USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00481 (180deg=-0.198) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0.546) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.258 (180deg=-0.474) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= -0.0411 (180deg=-0.271) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.92! C(o=-1.9!,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0216 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.929 -17.848 8.304 1.00 0.00 N ATOM 2 CA MET A 1 0.756 -17.218 7.000 1.00 0.00 C ATOM 3 C MET A 1 1.571 -15.933 6.912 1.00 0.00 C ATOM 4 O MET A 1 1.593 -15.136 7.849 1.00 0.00 O ATOM 5 CB MET A 1 -0.722 -16.911 6.744 1.00 0.00 C ATOM 6 CG MET A 1 -1.615 -18.142 6.744 1.00 0.00 C ATOM 7 SD MET A 1 -3.337 -17.748 6.376 1.00 0.00 S ATOM 8 CE MET A 1 -4.081 -19.375 6.463 1.00 0.00 C ATOM 0 H1 MET A 1 0.538 -18.811 8.279 1.00 0.00 H new ATOM 0 H2 MET A 1 1.942 -17.891 8.537 1.00 0.00 H new ATOM 0 H3 MET A 1 0.431 -17.291 9.027 1.00 0.00 H new ATOM 0 HA MET A 1 1.111 -17.913 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.076 -16.217 7.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.817 -16.405 5.783 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.244 -18.856 6.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.557 -18.629 7.718 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.149 -19.298 6.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.616 -20.028 5.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.932 -19.790 7.460 1.00 0.00 H new ATOM 18 N ARG A 2 2.238 -15.735 5.779 1.00 0.00 N ATOM 19 CA ARG A 2 3.049 -14.543 5.568 1.00 0.00 C ATOM 20 C ARG A 2 2.244 -13.459 4.859 1.00 0.00 C ATOM 21 O ARG A 2 1.561 -13.727 3.871 1.00 0.00 O ATOM 22 CB ARG A 2 4.294 -14.887 4.749 1.00 0.00 C ATOM 23 CG ARG A 2 5.175 -15.943 5.396 1.00 0.00 C ATOM 24 CD ARG A 2 5.672 -15.492 6.762 1.00 0.00 C ATOM 25 NE ARG A 2 6.498 -16.511 7.408 1.00 0.00 N ATOM 26 CZ ARG A 2 6.040 -17.692 7.815 1.00 0.00 C ATOM 27 NH1 ARG A 2 4.752 -17.994 7.690 1.00 0.00 N ATOM 28 NH2 ARG A 2 6.869 -18.571 8.361 1.00 0.00 N ATOM 0 H ARG A 2 2.232 -16.385 4.993 1.00 0.00 H new ATOM 0 HA ARG A 2 3.357 -14.165 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.985 -15.237 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.880 -13.981 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.615 -16.872 5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.026 -16.155 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.249 -14.573 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.819 -15.259 7.399 1.00 0.00 H new ATOM 0 HE ARG A 2 7.486 -16.304 7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.107 -17.318 7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.408 -18.901 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.857 -18.342 8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.519 -19.477 8.673 1.00 0.00 H new ATOM 42 N VAL A 3 2.325 -12.234 5.369 1.00 0.00 N ATOM 43 CA VAL A 3 1.595 -11.119 4.779 1.00 0.00 C ATOM 44 C VAL A 3 2.473 -9.873 4.694 1.00 0.00 C ATOM 45 O VAL A 3 3.178 -9.533 5.641 1.00 0.00 O ATOM 46 CB VAL A 3 0.324 -10.787 5.586 1.00 0.00 C ATOM 47 CG1 VAL A 3 0.679 -10.301 6.986 1.00 0.00 C ATOM 48 CG2 VAL A 3 -0.520 -9.755 4.852 1.00 0.00 C ATOM 0 H VAL A 3 2.886 -11.990 6.185 1.00 0.00 H new ATOM 0 HA VAL A 3 1.305 -11.426 3.774 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.263 -11.700 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.235 -10.073 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.234 -11.078 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.293 -9.403 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.413 -9.533 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.060 -8.842 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.812 -10.150 3.879 1.00 0.00 H new ATOM 58 N GLY A 4 2.412 -9.191 3.553 1.00 0.00 N ATOM 59 CA GLY A 4 3.198 -7.983 3.371 1.00 0.00 C ATOM 60 C GLY A 4 2.564 -6.782 4.045 1.00 0.00 C ATOM 61 O GLY A 4 1.358 -6.568 3.930 1.00 0.00 O ATOM 0 H GLY A 4 1.834 -9.452 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.199 -8.138 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.311 -7.782 2.306 1.00 0.00 H new ATOM 65 N ALA A 5 3.372 -6.000 4.754 1.00 0.00 N ATOM 66 CA ALA A 5 2.867 -4.819 5.449 1.00 0.00 C ATOM 67 C ALA A 5 3.579 -3.555 4.987 1.00 0.00 C ATOM 68 O ALA A 5 4.804 -3.524 4.878 1.00 0.00 O ATOM 69 CB ALA A 5 3.015 -4.991 6.953 1.00 0.00 C ATOM 0 H ALA A 5 4.373 -6.160 4.863 1.00 0.00 H new ATOM 0 HA ALA A 5 1.810 -4.713 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.635 -4.104 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.449 -5.864 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.067 -5.128 7.202 1.00 0.00 H new ATOM 75 N LEU A 6 2.799 -2.511 4.717 1.00 0.00 N ATOM 76 CA LEU A 6 3.356 -1.241 4.263 1.00 0.00 C ATOM 77 C LEU A 6 2.878 -0.086 5.139 1.00 0.00 C ATOM 78 O LEU A 6 1.713 -0.030 5.533 1.00 0.00 O ATOM 79 CB LEU A 6 2.971 -0.982 2.806 1.00 0.00 C ATOM 80 CG LEU A 6 3.516 -2.000 1.800 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.020 -1.678 0.398 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.039 -2.028 1.839 1.00 0.00 C ATOM 0 H LEU A 6 1.783 -2.520 4.805 1.00 0.00 H new ATOM 0 HA LEU A 6 4.441 -1.305 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.884 -0.966 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.324 0.010 2.524 1.00 0.00 H new ATOM 0 HG LEU A 6 3.150 -2.989 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.416 -2.411 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.931 -1.711 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.357 -0.682 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.408 -2.757 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.428 -1.041 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.372 -2.306 2.839 1.00 0.00 H new ATOM 94 N ASP A 7 3.789 0.834 5.436 1.00 0.00 N ATOM 95 CA ASP A 7 3.472 1.995 6.261 1.00 0.00 C ATOM 96 C ASP A 7 4.232 3.220 5.765 1.00 0.00 C ATOM 97 O ASP A 7 5.400 3.124 5.396 1.00 0.00 O ATOM 98 CB ASP A 7 3.816 1.722 7.727 1.00 0.00 C ATOM 99 CG ASP A 7 5.296 1.479 7.943 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.096 2.391 7.650 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.654 0.375 8.405 1.00 0.00 O ATOM 0 H ASP A 7 4.757 0.798 5.116 1.00 0.00 H new ATOM 0 HA ASP A 7 2.402 2.189 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.498 2.569 8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.255 0.854 8.072 1.00 0.00 H new ATOM 106 N VAL A 8 3.562 4.369 5.753 1.00 0.00 N ATOM 107 CA VAL A 8 4.184 5.605 5.291 1.00 0.00 C ATOM 108 C VAL A 8 4.500 6.543 6.454 1.00 0.00 C ATOM 109 O VAL A 8 3.634 6.845 7.275 1.00 0.00 O ATOM 110 CB VAL A 8 3.280 6.340 4.281 1.00 0.00 C ATOM 111 CG1 VAL A 8 3.966 7.594 3.757 1.00 0.00 C ATOM 112 CG2 VAL A 8 2.899 5.415 3.136 1.00 0.00 C ATOM 0 H VAL A 8 2.593 4.469 6.056 1.00 0.00 H new ATOM 0 HA VAL A 8 5.116 5.323 4.801 1.00 0.00 H new ATOM 0 HB VAL A 8 2.367 6.643 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.311 8.097 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.182 8.265 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.897 7.319 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.261 5.950 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.801 5.079 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.362 4.552 3.529 1.00 0.00 H new ATOM 122 N GLY A 9 5.745 7.006 6.510 1.00 0.00 N ATOM 123 CA GLY A 9 6.158 7.911 7.567 1.00 0.00 C ATOM 124 C GLY A 9 6.457 9.304 7.045 1.00 0.00 C ATOM 125 O GLY A 9 5.702 9.845 6.237 1.00 0.00 O ATOM 0 H GLY A 9 6.477 6.770 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.373 7.968 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.045 7.511 8.059 1.00 0.00 H new ATOM 129 N GLU A 10 7.563 9.884 7.503 1.00 0.00 N ATOM 130 CA GLU A 10 7.959 11.220 7.068 1.00 0.00 C ATOM 131 C GLU A 10 8.287 11.228 5.581 1.00 0.00 C ATOM 132 O GLU A 10 7.867 12.123 4.846 1.00 0.00 O ATOM 133 CB GLU A 10 9.166 11.706 7.874 1.00 0.00 C ATOM 134 CG GLU A 10 9.635 13.100 7.486 1.00 0.00 C ATOM 135 CD GLU A 10 10.832 13.557 8.296 1.00 0.00 C ATOM 136 OE1 GLU A 10 10.714 13.639 9.537 1.00 0.00 O ATOM 137 OE2 GLU A 10 11.888 13.833 7.690 1.00 0.00 O ATOM 0 H GLU A 10 8.199 9.452 8.173 1.00 0.00 H new ATOM 0 HA GLU A 10 7.122 11.897 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.911 11.699 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.989 11.004 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.892 13.112 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.816 13.806 7.623 1.00 0.00 H new ATOM 144 N ALA A 11 9.030 10.221 5.143 1.00 0.00 N ATOM 145 CA ALA A 11 9.410 10.102 3.741 1.00 0.00 C ATOM 146 C ALA A 11 10.003 8.726 3.458 1.00 0.00 C ATOM 147 O ALA A 11 10.886 8.577 2.611 1.00 0.00 O ATOM 148 CB ALA A 11 10.399 11.196 3.367 1.00 0.00 C ATOM 0 H ALA A 11 9.383 9.473 5.740 1.00 0.00 H new ATOM 0 HA ALA A 11 8.515 10.219 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.674 11.095 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.941 12.172 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.292 11.107 3.986 1.00 0.00 H new ATOM 154 N ARG A 12 9.503 7.725 4.173 1.00 0.00 N ATOM 155 CA ARG A 12 9.975 6.355 4.014 1.00 0.00 C ATOM 156 C ARG A 12 8.842 5.367 4.271 1.00 0.00 C ATOM 157 O ARG A 12 7.995 5.589 5.135 1.00 0.00 O ATOM 158 CB ARG A 12 11.132 6.077 4.976 1.00 0.00 C ATOM 159 CG ARG A 12 12.342 6.968 4.755 1.00 0.00 C ATOM 160 CD ARG A 12 12.993 6.703 3.405 1.00 0.00 C ATOM 161 NE ARG A 12 14.157 7.558 3.181 1.00 0.00 N ATOM 162 CZ ARG A 12 15.283 7.482 3.890 1.00 0.00 C ATOM 163 NH1 ARG A 12 15.421 6.560 4.835 1.00 0.00 N ATOM 164 NH2 ARG A 12 16.280 8.321 3.640 1.00 0.00 N ATOM 0 H ARG A 12 8.768 7.837 4.871 1.00 0.00 H new ATOM 0 HA ARG A 12 10.326 6.230 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.780 6.206 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.436 5.035 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.041 8.014 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.069 6.799 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.295 5.657 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.264 6.869 2.612 1.00 0.00 H new ATOM 0 HE ARG A 12 14.104 8.254 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.663 5.904 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.285 6.507 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.184 9.023 2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.142 8.264 4.182 1.00 0.00 H new ATOM 178 N ILE A 13 8.840 4.273 3.521 1.00 0.00 N ATOM 179 CA ILE A 13 7.819 3.247 3.676 1.00 0.00 C ATOM 180 C ILE A 13 8.348 2.086 4.513 1.00 0.00 C ATOM 181 O ILE A 13 9.386 1.508 4.194 1.00 0.00 O ATOM 182 CB ILE A 13 7.345 2.714 2.307 1.00 0.00 C ATOM 183 CG1 ILE A 13 6.841 3.864 1.436 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.254 1.667 2.492 1.00 0.00 C ATOM 185 CD1 ILE A 13 6.364 3.424 0.069 1.00 0.00 C ATOM 0 H ILE A 13 9.534 4.074 2.800 1.00 0.00 H new ATOM 0 HA ILE A 13 6.971 3.706 4.185 1.00 0.00 H new ATOM 0 HB ILE A 13 8.191 2.244 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.024 4.368 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.641 4.595 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.931 1.302 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.643 0.836 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.406 2.113 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.021 4.292 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.184 2.946 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.543 2.716 0.181 1.00 0.00 H new ATOM 197 N GLY A 14 7.635 1.749 5.583 1.00 0.00 N ATOM 198 CA GLY A 14 8.064 0.658 6.436 1.00 0.00 C ATOM 199 C GLY A 14 7.692 -0.700 5.877 1.00 0.00 C ATOM 200 O GLY A 14 6.536 -0.936 5.520 1.00 0.00 O ATOM 0 H GLY A 14 6.772 2.210 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.145 0.709 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.616 0.776 7.423 1.00 0.00 H new ATOM 204 N LEU A 15 8.670 -1.599 5.807 1.00 0.00 N ATOM 205 CA LEU A 15 8.435 -2.943 5.295 1.00 0.00 C ATOM 206 C LEU A 15 8.392 -3.959 6.431 1.00 0.00 C ATOM 207 O LEU A 15 9.308 -4.033 7.251 1.00 0.00 O ATOM 208 CB LEU A 15 9.520 -3.336 4.290 1.00 0.00 C ATOM 209 CG LEU A 15 9.544 -2.506 3.006 1.00 0.00 C ATOM 210 CD1 LEU A 15 10.661 -2.979 2.090 1.00 0.00 C ATOM 211 CD2 LEU A 15 8.200 -2.587 2.298 1.00 0.00 C ATOM 0 H LEU A 15 9.631 -1.420 6.098 1.00 0.00 H new ATOM 0 HA LEU A 15 7.469 -2.942 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.492 -3.253 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.385 -4.385 4.024 1.00 0.00 H new ATOM 0 HG LEU A 15 9.733 -1.465 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.665 -2.378 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.619 -2.872 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.502 -4.026 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.233 -1.991 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.984 -3.625 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.419 -2.203 2.954 1.00 0.00 H new ATOM 223 N ALA A 16 7.319 -4.741 6.469 1.00 0.00 N ATOM 224 CA ALA A 16 7.142 -5.755 7.500 1.00 0.00 C ATOM 225 C ALA A 16 6.386 -6.956 6.946 1.00 0.00 C ATOM 226 O ALA A 16 5.555 -6.815 6.047 1.00 0.00 O ATOM 227 CB ALA A 16 6.411 -5.169 8.699 1.00 0.00 C ATOM 0 H ALA A 16 6.556 -4.691 5.794 1.00 0.00 H new ATOM 0 HA ALA A 16 8.126 -6.092 7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.286 -5.939 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.990 -4.342 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.432 -4.806 8.386 1.00 0.00 H new ATOM 233 N VAL A 17 6.680 -8.138 7.475 1.00 0.00 N ATOM 234 CA VAL A 17 6.025 -9.355 7.013 1.00 0.00 C ATOM 235 C VAL A 17 5.938 -10.402 8.118 1.00 0.00 C ATOM 236 O VAL A 17 6.914 -10.664 8.822 1.00 0.00 O ATOM 237 CB VAL A 17 6.769 -9.960 5.805 1.00 0.00 C ATOM 238 CG1 VAL A 17 6.053 -11.203 5.296 1.00 0.00 C ATOM 239 CG2 VAL A 17 6.916 -8.931 4.697 1.00 0.00 C ATOM 0 H VAL A 17 7.363 -8.279 8.219 1.00 0.00 H new ATOM 0 HA VAL A 17 5.015 -9.074 6.715 1.00 0.00 H new ATOM 0 HB VAL A 17 7.766 -10.255 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.596 -11.612 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.009 -11.948 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.041 -10.940 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.443 -9.377 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.929 -8.601 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.481 -8.076 5.067 1.00 0.00 H new ATOM 249 N GLY A 18 4.759 -10.999 8.258 1.00 0.00 N ATOM 250 CA GLY A 18 4.554 -12.018 9.271 1.00 0.00 C ATOM 251 C GLY A 18 3.139 -12.566 9.261 1.00 0.00 C ATOM 252 O GLY A 18 2.489 -12.606 8.217 1.00 0.00 O ATOM 0 H GLY A 18 3.940 -10.795 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.258 -12.834 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.772 -11.599 10.253 1.00 0.00 H new ATOM 256 N GLU A 19 2.664 -12.986 10.428 1.00 0.00 N ATOM 257 CA GLU A 19 1.317 -13.532 10.558 1.00 0.00 C ATOM 258 C GLU A 19 0.348 -12.476 11.077 1.00 0.00 C ATOM 259 O GLU A 19 0.766 -11.435 11.587 1.00 0.00 O ATOM 260 CB GLU A 19 1.320 -14.744 11.491 1.00 0.00 C ATOM 261 CG GLU A 19 1.798 -14.426 12.898 1.00 0.00 C ATOM 262 CD GLU A 19 1.788 -15.641 13.805 1.00 0.00 C ATOM 263 OE1 GLU A 19 0.701 -16.225 14.003 1.00 0.00 O ATOM 264 OE2 GLU A 19 2.866 -16.009 14.317 1.00 0.00 O ATOM 0 H GLU A 19 3.193 -12.959 11.300 1.00 0.00 H new ATOM 0 HA GLU A 19 0.985 -13.847 9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.312 -15.155 11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.958 -15.518 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.809 -14.020 12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.163 -13.651 13.327 1.00 0.00 H new ATOM 271 N GLU A 20 -0.948 -12.747 10.946 1.00 0.00 N ATOM 272 CA GLU A 20 -1.977 -11.817 11.407 1.00 0.00 C ATOM 273 C GLU A 20 -1.691 -11.351 12.831 1.00 0.00 C ATOM 274 O GLU A 20 -1.777 -10.163 13.136 1.00 0.00 O ATOM 275 CB GLU A 20 -3.354 -12.477 11.341 1.00 0.00 C ATOM 276 CG GLU A 20 -3.753 -12.923 9.942 1.00 0.00 C ATOM 277 CD GLU A 20 -5.123 -13.572 9.903 1.00 0.00 C ATOM 278 OE1 GLU A 20 -5.763 -13.677 10.971 1.00 0.00 O ATOM 279 OE2 GLU A 20 -5.555 -13.978 8.805 1.00 0.00 O ATOM 0 H GLU A 20 -1.311 -13.602 10.525 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.966 -10.947 10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.365 -13.341 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.101 -11.777 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.744 -12.062 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.011 -13.627 9.564 1.00 0.00 H new ATOM 286 N GLY A 21 -1.343 -12.297 13.698 1.00 0.00 N ATOM 287 CA GLY A 21 -1.039 -11.969 15.080 1.00 0.00 C ATOM 288 C GLY A 21 0.332 -11.334 15.239 1.00 0.00 C ATOM 289 O GLY A 21 1.157 -11.815 16.013 1.00 0.00 O ATOM 0 H GLY A 21 -1.266 -13.288 13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.798 -11.288 15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.089 -12.875 15.684 1.00 0.00 H new ATOM 293 N VAL A 22 0.576 -10.255 14.501 1.00 0.00 N ATOM 294 CA VAL A 22 1.857 -9.563 14.560 1.00 0.00 C ATOM 295 C VAL A 22 2.142 -9.056 15.974 1.00 0.00 C ATOM 296 O VAL A 22 1.267 -8.480 16.622 1.00 0.00 O ATOM 297 CB VAL A 22 1.891 -8.374 13.579 1.00 0.00 C ATOM 298 CG1 VAL A 22 3.263 -7.716 13.570 1.00 0.00 C ATOM 299 CG2 VAL A 22 1.503 -8.827 12.180 1.00 0.00 C ATOM 0 H VAL A 22 -0.097 -9.842 13.856 1.00 0.00 H new ATOM 0 HA VAL A 22 2.625 -10.282 14.276 1.00 0.00 H new ATOM 0 HB VAL A 22 1.165 -7.634 13.916 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.261 -6.880 12.870 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.498 -7.352 14.570 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.014 -8.444 13.263 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.532 -7.975 11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.203 -9.589 11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.495 -9.242 12.198 1.00 0.00 H new ATOM 309 N PRO A 23 3.374 -9.262 16.475 1.00 0.00 N ATOM 310 CA PRO A 23 3.767 -8.819 17.819 1.00 0.00 C ATOM 311 C PRO A 23 3.670 -7.307 17.980 1.00 0.00 C ATOM 312 O PRO A 23 3.223 -6.810 19.015 1.00 0.00 O ATOM 313 CB PRO A 23 5.224 -9.280 17.946 1.00 0.00 C ATOM 314 CG PRO A 23 5.689 -9.488 16.545 1.00 0.00 C ATOM 315 CD PRO A 23 4.482 -9.936 15.776 1.00 0.00 C ATOM 0 HA PRO A 23 3.113 -9.231 18.587 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.831 -8.532 18.456 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.297 -10.200 18.526 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.099 -8.568 16.128 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.480 -10.237 16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.538 -9.640 14.729 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.371 -11.020 15.795 1.00 0.00 H new ATOM 323 N LEU A 24 4.092 -6.578 16.953 1.00 0.00 N ATOM 324 CA LEU A 24 4.054 -5.121 16.980 1.00 0.00 C ATOM 325 C LEU A 24 4.330 -4.541 15.597 1.00 0.00 C ATOM 326 O LEU A 24 3.675 -3.590 15.170 1.00 0.00 O ATOM 327 CB LEU A 24 5.076 -4.585 17.985 1.00 0.00 C ATOM 328 CG LEU A 24 5.121 -3.060 18.112 1.00 0.00 C ATOM 329 CD1 LEU A 24 3.772 -2.524 18.563 1.00 0.00 C ATOM 330 CD2 LEU A 24 6.216 -2.641 19.082 1.00 0.00 C ATOM 0 H LEU A 24 4.465 -6.973 16.090 1.00 0.00 H new ATOM 0 HA LEU A 24 3.054 -4.814 17.287 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.857 -5.010 18.965 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.066 -4.940 17.698 1.00 0.00 H new ATOM 0 HG LEU A 24 5.348 -2.637 17.133 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.822 -1.438 18.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.010 -2.796 17.833 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.516 -2.953 19.532 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.235 -1.554 19.161 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.018 -3.073 20.063 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.180 -2.995 18.717 1.00 0.00 H new ATOM 342 N ALA A 25 5.305 -5.118 14.900 1.00 0.00 N ATOM 343 CA ALA A 25 5.666 -4.657 13.565 1.00 0.00 C ATOM 344 C ALA A 25 6.739 -5.544 12.946 1.00 0.00 C ATOM 345 O ALA A 25 6.674 -5.885 11.766 1.00 0.00 O ATOM 346 CB ALA A 25 6.140 -3.212 13.615 1.00 0.00 C ATOM 0 H ALA A 25 5.858 -5.905 15.238 1.00 0.00 H new ATOM 0 HA ALA A 25 4.777 -4.716 12.937 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.406 -2.881 12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.342 -2.581 14.005 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.012 -3.137 14.265 1.00 0.00 H new ATOM 352 N SER A 26 7.727 -5.916 13.754 1.00 0.00 N ATOM 353 CA SER A 26 8.820 -6.766 13.292 1.00 0.00 C ATOM 354 C SER A 26 9.631 -6.069 12.204 1.00 0.00 C ATOM 355 O SER A 26 9.084 -5.601 11.206 1.00 0.00 O ATOM 356 CB SER A 26 8.276 -8.096 12.767 1.00 0.00 C ATOM 357 OG SER A 26 9.326 -8.935 12.318 1.00 0.00 O ATOM 0 H SER A 26 7.793 -5.642 14.734 1.00 0.00 H new ATOM 0 HA SER A 26 9.477 -6.961 14.140 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.716 -8.600 13.555 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.580 -7.910 11.949 1.00 0.00 H new ATOM 0 HG SER A 26 8.952 -9.779 11.989 1.00 0.00 H new ATOM 363 N GLY A 27 10.944 -6.007 12.407 1.00 0.00 N ATOM 364 CA GLY A 27 11.821 -5.371 11.441 1.00 0.00 C ATOM 365 C GLY A 27 12.063 -6.231 10.216 1.00 0.00 C ATOM 366 O GLY A 27 12.108 -7.458 10.311 1.00 0.00 O ATOM 0 H GLY A 27 11.417 -6.388 13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.386 -4.420 11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.776 -5.146 11.916 1.00 0.00 H new ATOM 370 N ARG A 28 12.227 -5.589 9.064 1.00 0.00 N ATOM 371 CA ARG A 28 12.473 -6.306 7.818 1.00 0.00 C ATOM 372 C ARG A 28 13.144 -5.398 6.793 1.00 0.00 C ATOM 373 O ARG A 28 14.136 -5.780 6.171 1.00 0.00 O ATOM 374 CB ARG A 28 11.164 -6.865 7.253 1.00 0.00 C ATOM 375 CG ARG A 28 11.343 -7.635 5.955 1.00 0.00 C ATOM 376 CD ARG A 28 12.364 -8.754 6.108 1.00 0.00 C ATOM 377 NE ARG A 28 11.956 -9.741 7.104 1.00 0.00 N ATOM 378 CZ ARG A 28 10.922 -10.567 6.951 1.00 0.00 C ATOM 379 NH1 ARG A 28 10.214 -10.555 5.827 1.00 0.00 N ATOM 380 NH2 ARG A 28 10.604 -11.414 7.918 1.00 0.00 N ATOM 0 H ARG A 28 12.194 -4.574 8.967 1.00 0.00 H new ATOM 0 HA ARG A 28 13.145 -7.137 8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.708 -7.521 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.469 -6.042 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.386 -8.054 5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.664 -6.953 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.506 -9.248 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.326 -8.329 6.393 1.00 0.00 H new ATOM 0 HE ARG A 28 12.495 -9.802 7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.461 -9.911 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.423 -11.190 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.151 -11.434 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.813 -12.047 7.802 1.00 0.00 H new ATOM 394 N GLY A 29 12.608 -4.192 6.622 1.00 0.00 N ATOM 395 CA GLY A 29 13.188 -3.258 5.674 1.00 0.00 C ATOM 396 C GLY A 29 12.424 -1.950 5.593 1.00 0.00 C ATOM 397 O GLY A 29 11.799 -1.527 6.565 1.00 0.00 O ATOM 0 H GLY A 29 11.787 -3.847 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.220 -3.053 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.215 -3.719 4.687 1.00 0.00 H new ATOM 401 N TYR A 30 12.477 -1.309 4.428 1.00 0.00 N ATOM 402 CA TYR A 30 11.788 -0.041 4.217 1.00 0.00 C ATOM 403 C TYR A 30 12.018 0.476 2.798 1.00 0.00 C ATOM 404 O TYR A 30 13.116 0.355 2.253 1.00 0.00 O ATOM 405 CB TYR A 30 12.255 1.001 5.241 1.00 0.00 C ATOM 406 CG TYR A 30 13.743 1.271 5.210 1.00 0.00 C ATOM 407 CD1 TYR A 30 14.338 1.900 4.122 1.00 0.00 C ATOM 408 CD2 TYR A 30 14.554 0.903 6.277 1.00 0.00 C ATOM 409 CE1 TYR A 30 15.697 2.152 4.098 1.00 0.00 C ATOM 410 CE2 TYR A 30 15.914 1.151 6.259 1.00 0.00 C ATOM 411 CZ TYR A 30 16.479 1.774 5.169 1.00 0.00 C ATOM 412 OH TYR A 30 17.833 2.024 5.148 1.00 0.00 O ATOM 0 H TYR A 30 12.991 -1.649 3.615 1.00 0.00 H new ATOM 0 HA TYR A 30 10.720 -0.212 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 30 11.723 1.935 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.978 0.663 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 30 13.728 2.197 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.114 0.415 7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.144 2.642 3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.530 0.857 7.096 1.00 0.00 H new ATOM 0 HH TYR A 30 18.239 1.697 5.978 1.00 0.00 H new ATOM 422 N LEU A 31 10.977 1.050 2.202 1.00 0.00 N ATOM 423 CA LEU A 31 11.069 1.586 0.847 1.00 0.00 C ATOM 424 C LEU A 31 10.890 3.102 0.858 1.00 0.00 C ATOM 425 O LEU A 31 9.882 3.610 1.341 1.00 0.00 O ATOM 426 CB LEU A 31 10.007 0.945 -0.052 1.00 0.00 C ATOM 427 CG LEU A 31 10.014 -0.583 -0.076 1.00 0.00 C ATOM 428 CD1 LEU A 31 8.884 -1.109 -0.948 1.00 0.00 C ATOM 429 CD2 LEU A 31 11.356 -1.102 -0.570 1.00 0.00 C ATOM 0 H LEU A 31 10.060 1.156 2.636 1.00 0.00 H new ATOM 0 HA LEU A 31 12.058 1.351 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.024 1.283 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.147 1.309 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 31 9.859 -0.944 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.905 -2.199 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.928 -0.766 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.008 -0.739 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.343 -2.192 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.541 -0.731 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.147 -0.755 0.095 1.00 0.00 H new ATOM 441 N VAL A 32 11.866 3.817 0.309 1.00 0.00 N ATOM 442 CA VAL A 32 11.799 5.274 0.253 1.00 0.00 C ATOM 443 C VAL A 32 10.665 5.723 -0.661 1.00 0.00 C ATOM 444 O VAL A 32 10.368 5.062 -1.653 1.00 0.00 O ATOM 445 CB VAL A 32 13.125 5.877 -0.252 1.00 0.00 C ATOM 446 CG1 VAL A 32 13.066 7.398 -0.235 1.00 0.00 C ATOM 447 CG2 VAL A 32 14.293 5.373 0.581 1.00 0.00 C ATOM 0 H VAL A 32 12.709 3.415 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 32 11.614 5.630 1.266 1.00 0.00 H new ATOM 0 HB VAL A 32 13.277 5.556 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.012 7.803 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.256 7.738 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.887 7.744 0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.220 5.810 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.148 5.661 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.349 4.287 0.509 1.00 0.00 H new ATOM 457 N ARG A 33 10.025 6.843 -0.325 1.00 0.00 N ATOM 458 CA ARG A 33 8.919 7.355 -1.133 1.00 0.00 C ATOM 459 C ARG A 33 9.307 7.464 -2.607 1.00 0.00 C ATOM 460 O ARG A 33 10.463 7.731 -2.938 1.00 0.00 O ATOM 461 CB ARG A 33 8.459 8.723 -0.624 1.00 0.00 C ATOM 462 CG ARG A 33 7.734 8.673 0.711 1.00 0.00 C ATOM 463 CD ARG A 33 7.173 10.036 1.084 1.00 0.00 C ATOM 464 NE ARG A 33 6.390 9.992 2.316 1.00 0.00 N ATOM 465 CZ ARG A 33 5.789 11.054 2.848 1.00 0.00 C ATOM 466 NH1 ARG A 33 5.879 12.241 2.261 1.00 0.00 N ATOM 467 NH2 ARG A 33 5.096 10.929 3.972 1.00 0.00 N ATOM 0 H ARG A 33 10.251 7.408 0.493 1.00 0.00 H new ATOM 0 HA ARG A 33 8.098 6.644 -1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.327 9.375 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.801 9.173 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.924 7.945 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.420 8.334 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.993 10.745 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.547 10.404 0.271 1.00 0.00 H new ATOM 0 HE ARG A 33 6.298 9.097 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.411 12.344 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.416 13.051 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.024 10.020 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.635 11.742 4.380 1.00 0.00 H new ATOM 481 N LYS A 34 8.329 7.257 -3.484 1.00 0.00 N ATOM 482 CA LYS A 34 8.558 7.333 -4.923 1.00 0.00 C ATOM 483 C LYS A 34 7.301 7.862 -5.629 1.00 0.00 C ATOM 484 O LYS A 34 6.805 8.931 -5.269 1.00 0.00 O ATOM 485 CB LYS A 34 8.979 5.961 -5.462 1.00 0.00 C ATOM 486 CG LYS A 34 10.117 5.338 -4.669 1.00 0.00 C ATOM 487 CD LYS A 34 10.601 4.038 -5.290 1.00 0.00 C ATOM 488 CE LYS A 34 11.648 3.362 -4.419 1.00 0.00 C ATOM 489 NZ LYS A 34 11.113 3.024 -3.071 1.00 0.00 N ATOM 0 H LYS A 34 7.368 7.035 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 34 9.370 8.031 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.120 5.290 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.282 6.063 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.947 6.043 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.786 5.150 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.756 3.365 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.020 4.238 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.997 2.453 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.511 4.019 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.643 2.219 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.215 3.845 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.107 2.771 -3.150 1.00 0.00 H new ATOM 503 N THR A 35 6.779 7.141 -6.625 1.00 0.00 N ATOM 504 CA THR A 35 5.586 7.606 -7.329 1.00 0.00 C ATOM 505 C THR A 35 4.821 6.486 -8.025 1.00 0.00 C ATOM 506 O THR A 35 5.403 5.636 -8.692 1.00 0.00 O ATOM 507 CB THR A 35 5.924 8.686 -8.370 1.00 0.00 C ATOM 508 OG1 THR A 35 7.059 8.286 -9.150 1.00 0.00 O ATOM 509 CG2 THR A 35 6.196 10.020 -7.693 1.00 0.00 C ATOM 0 H THR A 35 7.155 6.252 -6.955 1.00 0.00 H new ATOM 0 HA THR A 35 4.948 8.025 -6.551 1.00 0.00 H new ATOM 0 HB THR A 35 5.066 8.805 -9.031 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.263 8.981 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.433 10.770 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.312 10.332 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.038 9.916 -7.009 1.00 0.00 H new ATOM 517 N LEU A 36 3.501 6.526 -7.844 1.00 0.00 N ATOM 518 CA LEU A 36 2.549 5.563 -8.413 1.00 0.00 C ATOM 519 C LEU A 36 3.198 4.393 -9.156 1.00 0.00 C ATOM 520 O LEU A 36 3.163 3.262 -8.680 1.00 0.00 O ATOM 521 CB LEU A 36 1.580 6.275 -9.364 1.00 0.00 C ATOM 522 CG LEU A 36 0.663 7.318 -8.719 1.00 0.00 C ATOM 523 CD1 LEU A 36 1.456 8.538 -8.273 1.00 0.00 C ATOM 524 CD2 LEU A 36 -0.444 7.719 -9.682 1.00 0.00 C ATOM 0 H LEU A 36 3.049 7.248 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 36 2.024 5.139 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.161 6.763 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.959 5.523 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 36 0.208 6.872 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.782 9.264 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.209 8.236 -7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.946 8.989 -9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.087 8.461 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.005 8.143 -10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.035 6.841 -9.944 1.00 0.00 H new ATOM 536 N GLU A 37 3.758 4.664 -10.334 1.00 0.00 N ATOM 537 CA GLU A 37 4.371 3.617 -11.152 1.00 0.00 C ATOM 538 C GLU A 37 5.656 3.086 -10.533 1.00 0.00 C ATOM 539 O GLU A 37 5.855 1.875 -10.435 1.00 0.00 O ATOM 540 CB GLU A 37 4.649 4.139 -12.563 1.00 0.00 C ATOM 541 CG GLU A 37 5.588 5.335 -12.600 1.00 0.00 C ATOM 542 CD GLU A 37 5.801 5.862 -14.005 1.00 0.00 C ATOM 543 OE1 GLU A 37 6.295 5.094 -14.859 1.00 0.00 O ATOM 544 OE2 GLU A 37 5.475 7.042 -14.254 1.00 0.00 O ATOM 0 H GLU A 37 3.800 5.597 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 37 3.662 2.791 -11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.077 3.334 -13.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.704 4.416 -13.031 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.183 6.130 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.550 5.051 -12.172 1.00 0.00 H new ATOM 551 N GLU A 38 6.524 3.995 -10.125 1.00 0.00 N ATOM 552 CA GLU A 38 7.795 3.616 -9.519 1.00 0.00 C ATOM 553 C GLU A 38 7.573 2.739 -8.288 1.00 0.00 C ATOM 554 O GLU A 38 8.177 1.675 -8.154 1.00 0.00 O ATOM 555 CB GLU A 38 8.585 4.868 -9.141 1.00 0.00 C ATOM 556 CG GLU A 38 9.866 4.565 -8.391 1.00 0.00 C ATOM 557 CD GLU A 38 10.854 3.766 -9.216 1.00 0.00 C ATOM 558 OE1 GLU A 38 11.269 4.259 -10.288 1.00 0.00 O ATOM 559 OE2 GLU A 38 11.216 2.647 -8.793 1.00 0.00 O ATOM 0 H GLU A 38 6.375 5.001 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 38 8.366 3.039 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.826 5.425 -10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.957 5.514 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.331 5.501 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.628 4.012 -7.482 1.00 0.00 H new ATOM 566 N ASP A 39 6.706 3.194 -7.390 1.00 0.00 N ATOM 567 CA ASP A 39 6.401 2.453 -6.168 1.00 0.00 C ATOM 568 C ASP A 39 6.031 1.005 -6.477 1.00 0.00 C ATOM 569 O ASP A 39 6.468 0.083 -5.788 1.00 0.00 O ATOM 570 CB ASP A 39 5.259 3.131 -5.412 1.00 0.00 C ATOM 571 CG ASP A 39 5.622 4.527 -4.953 1.00 0.00 C ATOM 572 OD1 ASP A 39 6.507 4.654 -4.080 1.00 0.00 O ATOM 573 OD2 ASP A 39 5.031 5.494 -5.475 1.00 0.00 O ATOM 0 H ASP A 39 6.200 4.075 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 39 7.295 2.451 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.380 3.179 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.989 2.525 -4.547 1.00 0.00 H new ATOM 578 N VAL A 40 5.230 0.809 -7.520 1.00 0.00 N ATOM 579 CA VAL A 40 4.812 -0.534 -7.918 1.00 0.00 C ATOM 580 C VAL A 40 6.029 -1.364 -8.281 1.00 0.00 C ATOM 581 O VAL A 40 6.182 -2.504 -7.847 1.00 0.00 O ATOM 582 CB VAL A 40 3.876 -0.511 -9.141 1.00 0.00 C ATOM 583 CG1 VAL A 40 3.080 -1.801 -9.234 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.961 0.693 -9.107 1.00 0.00 C ATOM 0 H VAL A 40 4.858 1.558 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 40 4.277 -0.964 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 40 4.494 -0.430 -10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.426 -1.763 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.764 -2.644 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.478 -1.923 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.312 0.682 -9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.352 0.662 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.559 1.604 -9.110 1.00 0.00 H new ATOM 594 N GLU A 41 6.893 -0.766 -9.089 1.00 0.00 N ATOM 595 CA GLU A 41 8.118 -1.421 -9.540 1.00 0.00 C ATOM 596 C GLU A 41 8.881 -2.045 -8.371 1.00 0.00 C ATOM 597 O GLU A 41 9.274 -3.210 -8.427 1.00 0.00 O ATOM 598 CB GLU A 41 9.004 -0.408 -10.268 1.00 0.00 C ATOM 599 CG GLU A 41 10.314 -0.987 -10.775 1.00 0.00 C ATOM 600 CD GLU A 41 10.108 -2.127 -11.753 1.00 0.00 C ATOM 601 OE1 GLU A 41 9.481 -1.899 -12.808 1.00 0.00 O ATOM 602 OE2 GLU A 41 10.579 -3.248 -11.465 1.00 0.00 O ATOM 0 H GLU A 41 6.769 0.180 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 41 7.844 -2.225 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.450 0.004 -11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.221 0.420 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.892 -0.199 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.902 -1.341 -9.928 1.00 0.00 H new ATOM 609 N ALA A 42 9.089 -1.265 -7.315 1.00 0.00 N ATOM 610 CA ALA A 42 9.804 -1.746 -6.137 1.00 0.00 C ATOM 611 C ALA A 42 8.947 -2.716 -5.327 1.00 0.00 C ATOM 612 O ALA A 42 9.423 -3.759 -4.879 1.00 0.00 O ATOM 613 CB ALA A 42 10.241 -0.574 -5.268 1.00 0.00 C ATOM 0 H ALA A 42 8.773 -0.297 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 42 10.689 -2.283 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.773 -0.948 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.899 0.079 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.364 -0.012 -4.947 1.00 0.00 H new ATOM 619 N LEU A 43 7.684 -2.356 -5.139 1.00 0.00 N ATOM 620 CA LEU A 43 6.751 -3.180 -4.376 1.00 0.00 C ATOM 621 C LEU A 43 6.549 -4.550 -5.013 1.00 0.00 C ATOM 622 O LEU A 43 6.619 -5.572 -4.330 1.00 0.00 O ATOM 623 CB LEU A 43 5.412 -2.455 -4.242 1.00 0.00 C ATOM 624 CG LEU A 43 5.400 -1.314 -3.224 1.00 0.00 C ATOM 625 CD1 LEU A 43 4.247 -0.359 -3.497 1.00 0.00 C ATOM 626 CD2 LEU A 43 5.301 -1.877 -1.813 1.00 0.00 C ATOM 0 H LEU A 43 7.279 -1.495 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 43 7.179 -3.342 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.131 -2.056 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.648 -3.181 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 43 6.331 -0.756 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.258 0.445 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.353 0.063 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.303 -0.900 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.293 -1.058 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.382 -2.454 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.157 -2.523 -1.618 1.00 0.00 H new ATOM 638 N LEU A 44 6.301 -4.577 -6.318 1.00 0.00 N ATOM 639 CA LEU A 44 6.097 -5.841 -7.017 1.00 0.00 C ATOM 640 C LEU A 44 7.302 -6.753 -6.841 1.00 0.00 C ATOM 641 O LEU A 44 7.166 -7.912 -6.457 1.00 0.00 O ATOM 642 CB LEU A 44 5.841 -5.606 -8.507 1.00 0.00 C ATOM 643 CG LEU A 44 4.529 -4.897 -8.839 1.00 0.00 C ATOM 644 CD1 LEU A 44 4.341 -4.811 -10.345 1.00 0.00 C ATOM 645 CD2 LEU A 44 3.357 -5.620 -8.192 1.00 0.00 C ATOM 0 H LEU A 44 6.237 -3.748 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 44 5.221 -6.323 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.665 -5.019 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.854 -6.569 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 44 4.569 -3.884 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.402 -4.303 -10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.168 -4.252 -10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.318 -5.816 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.430 -5.103 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.311 -6.644 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.490 -5.632 -7.110 1.00 0.00 H new ATOM 657 N ASP A 45 8.487 -6.215 -7.115 1.00 0.00 N ATOM 658 CA ASP A 45 9.726 -6.974 -6.985 1.00 0.00 C ATOM 659 C ASP A 45 9.752 -7.757 -5.675 1.00 0.00 C ATOM 660 O ASP A 45 10.195 -8.905 -5.633 1.00 0.00 O ATOM 661 CB ASP A 45 10.929 -6.032 -7.054 1.00 0.00 C ATOM 662 CG ASP A 45 12.251 -6.768 -6.961 1.00 0.00 C ATOM 663 OD1 ASP A 45 12.523 -7.611 -7.840 1.00 0.00 O ATOM 664 OD2 ASP A 45 13.015 -6.501 -6.009 1.00 0.00 O ATOM 0 H ASP A 45 8.615 -5.253 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 45 9.778 -7.684 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.894 -5.472 -7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.864 -5.305 -6.244 1.00 0.00 H new ATOM 669 N PHE A 46 9.274 -7.127 -4.607 1.00 0.00 N ATOM 670 CA PHE A 46 9.240 -7.763 -3.297 1.00 0.00 C ATOM 671 C PHE A 46 8.087 -8.758 -3.189 1.00 0.00 C ATOM 672 O PHE A 46 8.259 -9.868 -2.691 1.00 0.00 O ATOM 673 CB PHE A 46 9.120 -6.704 -2.201 1.00 0.00 C ATOM 674 CG PHE A 46 9.090 -7.276 -0.810 1.00 0.00 C ATOM 675 CD1 PHE A 46 9.982 -8.268 -0.435 1.00 0.00 C ATOM 676 CD2 PHE A 46 8.169 -6.821 0.120 1.00 0.00 C ATOM 677 CE1 PHE A 46 9.957 -8.795 0.842 1.00 0.00 C ATOM 678 CE2 PHE A 46 8.139 -7.345 1.399 1.00 0.00 C ATOM 679 CZ PHE A 46 9.034 -8.333 1.760 1.00 0.00 C ATOM 0 H PHE A 46 8.905 -6.176 -4.624 1.00 0.00 H new ATOM 0 HA PHE A 46 10.172 -8.313 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.959 -6.013 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 46 8.212 -6.124 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.705 -8.633 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.467 -6.049 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.658 -9.567 1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.416 -6.982 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.012 -8.744 2.759 1.00 0.00 H new ATOM 689 N VAL A 47 6.908 -8.347 -3.645 1.00 0.00 N ATOM 690 CA VAL A 47 5.719 -9.194 -3.580 1.00 0.00 C ATOM 691 C VAL A 47 5.917 -10.534 -4.293 1.00 0.00 C ATOM 692 O VAL A 47 5.637 -11.589 -3.726 1.00 0.00 O ATOM 693 CB VAL A 47 4.493 -8.466 -4.175 1.00 0.00 C ATOM 694 CG1 VAL A 47 3.251 -9.346 -4.117 1.00 0.00 C ATOM 695 CG2 VAL A 47 4.253 -7.156 -3.440 1.00 0.00 C ATOM 0 H VAL A 47 6.749 -7.431 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 47 5.543 -9.401 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 47 4.701 -8.249 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.404 -8.808 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.425 -10.259 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.035 -9.602 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.387 -6.652 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.070 -7.359 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.130 -6.517 -3.540 1.00 0.00 H new ATOM 705 N ARG A 48 6.387 -10.494 -5.538 1.00 0.00 N ATOM 706 CA ARG A 48 6.598 -11.725 -6.308 1.00 0.00 C ATOM 707 C ARG A 48 7.785 -12.535 -5.791 1.00 0.00 C ATOM 708 O ARG A 48 7.627 -13.674 -5.354 1.00 0.00 O ATOM 709 CB ARG A 48 6.793 -11.432 -7.804 1.00 0.00 C ATOM 710 CG ARG A 48 7.358 -10.057 -8.120 1.00 0.00 C ATOM 711 CD ARG A 48 7.700 -9.923 -9.595 1.00 0.00 C ATOM 712 NE ARG A 48 8.690 -10.909 -10.020 1.00 0.00 N ATOM 713 CZ ARG A 48 9.158 -11.001 -11.262 1.00 0.00 C ATOM 714 NH1 ARG A 48 8.729 -10.171 -12.205 1.00 0.00 N ATOM 715 NH2 ARG A 48 10.058 -11.927 -11.564 1.00 0.00 N ATOM 0 H ARG A 48 6.627 -9.635 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 48 5.693 -12.319 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.458 -12.187 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.832 -11.538 -8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.633 -9.292 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.252 -9.883 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.794 -10.040 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.081 -8.920 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 48 9.043 -11.566 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.036 -9.457 -11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.092 -10.247 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.391 -12.568 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.417 -11.998 -12.516 1.00 0.00 H new ATOM 729 N ARG A 49 8.972 -11.950 -5.866 1.00 0.00 N ATOM 730 CA ARG A 49 10.193 -12.627 -5.426 1.00 0.00 C ATOM 731 C ARG A 49 10.057 -13.191 -4.012 1.00 0.00 C ATOM 732 O ARG A 49 10.381 -14.353 -3.768 1.00 0.00 O ATOM 733 CB ARG A 49 11.386 -11.674 -5.496 1.00 0.00 C ATOM 734 CG ARG A 49 11.729 -11.236 -6.911 1.00 0.00 C ATOM 735 CD ARG A 49 12.971 -10.360 -6.938 1.00 0.00 C ATOM 736 NE ARG A 49 13.354 -9.994 -8.301 1.00 0.00 N ATOM 737 CZ ARG A 49 13.782 -10.863 -9.212 1.00 0.00 C ATOM 738 NH1 ARG A 49 13.932 -12.145 -8.901 1.00 0.00 N ATOM 739 NH2 ARG A 49 14.075 -10.448 -10.437 1.00 0.00 N ATOM 0 H ARG A 49 9.120 -11.008 -6.227 1.00 0.00 H new ATOM 0 HA ARG A 49 10.360 -13.465 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.172 -10.792 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.256 -12.160 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.889 -12.115 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.888 -10.690 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.789 -9.456 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.796 -10.886 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 49 13.289 -9.012 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.718 -12.469 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.261 -12.806 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.972 -9.463 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.403 -11.114 -11.136 1.00 0.00 H new ATOM 753 N GLU A 50 9.579 -12.371 -3.083 1.00 0.00 N ATOM 754 CA GLU A 50 9.410 -12.809 -1.699 1.00 0.00 C ATOM 755 C GLU A 50 8.275 -13.825 -1.575 1.00 0.00 C ATOM 756 O GLU A 50 8.139 -14.489 -0.547 1.00 0.00 O ATOM 757 CB GLU A 50 9.137 -11.615 -0.784 1.00 0.00 C ATOM 758 CG GLU A 50 9.069 -11.981 0.689 1.00 0.00 C ATOM 759 CD GLU A 50 10.359 -12.596 1.197 1.00 0.00 C ATOM 760 OE1 GLU A 50 11.406 -11.919 1.127 1.00 0.00 O ATOM 761 OE2 GLU A 50 10.321 -13.753 1.664 1.00 0.00 O ATOM 0 H GLU A 50 9.303 -11.405 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 50 10.339 -13.289 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.920 -10.870 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.196 -11.150 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.842 -11.088 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.249 -12.682 0.848 1.00 0.00 H new ATOM 768 N GLY A 51 7.463 -13.943 -2.622 1.00 0.00 N ATOM 769 CA GLY A 51 6.356 -14.882 -2.599 1.00 0.00 C ATOM 770 C GLY A 51 5.377 -14.594 -1.479 1.00 0.00 C ATOM 771 O GLY A 51 4.859 -15.514 -0.845 1.00 0.00 O ATOM 0 H GLY A 51 7.552 -13.406 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.832 -14.845 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.744 -15.894 -2.487 1.00 0.00 H new ATOM 775 N LEU A 52 5.122 -13.313 -1.236 1.00 0.00 N ATOM 776 CA LEU A 52 4.197 -12.906 -0.186 1.00 0.00 C ATOM 777 C LEU A 52 2.755 -13.163 -0.600 1.00 0.00 C ATOM 778 O LEU A 52 1.976 -13.749 0.153 1.00 0.00 O ATOM 779 CB LEU A 52 4.385 -11.424 0.146 1.00 0.00 C ATOM 780 CG LEU A 52 5.782 -11.041 0.632 1.00 0.00 C ATOM 781 CD1 LEU A 52 5.857 -9.551 0.925 1.00 0.00 C ATOM 782 CD2 LEU A 52 6.156 -11.850 1.864 1.00 0.00 C ATOM 0 H LEU A 52 5.543 -12.540 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 52 4.414 -13.501 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.152 -10.836 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.661 -11.145 0.912 1.00 0.00 H new ATOM 0 HG LEU A 52 6.497 -11.269 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.860 -9.298 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.633 -8.990 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.132 -9.295 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.154 -11.565 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.438 -11.654 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.145 -12.912 1.619 1.00 0.00 H new ATOM 794 N GLY A 53 2.404 -12.717 -1.800 1.00 0.00 N ATOM 795 CA GLY A 53 1.054 -12.903 -2.293 1.00 0.00 C ATOM 796 C GLY A 53 0.013 -12.357 -1.335 1.00 0.00 C ATOM 797 O GLY A 53 -1.119 -12.838 -1.297 1.00 0.00 O ATOM 0 H GLY A 53 3.031 -12.230 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.951 -12.409 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.872 -13.965 -2.457 1.00 0.00 H new ATOM 801 N LYS A 54 0.403 -11.344 -0.566 1.00 0.00 N ATOM 802 CA LYS A 54 -0.488 -10.714 0.405 1.00 0.00 C ATOM 803 C LYS A 54 0.075 -9.369 0.848 1.00 0.00 C ATOM 804 O LYS A 54 1.237 -9.279 1.238 1.00 0.00 O ATOM 805 CB LYS A 54 -0.657 -11.602 1.640 1.00 0.00 C ATOM 806 CG LYS A 54 -1.245 -12.973 1.351 1.00 0.00 C ATOM 807 CD LYS A 54 -1.489 -13.755 2.632 1.00 0.00 C ATOM 808 CE LYS A 54 -2.062 -15.134 2.342 1.00 0.00 C ATOM 809 NZ LYS A 54 -3.361 -15.058 1.616 1.00 0.00 N ATOM 0 H LYS A 54 1.339 -10.939 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.455 -10.571 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.315 -11.730 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.298 -11.089 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.183 -12.861 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.568 -13.532 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.553 -13.857 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.176 -13.202 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.348 -15.706 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.202 -15.673 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.830 -15.986 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.970 -14.347 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.190 -14.788 0.626 1.00 0.00 H new ATOM 823 N LEU A 55 -0.752 -8.330 0.803 1.00 0.00 N ATOM 824 CA LEU A 55 -0.310 -7.004 1.217 1.00 0.00 C ATOM 825 C LEU A 55 -1.395 -6.271 1.996 1.00 0.00 C ATOM 826 O LEU A 55 -2.492 -6.027 1.486 1.00 0.00 O ATOM 827 CB LEU A 55 0.104 -6.164 0.002 1.00 0.00 C ATOM 828 CG LEU A 55 1.281 -6.710 -0.817 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.451 -7.064 0.089 1.00 0.00 C ATOM 830 CD2 LEU A 55 0.849 -7.917 -1.639 1.00 0.00 C ATOM 0 H LEU A 55 -1.721 -8.379 0.488 1.00 0.00 H new ATOM 0 HA LEU A 55 0.552 -7.142 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.758 -6.064 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.359 -5.162 0.347 1.00 0.00 H new ATOM 0 HG LEU A 55 1.609 -5.930 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.274 -7.449 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.779 -6.173 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.139 -7.824 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.698 -8.289 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.489 -8.701 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.050 -7.626 -2.321 1.00 0.00 H new ATOM 842 N VAL A 56 -1.073 -5.900 3.230 1.00 0.00 N ATOM 843 CA VAL A 56 -2.007 -5.170 4.073 1.00 0.00 C ATOM 844 C VAL A 56 -1.677 -3.680 4.044 1.00 0.00 C ATOM 845 O VAL A 56 -0.614 -3.255 4.505 1.00 0.00 O ATOM 846 CB VAL A 56 -1.988 -5.681 5.530 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.604 -5.526 6.139 1.00 0.00 C ATOM 848 CG2 VAL A 56 -3.032 -4.956 6.366 1.00 0.00 C ATOM 0 H VAL A 56 -0.172 -6.094 3.667 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.009 -5.335 3.676 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.235 -6.743 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.615 -5.893 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.116 -6.100 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.319 -4.474 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.003 -5.330 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.821 -3.887 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.022 -5.131 5.944 1.00 0.00 H new ATOM 858 N VAL A 57 -2.589 -2.897 3.481 1.00 0.00 N ATOM 859 CA VAL A 57 -2.403 -1.458 3.367 1.00 0.00 C ATOM 860 C VAL A 57 -2.573 -0.759 4.710 1.00 0.00 C ATOM 861 O VAL A 57 -3.214 -1.280 5.623 1.00 0.00 O ATOM 862 CB VAL A 57 -3.384 -0.846 2.348 1.00 0.00 C ATOM 863 CG1 VAL A 57 -3.134 0.646 2.185 1.00 0.00 C ATOM 864 CG2 VAL A 57 -3.277 -1.563 1.010 1.00 0.00 C ATOM 0 H VAL A 57 -3.469 -3.238 3.095 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.382 -1.303 3.019 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.398 -0.977 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.838 1.056 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.269 1.145 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.115 0.808 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.976 -1.118 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.261 -1.467 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.516 -2.618 1.142 1.00 0.00 H new ATOM 874 N GLY A 58 -1.996 0.432 4.816 1.00 0.00 N ATOM 875 CA GLY A 58 -2.089 1.203 6.039 1.00 0.00 C ATOM 876 C GLY A 58 -1.924 2.685 5.779 1.00 0.00 C ATOM 877 O GLY A 58 -0.980 3.100 5.110 1.00 0.00 O ATOM 0 H GLY A 58 -1.462 0.879 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.054 1.021 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.324 0.869 6.739 1.00 0.00 H new ATOM 881 N LEU A 59 -2.847 3.484 6.302 1.00 0.00 N ATOM 882 CA LEU A 59 -2.805 4.929 6.110 1.00 0.00 C ATOM 883 C LEU A 59 -3.589 5.648 7.206 1.00 0.00 C ATOM 884 O LEU A 59 -4.601 5.142 7.686 1.00 0.00 O ATOM 885 CB LEU A 59 -3.385 5.303 4.743 1.00 0.00 C ATOM 886 CG LEU A 59 -2.652 4.719 3.531 1.00 0.00 C ATOM 887 CD1 LEU A 59 -3.386 5.071 2.247 1.00 0.00 C ATOM 888 CD2 LEU A 59 -1.216 5.225 3.478 1.00 0.00 C ATOM 0 H LEU A 59 -3.634 3.156 6.862 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.762 5.242 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.425 4.977 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.388 6.389 4.654 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.631 3.634 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.852 4.649 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.396 4.662 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.437 6.155 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.712 4.799 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.216 6.312 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.691 4.926 4.385 1.00 0.00 H new ATOM 900 N PRO A 60 -3.131 6.845 7.611 1.00 0.00 N ATOM 901 CA PRO A 60 -3.799 7.635 8.651 1.00 0.00 C ATOM 902 C PRO A 60 -5.249 7.952 8.291 1.00 0.00 C ATOM 903 O PRO A 60 -6.083 8.164 9.170 1.00 0.00 O ATOM 904 CB PRO A 60 -2.974 8.924 8.719 1.00 0.00 C ATOM 905 CG PRO A 60 -1.652 8.570 8.129 1.00 0.00 C ATOM 906 CD PRO A 60 -1.933 7.525 7.088 1.00 0.00 C ATOM 0 HA PRO A 60 -3.846 7.098 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.452 9.728 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.867 9.270 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.175 9.444 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.973 8.189 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.117 7.970 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.096 6.836 6.973 1.00 0.00 H new ATOM 914 N LEU A 61 -5.534 7.993 6.992 1.00 0.00 N ATOM 915 CA LEU A 61 -6.876 8.295 6.499 1.00 0.00 C ATOM 916 C LEU A 61 -7.222 9.762 6.759 1.00 0.00 C ATOM 917 O LEU A 61 -6.327 10.595 6.906 1.00 0.00 O ATOM 918 CB LEU A 61 -7.910 7.371 7.157 1.00 0.00 C ATOM 919 CG LEU A 61 -7.634 5.875 7.006 1.00 0.00 C ATOM 920 CD1 LEU A 61 -8.731 5.059 7.671 1.00 0.00 C ATOM 921 CD2 LEU A 61 -7.506 5.505 5.536 1.00 0.00 C ATOM 0 H LEU A 61 -4.848 7.820 6.257 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.897 8.122 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.963 7.609 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.890 7.588 6.733 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.691 5.646 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.517 3.997 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.775 5.305 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.689 5.290 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.310 4.437 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.433 5.749 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.683 6.064 5.090 1.00 0.00 H new ATOM 933 N ARG A 62 -8.519 10.079 6.808 1.00 0.00 N ATOM 934 CA ARG A 62 -8.973 11.450 7.044 1.00 0.00 C ATOM 935 C ARG A 62 -8.167 12.442 6.199 1.00 0.00 C ATOM 936 O ARG A 62 -7.641 12.079 5.146 1.00 0.00 O ATOM 937 CB ARG A 62 -8.869 11.792 8.536 1.00 0.00 C ATOM 938 CG ARG A 62 -7.444 11.801 9.069 1.00 0.00 C ATOM 939 CD ARG A 62 -7.398 12.230 10.526 1.00 0.00 C ATOM 940 NE ARG A 62 -6.033 12.252 11.046 1.00 0.00 N ATOM 941 CZ ARG A 62 -5.720 12.600 12.293 1.00 0.00 C ATOM 942 NH1 ARG A 62 -6.671 12.955 13.148 1.00 0.00 N ATOM 943 NH2 ARG A 62 -4.454 12.593 12.685 1.00 0.00 N ATOM 0 H ARG A 62 -9.273 9.403 6.687 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.018 11.527 6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.316 12.771 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.455 11.071 9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.010 10.806 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.834 12.477 8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.840 13.221 10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.003 11.549 11.124 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.275 11.985 10.417 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.647 12.962 12.851 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.426 13.221 14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.719 12.321 12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.214 12.860 13.640 1.00 0.00 H new ATOM 957 N THR A 63 -8.064 13.689 6.658 1.00 0.00 N ATOM 958 CA THR A 63 -7.313 14.708 5.932 1.00 0.00 C ATOM 959 C THR A 63 -7.787 14.810 4.482 1.00 0.00 C ATOM 960 O THR A 63 -6.982 14.805 3.552 1.00 0.00 O ATOM 961 CB THR A 63 -5.800 14.402 5.955 1.00 0.00 C ATOM 962 OG1 THR A 63 -5.354 14.242 7.307 1.00 0.00 O ATOM 963 CG2 THR A 63 -5.006 15.517 5.289 1.00 0.00 C ATOM 0 H THR A 63 -8.490 14.015 7.526 1.00 0.00 H new ATOM 0 HA THR A 63 -7.491 15.660 6.432 1.00 0.00 H new ATOM 0 HB THR A 63 -5.634 13.478 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.394 14.046 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.944 15.275 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.325 15.621 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.180 16.454 5.818 1.00 0.00 H new ATOM 971 N ASP A 64 -9.100 14.897 4.298 1.00 0.00 N ATOM 972 CA ASP A 64 -9.686 14.994 2.963 1.00 0.00 C ATOM 973 C ASP A 64 -9.528 16.399 2.377 1.00 0.00 C ATOM 974 O ASP A 64 -10.487 16.974 1.859 1.00 0.00 O ATOM 975 CB ASP A 64 -11.167 14.612 3.009 1.00 0.00 C ATOM 976 CG ASP A 64 -11.968 15.513 3.928 1.00 0.00 C ATOM 977 OD1 ASP A 64 -11.652 15.564 5.135 1.00 0.00 O ATOM 978 OD2 ASP A 64 -12.912 16.170 3.440 1.00 0.00 O ATOM 0 H ASP A 64 -9.781 14.902 5.057 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.151 14.299 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.584 14.661 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.263 13.579 3.343 1.00 0.00 H new ATOM 983 N LEU A 65 -8.317 16.943 2.453 1.00 0.00 N ATOM 984 CA LEU A 65 -8.043 18.273 1.922 1.00 0.00 C ATOM 985 C LEU A 65 -7.641 18.198 0.453 1.00 0.00 C ATOM 986 O LEU A 65 -6.908 17.297 0.047 1.00 0.00 O ATOM 987 CB LEU A 65 -6.942 18.959 2.735 1.00 0.00 C ATOM 988 CG LEU A 65 -7.314 19.299 4.181 1.00 0.00 C ATOM 989 CD1 LEU A 65 -7.666 18.038 4.954 1.00 0.00 C ATOM 990 CD2 LEU A 65 -6.176 20.044 4.860 1.00 0.00 C ATOM 0 H LEU A 65 -7.511 16.483 2.877 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.956 18.863 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.064 18.313 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.655 19.879 2.225 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.191 19.947 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.927 18.301 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.514 17.544 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.810 17.364 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.456 20.278 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.282 19.420 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.973 20.968 4.319 1.00 0.00 H new ATOM 1002 N LYS A 66 -8.122 19.151 -0.339 1.00 0.00 N ATOM 1003 CA LYS A 66 -7.810 19.190 -1.764 1.00 0.00 C ATOM 1004 C LYS A 66 -6.301 19.183 -1.994 1.00 0.00 C ATOM 1005 O LYS A 66 -5.805 18.506 -2.893 1.00 0.00 O ATOM 1006 CB LYS A 66 -8.432 20.429 -2.411 1.00 0.00 C ATOM 1007 CG LYS A 66 -9.948 20.464 -2.322 1.00 0.00 C ATOM 1008 CD LYS A 66 -10.516 21.706 -2.989 1.00 0.00 C ATOM 1009 CE LYS A 66 -12.036 21.731 -2.918 1.00 0.00 C ATOM 1010 NZ LYS A 66 -12.641 20.553 -3.597 1.00 0.00 N ATOM 0 H LYS A 66 -8.729 19.906 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.232 18.297 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.027 21.321 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.137 20.468 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.362 19.574 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.253 20.440 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.113 22.596 -2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.199 21.738 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.351 21.750 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.406 22.646 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.658 20.718 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.183 20.411 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.506 19.706 -3.009 1.00 0.00 H new ATOM 1024 N GLU A 67 -5.578 19.941 -1.177 1.00 0.00 N ATOM 1025 CA GLU A 67 -4.125 20.019 -1.295 1.00 0.00 C ATOM 1026 C GLU A 67 -3.491 18.642 -1.128 1.00 0.00 C ATOM 1027 O GLU A 67 -2.684 18.214 -1.954 1.00 0.00 O ATOM 1028 CB GLU A 67 -3.559 20.983 -0.251 1.00 0.00 C ATOM 1029 CG GLU A 67 -4.091 22.400 -0.379 1.00 0.00 C ATOM 1030 CD GLU A 67 -3.519 23.337 0.667 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -3.715 23.072 1.871 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -2.871 24.332 0.280 1.00 0.00 O ATOM 0 H GLU A 67 -5.972 20.509 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.886 20.391 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.792 20.605 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.473 21.003 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.856 22.784 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.177 22.385 -0.292 1.00 0.00 H new ATOM 1039 N SER A 68 -3.864 17.949 -0.057 1.00 0.00 N ATOM 1040 CA SER A 68 -3.334 16.617 0.215 1.00 0.00 C ATOM 1041 C SER A 68 -3.876 15.605 -0.790 1.00 0.00 C ATOM 1042 O SER A 68 -5.079 15.547 -1.037 1.00 0.00 O ATOM 1043 CB SER A 68 -3.693 16.183 1.638 1.00 0.00 C ATOM 1044 OG SER A 68 -3.153 17.079 2.594 1.00 0.00 O ATOM 0 H SER A 68 -4.531 18.287 0.637 1.00 0.00 H new ATOM 0 HA SER A 68 -2.249 16.656 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.777 16.140 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.314 15.178 1.822 1.00 0.00 H new ATOM 0 HG SER A 68 -3.397 16.782 3.495 1.00 0.00 H new ATOM 1050 N ALA A 69 -2.981 14.811 -1.367 1.00 0.00 N ATOM 1051 CA ALA A 69 -3.371 13.804 -2.347 1.00 0.00 C ATOM 1052 C ALA A 69 -4.042 12.608 -1.676 1.00 0.00 C ATOM 1053 O ALA A 69 -3.515 12.047 -0.715 1.00 0.00 O ATOM 1054 CB ALA A 69 -2.161 13.350 -3.147 1.00 0.00 C ATOM 0 H ALA A 69 -1.980 14.845 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.094 14.258 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.467 12.598 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.728 14.204 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.419 12.922 -2.473 1.00 0.00 H new ATOM 1060 N GLN A 70 -5.202 12.217 -2.196 1.00 0.00 N ATOM 1061 CA GLN A 70 -5.938 11.079 -1.655 1.00 0.00 C ATOM 1062 C GLN A 70 -5.262 9.772 -2.020 1.00 0.00 C ATOM 1063 O GLN A 70 -4.874 9.553 -3.168 1.00 0.00 O ATOM 1064 CB GLN A 70 -7.384 11.078 -2.159 1.00 0.00 C ATOM 1065 CG GLN A 70 -8.223 12.233 -1.634 1.00 0.00 C ATOM 1066 CD GLN A 70 -7.676 13.588 -2.032 1.00 0.00 C ATOM 1067 OE1 GLN A 70 -7.521 13.885 -3.217 1.00 0.00 O ATOM 1068 NE2 GLN A 70 -7.383 14.422 -1.041 1.00 0.00 N ATOM 0 H GLN A 70 -5.652 12.671 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.945 11.175 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.378 11.112 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.857 10.139 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.242 12.134 -2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.275 12.173 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.527 14.135 -0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.014 15.350 -1.248 1.00 0.00 H new ATOM 1077 N ALA A 71 -5.129 8.906 -1.027 1.00 0.00 N ATOM 1078 CA ALA A 71 -4.506 7.603 -1.209 1.00 0.00 C ATOM 1079 C ALA A 71 -3.000 7.725 -1.446 1.00 0.00 C ATOM 1080 O ALA A 71 -2.202 7.138 -0.717 1.00 0.00 O ATOM 1081 CB ALA A 71 -5.170 6.852 -2.354 1.00 0.00 C ATOM 0 H ALA A 71 -5.449 9.085 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.648 7.037 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.692 5.880 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.228 6.711 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.066 7.426 -3.275 1.00 0.00 H new ATOM 1087 N GLY A 72 -2.619 8.495 -2.461 1.00 0.00 N ATOM 1088 CA GLY A 72 -1.212 8.681 -2.764 1.00 0.00 C ATOM 1089 C GLY A 72 -0.616 7.541 -3.570 1.00 0.00 C ATOM 1090 O GLY A 72 -1.238 7.038 -4.506 1.00 0.00 O ATOM 0 H GLY A 72 -3.260 8.993 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.086 9.612 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.657 8.786 -1.832 1.00 0.00 H new ATOM 1094 N LYS A 73 0.603 7.147 -3.212 1.00 0.00 N ATOM 1095 CA LYS A 73 1.310 6.072 -3.907 1.00 0.00 C ATOM 1096 C LYS A 73 0.870 4.687 -3.429 1.00 0.00 C ATOM 1097 O LYS A 73 0.950 3.711 -4.174 1.00 0.00 O ATOM 1098 CB LYS A 73 2.823 6.221 -3.717 1.00 0.00 C ATOM 1099 CG LYS A 73 3.437 7.396 -4.468 1.00 0.00 C ATOM 1100 CD LYS A 73 2.951 8.740 -3.948 1.00 0.00 C ATOM 1101 CE LYS A 73 3.297 8.934 -2.480 1.00 0.00 C ATOM 1102 NZ LYS A 73 2.823 10.247 -1.965 1.00 0.00 N ATOM 0 H LYS A 73 1.126 7.559 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 73 1.059 6.157 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.034 6.334 -2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.310 5.302 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.523 7.349 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.195 7.312 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.399 9.541 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.871 8.812 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.850 8.132 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.377 8.862 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.079 10.339 -0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.269 11.014 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.790 10.307 -2.066 1.00 0.00 H new ATOM 1116 N VAL A 74 0.438 4.602 -2.176 1.00 0.00 N ATOM 1117 CA VAL A 74 0.023 3.329 -1.587 1.00 0.00 C ATOM 1118 C VAL A 74 -1.171 2.690 -2.311 1.00 0.00 C ATOM 1119 O VAL A 74 -1.115 1.519 -2.695 1.00 0.00 O ATOM 1120 CB VAL A 74 -0.337 3.506 -0.099 1.00 0.00 C ATOM 1121 CG1 VAL A 74 -0.653 2.164 0.541 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.792 4.206 0.643 1.00 0.00 C ATOM 0 H VAL A 74 0.365 5.400 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 74 0.877 2.661 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.228 4.130 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.904 2.312 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.498 1.706 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.216 1.511 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.521 4.323 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.701 3.610 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.964 5.188 0.201 1.00 0.00 H new ATOM 1132 N LEU A 75 -2.255 3.442 -2.473 1.00 0.00 N ATOM 1133 CA LEU A 75 -3.455 2.912 -3.124 1.00 0.00 C ATOM 1134 C LEU A 75 -3.140 2.357 -4.514 1.00 0.00 C ATOM 1135 O LEU A 75 -3.513 1.228 -4.830 1.00 0.00 O ATOM 1136 CB LEU A 75 -4.543 3.987 -3.202 1.00 0.00 C ATOM 1137 CG LEU A 75 -5.940 3.482 -3.584 1.00 0.00 C ATOM 1138 CD1 LEU A 75 -5.948 2.921 -4.997 1.00 0.00 C ATOM 1139 CD2 LEU A 75 -6.414 2.434 -2.588 1.00 0.00 C ATOM 0 H LEU A 75 -2.331 4.412 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.826 2.086 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.607 4.486 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.236 4.739 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.629 4.326 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.950 2.570 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.654 3.701 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.246 2.090 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.407 2.085 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.720 1.593 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.455 2.872 -1.591 1.00 0.00 H new ATOM 1151 N PRO A 76 -2.445 3.135 -5.369 1.00 0.00 N ATOM 1152 CA PRO A 76 -2.089 2.696 -6.721 1.00 0.00 C ATOM 1153 C PRO A 76 -1.606 1.249 -6.756 1.00 0.00 C ATOM 1154 O PRO A 76 -1.942 0.493 -7.667 1.00 0.00 O ATOM 1155 CB PRO A 76 -0.955 3.643 -7.100 1.00 0.00 C ATOM 1156 CG PRO A 76 -1.250 4.901 -6.358 1.00 0.00 C ATOM 1157 CD PRO A 76 -1.957 4.497 -5.089 1.00 0.00 C ATOM 0 HA PRO A 76 -2.941 2.725 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.015 3.234 -6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.926 3.815 -8.176 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.331 5.443 -6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.875 5.565 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.281 4.511 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.778 5.175 -4.857 1.00 0.00 H new ATOM 1165 N LEU A 77 -0.821 0.866 -5.751 1.00 0.00 N ATOM 1166 CA LEU A 77 -0.304 -0.494 -5.668 1.00 0.00 C ATOM 1167 C LEU A 77 -1.431 -1.486 -5.434 1.00 0.00 C ATOM 1168 O LEU A 77 -1.453 -2.567 -6.021 1.00 0.00 O ATOM 1169 CB LEU A 77 0.721 -0.623 -4.539 1.00 0.00 C ATOM 1170 CG LEU A 77 1.224 -2.050 -4.300 1.00 0.00 C ATOM 1171 CD1 LEU A 77 2.093 -2.514 -5.460 1.00 0.00 C ATOM 1172 CD2 LEU A 77 1.976 -2.145 -2.979 1.00 0.00 C ATOM 0 H LEU A 77 -0.531 1.477 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 77 0.182 -0.717 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.574 0.017 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.277 -0.248 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 77 0.360 -2.712 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.440 -3.530 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.511 -2.495 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.951 -1.850 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.324 -3.167 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.832 -1.470 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.312 -1.866 -2.161 1.00 0.00 H new ATOM 1184 N VAL A 78 -2.366 -1.114 -4.569 1.00 0.00 N ATOM 1185 CA VAL A 78 -3.495 -1.977 -4.255 1.00 0.00 C ATOM 1186 C VAL A 78 -4.224 -2.399 -5.527 1.00 0.00 C ATOM 1187 O VAL A 78 -4.726 -3.518 -5.625 1.00 0.00 O ATOM 1188 CB VAL A 78 -4.489 -1.287 -3.305 1.00 0.00 C ATOM 1189 CG1 VAL A 78 -5.556 -2.268 -2.846 1.00 0.00 C ATOM 1190 CG2 VAL A 78 -3.758 -0.686 -2.113 1.00 0.00 C ATOM 0 H VAL A 78 -2.364 -0.222 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.093 -2.859 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.980 -0.478 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.250 -1.763 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.099 -2.646 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.085 -3.099 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.477 -0.202 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.239 -1.475 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.034 0.050 -2.463 1.00 0.00 H new ATOM 1200 N GLU A 79 -4.273 -1.494 -6.501 1.00 0.00 N ATOM 1201 CA GLU A 79 -4.937 -1.770 -7.771 1.00 0.00 C ATOM 1202 C GLU A 79 -4.222 -2.884 -8.530 1.00 0.00 C ATOM 1203 O GLU A 79 -4.861 -3.776 -9.089 1.00 0.00 O ATOM 1204 CB GLU A 79 -4.987 -0.506 -8.629 1.00 0.00 C ATOM 1205 CG GLU A 79 -5.744 0.642 -7.981 1.00 0.00 C ATOM 1206 CD GLU A 79 -5.787 1.880 -8.855 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -4.706 2.410 -9.187 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -6.902 2.319 -9.207 1.00 0.00 O ATOM 0 H GLU A 79 -3.861 -0.563 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.954 -2.097 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.968 -0.183 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.454 -0.744 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.762 0.322 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.275 0.890 -7.029 1.00 0.00 H new ATOM 1215 N ALA A 80 -2.895 -2.826 -8.545 1.00 0.00 N ATOM 1216 CA ALA A 80 -2.092 -3.829 -9.234 1.00 0.00 C ATOM 1217 C ALA A 80 -2.360 -5.221 -8.680 1.00 0.00 C ATOM 1218 O ALA A 80 -2.517 -6.183 -9.428 1.00 0.00 O ATOM 1219 CB ALA A 80 -0.612 -3.497 -9.107 1.00 0.00 C ATOM 0 H ALA A 80 -2.352 -2.094 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.373 -3.819 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.024 -4.254 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.419 -2.520 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.332 -3.479 -8.054 1.00 0.00 H new ATOM 1225 N LEU A 81 -2.395 -5.317 -7.357 1.00 0.00 N ATOM 1226 CA LEU A 81 -2.625 -6.585 -6.682 1.00 0.00 C ATOM 1227 C LEU A 81 -3.969 -7.193 -7.082 1.00 0.00 C ATOM 1228 O LEU A 81 -4.069 -8.402 -7.295 1.00 0.00 O ATOM 1229 CB LEU A 81 -2.554 -6.383 -5.169 1.00 0.00 C ATOM 1230 CG LEU A 81 -1.305 -5.638 -4.683 1.00 0.00 C ATOM 1231 CD1 LEU A 81 -1.257 -5.597 -3.164 1.00 0.00 C ATOM 1232 CD2 LEU A 81 -0.045 -6.280 -5.246 1.00 0.00 C ATOM 0 H LEU A 81 -2.266 -4.525 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.846 -7.284 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.438 -5.832 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.592 -7.358 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.357 -4.612 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.362 -5.064 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.141 -5.084 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.233 -6.614 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.830 -5.737 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.013 -7.318 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.075 -6.246 -6.335 1.00 0.00 H new ATOM 1244 N ARG A 82 -4.998 -6.357 -7.185 1.00 0.00 N ATOM 1245 CA ARG A 82 -6.329 -6.834 -7.562 1.00 0.00 C ATOM 1246 C ARG A 82 -6.297 -7.555 -8.907 1.00 0.00 C ATOM 1247 O ARG A 82 -6.926 -8.599 -9.075 1.00 0.00 O ATOM 1248 CB ARG A 82 -7.330 -5.677 -7.633 1.00 0.00 C ATOM 1249 CG ARG A 82 -7.631 -5.029 -6.289 1.00 0.00 C ATOM 1250 CD ARG A 82 -8.864 -4.140 -6.379 1.00 0.00 C ATOM 1251 NE ARG A 82 -9.185 -3.502 -5.104 1.00 0.00 N ATOM 1252 CZ ARG A 82 -8.457 -2.534 -4.552 1.00 0.00 C ATOM 1253 NH1 ARG A 82 -7.375 -2.076 -5.170 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -8.817 -2.017 -3.386 1.00 0.00 N ATOM 0 H ARG A 82 -4.939 -5.353 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.648 -7.535 -6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.942 -4.917 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.262 -6.043 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.788 -5.801 -5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.774 -4.438 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.701 -3.372 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.715 -4.736 -6.708 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.018 -3.818 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.099 -2.466 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.820 -1.334 -4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.652 -2.361 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.259 -1.275 -2.963 1.00 0.00 H new ATOM 1268 N ALA A 83 -5.568 -6.989 -9.862 1.00 0.00 N ATOM 1269 CA ALA A 83 -5.464 -7.576 -11.196 1.00 0.00 C ATOM 1270 C ALA A 83 -4.946 -9.010 -11.134 1.00 0.00 C ATOM 1271 O ALA A 83 -5.546 -9.922 -11.704 1.00 0.00 O ATOM 1272 CB ALA A 83 -4.562 -6.725 -12.076 1.00 0.00 C ATOM 0 H ALA A 83 -5.040 -6.125 -9.739 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.463 -7.601 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.493 -7.173 -13.067 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.978 -5.721 -12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.568 -6.670 -11.632 1.00 0.00 H new ATOM 1278 N ARG A 84 -3.832 -9.203 -10.437 1.00 0.00 N ATOM 1279 CA ARG A 84 -3.240 -10.529 -10.299 1.00 0.00 C ATOM 1280 C ARG A 84 -4.096 -11.418 -9.402 1.00 0.00 C ATOM 1281 O ARG A 84 -4.086 -12.641 -9.533 1.00 0.00 O ATOM 1282 CB ARG A 84 -1.818 -10.427 -9.743 1.00 0.00 C ATOM 1283 CG ARG A 84 -0.873 -9.643 -10.639 1.00 0.00 C ATOM 1284 CD ARG A 84 0.562 -9.710 -10.140 1.00 0.00 C ATOM 1285 NE ARG A 84 0.705 -9.161 -8.795 1.00 0.00 N ATOM 1286 CZ ARG A 84 1.865 -9.097 -8.142 1.00 0.00 C ATOM 1287 NH1 ARG A 84 2.979 -9.539 -8.711 1.00 0.00 N ATOM 1288 NH2 ARG A 84 1.910 -8.585 -6.921 1.00 0.00 N ATOM 0 H ARG A 84 -3.321 -8.460 -9.960 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.197 -10.983 -11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.853 -9.953 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.420 -11.431 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.924 -10.037 -11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.194 -8.602 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.898 -10.747 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.209 -9.162 -10.825 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.130 -8.806 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.950 -9.930 -9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.864 -9.488 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.057 -8.240 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.798 -8.536 -6.421 1.00 0.00 H new ATOM 1302 N GLY A 85 -4.833 -10.792 -8.488 1.00 0.00 N ATOM 1303 CA GLY A 85 -5.682 -11.541 -7.579 1.00 0.00 C ATOM 1304 C GLY A 85 -4.984 -11.865 -6.274 1.00 0.00 C ATOM 1305 O GLY A 85 -5.087 -12.981 -5.765 1.00 0.00 O ATOM 0 H GLY A 85 -4.857 -9.780 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.585 -10.966 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.997 -12.467 -8.060 1.00 0.00 H new ATOM 1309 N VAL A 86 -4.278 -10.879 -5.730 1.00 0.00 N ATOM 1310 CA VAL A 86 -3.563 -11.048 -4.472 1.00 0.00 C ATOM 1311 C VAL A 86 -4.370 -10.475 -3.310 1.00 0.00 C ATOM 1312 O VAL A 86 -4.988 -9.418 -3.437 1.00 0.00 O ATOM 1313 CB VAL A 86 -2.182 -10.362 -4.519 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.433 -10.562 -3.208 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.369 -10.887 -5.693 1.00 0.00 C ATOM 0 H VAL A 86 -4.186 -9.951 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.421 -12.118 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.334 -9.292 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.462 -10.070 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.011 -10.132 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.289 -11.628 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.397 -10.393 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.228 -11.962 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.899 -10.682 -6.623 1.00 0.00 H new ATOM 1325 N GLU A 87 -4.361 -11.174 -2.180 1.00 0.00 N ATOM 1326 CA GLU A 87 -5.091 -10.720 -1.002 1.00 0.00 C ATOM 1327 C GLU A 87 -4.578 -9.360 -0.544 1.00 0.00 C ATOM 1328 O GLU A 87 -3.371 -9.158 -0.399 1.00 0.00 O ATOM 1329 CB GLU A 87 -4.963 -11.740 0.130 1.00 0.00 C ATOM 1330 CG GLU A 87 -5.525 -13.110 -0.219 1.00 0.00 C ATOM 1331 CD GLU A 87 -7.000 -13.061 -0.570 1.00 0.00 C ATOM 1332 OE1 GLU A 87 -7.802 -12.641 0.289 1.00 0.00 O ATOM 1333 OE2 GLU A 87 -7.351 -13.444 -1.707 1.00 0.00 O ATOM 0 H GLU A 87 -3.859 -12.053 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.143 -10.622 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.911 -11.845 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.478 -11.359 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.968 -13.524 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.378 -13.785 0.624 1.00 0.00 H new ATOM 1340 N VAL A 88 -5.497 -8.425 -0.327 1.00 0.00 N ATOM 1341 CA VAL A 88 -5.134 -7.078 0.101 1.00 0.00 C ATOM 1342 C VAL A 88 -6.252 -6.439 0.917 1.00 0.00 C ATOM 1343 O VAL A 88 -7.433 -6.664 0.653 1.00 0.00 O ATOM 1344 CB VAL A 88 -4.822 -6.170 -1.107 1.00 0.00 C ATOM 1345 CG1 VAL A 88 -4.416 -4.779 -0.647 1.00 0.00 C ATOM 1346 CG2 VAL A 88 -3.740 -6.783 -1.981 1.00 0.00 C ATOM 0 H VAL A 88 -6.500 -8.575 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.242 -7.175 0.720 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.730 -6.080 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.201 -4.157 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.229 -4.333 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.526 -4.848 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.538 -6.124 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.830 -6.912 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.076 -7.753 -2.349 1.00 0.00 H new ATOM 1356 N GLU A 89 -5.871 -5.637 1.906 1.00 0.00 N ATOM 1357 CA GLU A 89 -6.849 -4.962 2.753 1.00 0.00 C ATOM 1358 C GLU A 89 -6.182 -3.950 3.679 1.00 0.00 C ATOM 1359 O GLU A 89 -5.284 -4.292 4.449 1.00 0.00 O ATOM 1360 CB GLU A 89 -7.632 -5.986 3.578 1.00 0.00 C ATOM 1361 CG GLU A 89 -6.756 -6.831 4.490 1.00 0.00 C ATOM 1362 CD GLU A 89 -7.550 -7.844 5.292 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -8.789 -7.885 5.136 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -6.935 -8.595 6.075 1.00 0.00 O ATOM 0 H GLU A 89 -4.898 -5.439 2.140 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.536 -4.422 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.373 -5.463 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.179 -6.643 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.011 -7.353 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.214 -6.178 5.173 1.00 0.00 H new ATOM 1371 N LEU A 90 -6.631 -2.701 3.596 1.00 0.00 N ATOM 1372 CA LEU A 90 -6.084 -1.631 4.425 1.00 0.00 C ATOM 1373 C LEU A 90 -6.599 -1.735 5.858 1.00 0.00 C ATOM 1374 O LEU A 90 -7.803 -1.863 6.085 1.00 0.00 O ATOM 1375 CB LEU A 90 -6.434 -0.254 3.842 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.890 0.198 4.016 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.082 1.592 3.441 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -8.847 -0.781 3.353 1.00 0.00 C ATOM 0 H LEU A 90 -7.373 -2.404 2.962 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.000 -1.741 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.785 0.490 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.201 -0.262 2.777 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.112 0.222 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.120 1.900 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.428 2.293 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.837 1.585 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.872 -0.438 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.625 -0.842 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.731 -1.766 3.805 1.00 0.00 H new ATOM 1390 N TRP A 91 -5.685 -1.672 6.823 1.00 0.00 N ATOM 1391 CA TRP A 91 -6.063 -1.754 8.228 1.00 0.00 C ATOM 1392 C TRP A 91 -6.644 -0.427 8.705 1.00 0.00 C ATOM 1393 O TRP A 91 -6.196 0.642 8.291 1.00 0.00 O ATOM 1394 CB TRP A 91 -4.867 -2.166 9.098 1.00 0.00 C ATOM 1395 CG TRP A 91 -3.760 -1.153 9.159 1.00 0.00 C ATOM 1396 CD1 TRP A 91 -3.852 0.147 9.571 1.00 0.00 C ATOM 1397 CD2 TRP A 91 -2.388 -1.364 8.806 1.00 0.00 C ATOM 1398 NE1 TRP A 91 -2.624 0.755 9.493 1.00 0.00 N ATOM 1399 CE2 TRP A 91 -1.709 -0.150 9.025 1.00 0.00 C ATOM 1400 CE3 TRP A 91 -1.667 -2.461 8.324 1.00 0.00 C ATOM 1401 CZ2 TRP A 91 -0.344 -0.005 8.780 1.00 0.00 C ATOM 1402 CZ3 TRP A 91 -0.314 -2.315 8.081 1.00 0.00 C ATOM 1403 CH2 TRP A 91 0.335 -1.095 8.311 1.00 0.00 C ATOM 0 H TRP A 91 -4.684 -1.565 6.658 1.00 0.00 H new ATOM 0 HA TRP A 91 -6.830 -2.522 8.327 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.221 -2.360 10.111 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.463 -3.104 8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -4.759 0.626 9.909 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -2.425 1.724 9.743 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -2.159 -3.406 8.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 0.159 0.935 8.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 0.252 -3.156 7.708 1.00 0.00 H new ATOM 0 HH2 TRP A 91 1.394 -1.014 8.114 1.00 0.00 H new ATOM 1414 N ASP A 92 -7.651 -0.502 9.570 1.00 0.00 N ATOM 1415 CA ASP A 92 -8.296 0.697 10.096 1.00 0.00 C ATOM 1416 C ASP A 92 -9.386 0.330 11.100 1.00 0.00 C ATOM 1417 O ASP A 92 -10.196 -0.561 10.853 1.00 0.00 O ATOM 1418 CB ASP A 92 -8.891 1.522 8.954 1.00 0.00 C ATOM 1419 CG ASP A 92 -9.948 0.759 8.179 1.00 0.00 C ATOM 1420 OD1 ASP A 92 -9.621 -0.308 7.620 1.00 0.00 O ATOM 1421 OD2 ASP A 92 -11.104 1.229 8.129 1.00 0.00 O ATOM 0 H ASP A 92 -8.038 -1.378 9.921 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.541 1.293 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.329 2.434 9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.094 1.825 8.275 1.00 0.00 H new ATOM 1426 N GLU A 93 -9.394 1.022 12.237 1.00 0.00 N ATOM 1427 CA GLU A 93 -10.378 0.768 13.283 1.00 0.00 C ATOM 1428 C GLU A 93 -10.338 -0.686 13.726 1.00 0.00 C ATOM 1429 O GLU A 93 -11.375 -1.341 13.847 1.00 0.00 O ATOM 1430 CB GLU A 93 -11.787 1.137 12.809 1.00 0.00 C ATOM 1431 CG GLU A 93 -11.964 2.616 12.503 1.00 0.00 C ATOM 1432 CD GLU A 93 -11.128 3.075 11.325 1.00 0.00 C ATOM 1433 OE1 GLU A 93 -11.350 2.564 10.208 1.00 0.00 O ATOM 1434 OE2 GLU A 93 -10.253 3.944 11.520 1.00 0.00 O ATOM 0 H GLU A 93 -8.729 1.763 12.456 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.124 1.396 14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.022 0.560 11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.506 0.845 13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.015 2.817 12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.695 3.200 13.383 1.00 0.00 H new ATOM 1441 N ARG A 94 -9.134 -1.183 13.973 1.00 0.00 N ATOM 1442 CA ARG A 94 -8.957 -2.557 14.412 1.00 0.00 C ATOM 1443 C ARG A 94 -7.487 -2.857 14.685 1.00 0.00 C ATOM 1444 O ARG A 94 -6.615 -2.509 13.889 1.00 0.00 O ATOM 1445 CB ARG A 94 -9.505 -3.526 13.363 1.00 0.00 C ATOM 1446 CG ARG A 94 -8.838 -3.392 12.003 1.00 0.00 C ATOM 1447 CD ARG A 94 -9.451 -4.342 10.985 1.00 0.00 C ATOM 1448 NE ARG A 94 -9.297 -5.742 11.375 1.00 0.00 N ATOM 1449 CZ ARG A 94 -8.127 -6.373 11.443 1.00 0.00 C ATOM 1450 NH1 ARG A 94 -7.005 -5.744 11.108 1.00 0.00 N ATOM 1451 NH2 ARG A 94 -8.078 -7.638 11.835 1.00 0.00 N ATOM 0 H ARG A 94 -8.267 -0.654 13.876 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.512 -2.689 15.340 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.377 -4.547 13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.576 -3.359 13.251 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.935 -2.366 11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.772 -3.597 12.098 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.510 -4.113 10.869 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.982 -4.183 10.014 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.139 -6.268 11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.038 -4.773 10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.111 -6.232 11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.937 -8.128 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.181 -8.121 11.887 1.00 0.00 H new ATOM 1465 N PHE A 95 -7.220 -3.502 15.816 1.00 0.00 N ATOM 1466 CA PHE A 95 -5.854 -3.849 16.198 1.00 0.00 C ATOM 1467 C PHE A 95 -5.009 -2.596 16.405 1.00 0.00 C ATOM 1468 O PHE A 95 -5.085 -1.647 15.625 1.00 0.00 O ATOM 1469 CB PHE A 95 -5.209 -4.747 15.139 1.00 0.00 C ATOM 1470 CG PHE A 95 -5.851 -6.101 15.016 1.00 0.00 C ATOM 1471 CD1 PHE A 95 -7.212 -6.224 14.774 1.00 0.00 C ATOM 1472 CD2 PHE A 95 -5.092 -7.254 15.139 1.00 0.00 C ATOM 1473 CE1 PHE A 95 -7.800 -7.470 14.660 1.00 0.00 C ATOM 1474 CE2 PHE A 95 -5.675 -8.501 15.027 1.00 0.00 C ATOM 1475 CZ PHE A 95 -7.029 -8.609 14.787 1.00 0.00 C ATOM 0 H PHE A 95 -7.932 -3.796 16.485 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.900 -4.394 17.141 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.256 -4.244 14.173 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.154 -4.876 15.380 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.819 -5.336 14.674 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.031 -7.176 15.325 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.860 -7.553 14.472 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.071 -9.391 15.127 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.486 -9.584 14.698 1.00 0.00 H new ATOM 1485 N THR A 96 -4.205 -2.601 17.463 1.00 0.00 N ATOM 1486 CA THR A 96 -3.346 -1.467 17.779 1.00 0.00 C ATOM 1487 C THR A 96 -2.410 -1.140 16.619 1.00 0.00 C ATOM 1488 O THR A 96 -1.863 -2.038 15.979 1.00 0.00 O ATOM 1489 CB THR A 96 -2.504 -1.735 19.041 1.00 0.00 C ATOM 1490 OG1 THR A 96 -1.662 -0.608 19.317 1.00 0.00 O ATOM 1491 CG2 THR A 96 -1.648 -2.980 18.868 1.00 0.00 C ATOM 0 H THR A 96 -4.131 -3.380 18.117 1.00 0.00 H new ATOM 0 HA THR A 96 -4.003 -0.617 17.961 1.00 0.00 H new ATOM 0 HB THR A 96 -3.185 -1.895 19.877 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.131 -0.785 20.122 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.063 -3.148 19.772 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.291 -3.841 18.687 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.976 -2.844 18.021 1.00 0.00 H new ATOM 1499 N THR A 97 -2.233 0.151 16.356 1.00 0.00 N ATOM 1500 CA THR A 97 -1.364 0.603 15.275 1.00 0.00 C ATOM 1501 C THR A 97 -0.915 2.043 15.500 1.00 0.00 C ATOM 1502 O THR A 97 -1.719 2.906 15.852 1.00 0.00 O ATOM 1503 CB THR A 97 -2.070 0.512 13.908 1.00 0.00 C ATOM 1504 OG1 THR A 97 -3.252 1.322 13.913 1.00 0.00 O ATOM 1505 CG2 THR A 97 -2.437 -0.927 13.579 1.00 0.00 C ATOM 0 H THR A 97 -2.681 0.904 16.878 1.00 0.00 H new ATOM 0 HA THR A 97 -0.495 -0.055 15.273 1.00 0.00 H new ATOM 0 HB THR A 97 -1.382 0.876 13.145 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.694 1.261 13.041 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.934 -0.963 12.609 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.533 -1.535 13.546 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.108 -1.316 14.345 1.00 0.00 H new ATOM 1513 N LYS A 98 0.374 2.295 15.293 1.00 0.00 N ATOM 1514 CA LYS A 98 0.931 3.630 15.476 1.00 0.00 C ATOM 1515 C LYS A 98 0.748 4.105 16.913 1.00 0.00 C ATOM 1516 O LYS A 98 0.816 5.300 17.197 1.00 0.00 O ATOM 1517 CB LYS A 98 0.268 4.618 14.513 1.00 0.00 C ATOM 1518 CG LYS A 98 0.463 4.264 13.048 1.00 0.00 C ATOM 1519 CD LYS A 98 -0.210 5.279 12.136 1.00 0.00 C ATOM 1520 CE LYS A 98 -0.006 4.931 10.671 1.00 0.00 C ATOM 1521 NZ LYS A 98 1.436 4.896 10.303 1.00 0.00 N ATOM 0 H LYS A 98 1.052 1.592 14.998 1.00 0.00 H new ATOM 0 HA LYS A 98 1.999 3.583 15.261 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.800 4.662 14.729 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.671 5.615 14.694 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.528 4.220 12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.055 3.272 12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.277 5.318 12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.193 6.272 12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.457 3.961 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.521 5.663 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.530 4.892 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.914 5.734 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.873 4.037 10.693 1.00 0.00 H new TER 1535 LYS A 98