00 0.00 N ATOM 1157 CA ILE A 73 9.477 1.409 8.211 1.00 0.00 C ATOM 1158 C ILE A 73 10.170 1.366 6.848 1.00 0.00 C ATOM 1159 O ILE A 73 9.875 0.501 6.024 1.00 0.00 O ATOM 1160 CB ILE A 73 7.971 1.669 8.127 1.00 0.00 C ATOM 1161 CG1 ILE A 73 7.353 1.766 9.523 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.279 0.610 7.266 1.00 0.00 C ATOM 1163 CD1 ILE A 73 6.088 2.627 9.504 1.00 0.00 C ATOM 0 H ILE A 73 9.586 3.270 9.169 1.00 0.00 H new ATOM 0 HA ILE A 73 9.583 0.419 8.654 1.00 0.00 H new ATOM 0 HB ILE A 73 7.817 2.631 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.112 0.768 9.888 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.077 2.193 10.216 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.210 0.818 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.694 0.632 6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.439 -0.376 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.669 2.680 10.509 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.337 3.631 9.162 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.356 2.184 8.828 1.00 0.00 H new ATOM 1175 N SER A 74 11.079 2.310 6.652 1.00 0.00 N ATOM 1176 CA SER A 74 11.817 2.391 5.403 1.00 0.00 C ATOM 1177 C SER A 74 13.098 1.559 5.497 1.00 0.00 C ATOM 1178 O SER A 74 13.462 0.864 4.549 1.00 0.00 O ATOM 1179 CB SER A 74 12.152 3.842 5.054 1.00 0.00 C ATOM 1180 OG SER A 74 11.326 4.343 4.006 1.00 0.00 O ATOM 0 H SER A 74 11.321 3.025 7.338 1.00 0.00 H new ATOM 0 HA SER A 74 11.188 1.990 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.031 4.465 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.198 3.911 4.756 1.00 0.00 H new ATOM 0 HG SER A 74 10.523 4.753 4.390 1.00 0.00 H new ATOM 1186 N GLN A 75 13.745 1.656 6.649 1.00 0.00 N ATOM 1187 CA GLN A 75 14.977 0.921 6.879 1.00 0.00 C ATOM 1188 C GLN A 75 14.688 -0.577 6.999 1.00 0.00 C ATOM 1189 O GLN A 75 15.374 -1.396 6.390 1.00 0.00 O ATOM 1190 CB GLN A 75 15.702 1.440 8.123 1.00 0.00 C ATOM 1191 CG GLN A 75 17.204 1.573 7.867 1.00 0.00 C ATOM 1192 CD GLN A 75 17.521 2.871 7.121 1.00 0.00 C ATOM 1193 OE1 GLN A 75 18.127 2.876 6.062 1.00 0.00 O ATOM 1194 NE2 GLN A 75 17.079 3.967 7.731 1.00 0.00 N ATOM 0 H GLN A 75 13.439 2.232 7.433 1.00 0.00 H new ATOM 0 HA GLN A 75 15.634 1.077 6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.291 2.408 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.531 0.761 8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.741 1.554 8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 75 17.554 0.720 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.578 3.891 8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.241 4.883 7.313 1.00 0.00 H new