USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 CYS N :NH3+ 179:sc= -0.212 (180deg=-0.216) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 157:sc= 0.492 (180deg=0.241) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 1 CYS N :NH3+ 155:sc= 0.21 (180deg=0.0922) USER MOD Single : C 1 CYS SG : rot 180:sc= 0.113 USER MOD Single : C 2 TYR OH : rot -140:sc= 0.0498 USER MOD Single : C 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 LYS NZ :NH3+ 145:sc= 0.0337 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 TYR OH : rot 180:sc= 0 USER MOD Single : D 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.338 6.113 -7.706 1.00 0.00 N ATOM 2 CA CYS A 1 3.603 6.008 -6.242 1.00 0.00 C ATOM 3 C CYS A 1 4.644 4.932 -5.971 1.00 0.00 C ATOM 4 O CYS A 1 4.943 4.613 -4.837 1.00 0.00 O ATOM 5 CB CYS A 1 2.262 5.625 -5.621 1.00 0.00 C ATOM 6 SG CYS A 1 1.391 7.119 -5.090 1.00 0.00 S ATOM 0 H1 CYS A 1 2.613 6.839 -7.876 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.215 6.376 -8.199 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.001 5.197 -8.064 1.00 0.00 H new ATOM 0 HA CYS A 1 3.992 6.937 -5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.658 5.077 -6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.420 4.962 -4.770 1.00 0.00 H new ATOM 13 N TYR A 2 5.207 4.378 -6.998 1.00 0.00 N ATOM 14 CA TYR A 2 6.237 3.336 -6.793 1.00 0.00 C ATOM 15 C TYR A 2 7.600 3.899 -7.208 1.00 0.00 C ATOM 16 O TYR A 2 8.629 3.458 -6.744 1.00 0.00 O ATOM 17 CB TYR A 2 5.801 2.170 -7.688 1.00 0.00 C ATOM 18 CG TYR A 2 6.417 2.339 -9.047 1.00 0.00 C ATOM 19 CD1 TYR A 2 7.763 2.032 -9.227 1.00 0.00 C ATOM 20 CD2 TYR A 2 5.657 2.827 -10.107 1.00 0.00 C ATOM 21 CE1 TYR A 2 8.359 2.208 -10.470 1.00 0.00 C ATOM 22 CE2 TYR A 2 6.247 3.005 -11.360 1.00 0.00 C ATOM 23 CZ TYR A 2 7.603 2.695 -11.545 1.00 0.00 C ATOM 24 OH TYR A 2 8.189 2.872 -12.781 1.00 0.00 O ATOM 0 H TYR A 2 4.999 4.602 -7.971 1.00 0.00 H new ATOM 0 HA TYR A 2 6.332 3.011 -5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.112 1.222 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 2 4.714 2.143 -7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 2 8.345 1.656 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.614 3.067 -9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.403 1.970 -10.607 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.661 3.381 -12.185 1.00 0.00 H new ATOM 0 HH TYR A 2 7.523 3.215 -13.413 1.00 0.00 H new ATOM 34 N LEU A 3 7.611 4.874 -8.085 1.00 0.00 N ATOM 35 CA LEU A 3 8.909 5.465 -8.515 1.00 0.00 C ATOM 36 C LEU A 3 9.757 5.672 -7.274 1.00 0.00 C ATOM 37 O LEU A 3 10.830 5.129 -7.132 1.00 0.00 O ATOM 38 CB LEU A 3 8.550 6.799 -9.150 1.00 0.00 C ATOM 39 CG LEU A 3 8.324 6.611 -10.636 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.224 5.577 -10.854 1.00 0.00 C ATOM 41 CD2 LEU A 3 7.910 7.942 -11.263 1.00 0.00 C ATOM 0 H LEU A 3 6.781 5.281 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 3 9.465 4.840 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.652 7.205 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.350 7.520 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 3 9.245 6.264 -11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.060 5.440 -11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.523 4.628 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.302 5.923 -10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.748 7.806 -12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.989 8.292 -10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.698 8.679 -11.107 1.00 0.00 H new ATOM 53 N ARG A 4 9.237 6.428 -6.355 1.00 0.00 N ATOM 54 CA ARG A 4 9.958 6.657 -5.072 1.00 0.00 C ATOM 55 C ARG A 4 10.554 5.328 -4.616 1.00 0.00 C ATOM 56 O ARG A 4 11.644 5.265 -4.089 1.00 0.00 O ATOM 57 CB ARG A 4 8.895 7.115 -4.056 1.00 0.00 C ATOM 58 CG ARG A 4 7.855 8.021 -4.722 1.00 0.00 C ATOM 59 CD ARG A 4 6.599 7.205 -5.079 1.00 0.00 C ATOM 60 NE ARG A 4 5.758 8.147 -5.868 1.00 0.00 N ATOM 61 CZ ARG A 4 5.399 9.289 -5.350 1.00 0.00 C ATOM 62 NH1 ARG A 4 4.376 9.347 -4.542 1.00 0.00 N ATOM 63 NH2 ARG A 4 6.065 10.374 -5.639 1.00 0.00 N ATOM 0 H ARG A 4 8.337 6.902 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 4 10.754 7.395 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.401 6.245 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.376 7.649 -3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.590 8.838 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.275 8.471 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.853 6.318 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.080 6.863 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 4 5.463 7.900 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.857 8.499 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.096 10.240 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.865 10.328 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.785 11.267 -5.234 1.00 0.00 H new ATOM 77 N ARG A 5 9.827 4.265 -4.831 1.00 0.00 N ATOM 78 CA ARG A 5 10.325 2.919 -4.431 1.00 0.00 C ATOM 79 C ARG A 5 11.316 2.389 -5.474 1.00 0.00 C ATOM 80 O ARG A 5 12.330 1.812 -5.139 1.00 0.00 O ATOM 81 CB ARG A 5 9.059 2.059 -4.331 1.00 0.00 C ATOM 82 CG ARG A 5 9.319 0.608 -4.753 1.00 0.00 C ATOM 83 CD ARG A 5 8.662 0.360 -6.111 1.00 0.00 C ATOM 84 NE ARG A 5 7.431 -0.423 -5.805 1.00 0.00 N ATOM 85 CZ ARG A 5 7.524 -1.643 -5.352 1.00 0.00 C ATOM 86 NH1 ARG A 5 8.590 -2.352 -5.599 1.00 0.00 N ATOM 87 NH2 ARG A 5 6.549 -2.155 -4.651 1.00 0.00 N ATOM 0 H ARG A 5 8.906 4.272 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 5 10.873 2.922 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.687 2.078 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.279 2.486 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.391 0.420 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.916 -0.079 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.419 1.298 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.326 -0.192 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 5 6.513 -0.003 -5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.352 -1.953 -6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.662 -3.306 -5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.715 -1.601 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.622 -3.109 -4.297 1.00 0.00 H new ATOM 101 N PHE A 6 11.041 2.590 -6.731 1.00 0.00 N ATOM 102 CA PHE A 6 11.982 2.104 -7.779 1.00 0.00 C ATOM 103 C PHE A 6 13.192 3.044 -7.856 1.00 0.00 C ATOM 104 O PHE A 6 14.330 2.616 -7.884 1.00 0.00 O ATOM 105 CB PHE A 6 11.157 2.116 -9.072 1.00 0.00 C ATOM 106 CG PHE A 6 11.923 2.731 -10.203 1.00 0.00 C ATOM 107 CD1 PHE A 6 12.734 1.932 -11.007 1.00 0.00 C ATOM 108 CD2 PHE A 6 11.812 4.097 -10.449 1.00 0.00 C ATOM 109 CE1 PHE A 6 13.440 2.501 -12.063 1.00 0.00 C ATOM 110 CE2 PHE A 6 12.517 4.672 -11.503 1.00 0.00 C ATOM 111 CZ PHE A 6 13.333 3.875 -12.316 1.00 0.00 C ATOM 0 H PHE A 6 10.209 3.068 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 6 12.382 1.110 -7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.874 1.097 -9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.233 2.672 -8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.815 0.873 -10.811 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.180 4.710 -9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.070 1.884 -12.687 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.435 5.732 -11.694 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.878 4.318 -13.136 1.00 0.00 H new ATOM 121 N PHE A 7 12.945 4.324 -7.896 1.00 0.00 N ATOM 122 CA PHE A 7 14.051 5.307 -7.978 1.00 0.00 C ATOM 123 C PHE A 7 14.931 5.240 -6.728 1.00 0.00 C ATOM 124 O PHE A 7 16.140 5.319 -6.807 1.00 0.00 O ATOM 125 CB PHE A 7 13.354 6.652 -8.085 1.00 0.00 C ATOM 126 CG PHE A 7 13.626 7.237 -9.444 1.00 0.00 C ATOM 127 CD1 PHE A 7 14.937 7.279 -9.929 1.00 0.00 C ATOM 128 CD2 PHE A 7 12.573 7.726 -10.225 1.00 0.00 C ATOM 129 CE1 PHE A 7 15.198 7.810 -11.194 1.00 0.00 C ATOM 130 CE2 PHE A 7 12.834 8.259 -11.492 1.00 0.00 C ATOM 131 CZ PHE A 7 14.147 8.301 -11.977 1.00 0.00 C ATOM 0 H PHE A 7 12.010 4.732 -7.875 1.00 0.00 H new ATOM 0 HA PHE A 7 14.714 5.119 -8.822 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.281 6.533 -7.934 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.713 7.325 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.748 6.901 -9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.561 7.692 -9.850 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.211 7.842 -11.568 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.023 8.638 -12.096 1.00 0.00 H new ATOM 0 HZ PHE A 7 14.349 8.712 -12.955 1.00 0.00 H new ATOM 141 N LYS A 8 14.337 5.098 -5.577 1.00 0.00 N ATOM 142 CA LYS A 8 15.143 5.028 -4.329 1.00 0.00 C ATOM 143 C LYS A 8 16.314 4.066 -4.511 1.00 0.00 C ATOM 144 O LYS A 8 17.331 4.176 -3.856 1.00 0.00 O ATOM 145 CB LYS A 8 14.187 4.507 -3.268 1.00 0.00 C ATOM 146 CG LYS A 8 13.765 5.651 -2.344 1.00 0.00 C ATOM 147 CD LYS A 8 12.643 5.171 -1.420 1.00 0.00 C ATOM 148 CE LYS A 8 13.039 3.836 -0.786 1.00 0.00 C ATOM 149 NZ LYS A 8 12.353 3.820 0.536 1.00 0.00 N ATOM 0 H LYS A 8 13.328 5.027 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 8 15.565 5.996 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.309 4.067 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.667 3.718 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.617 5.990 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.426 6.503 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.455 5.913 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.717 5.057 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.724 2.996 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.120 3.759 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.576 2.934 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.678 4.627 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.325 3.888 0.394 1.00 0.00 H new ATOM 163 N ALA A 9 16.179 3.127 -5.401 1.00 0.00 N ATOM 164 CA ALA A 9 17.276 2.163 -5.635 1.00 0.00 C ATOM 165 C ALA A 9 18.173 2.686 -6.749 1.00 0.00 C ATOM 166 O ALA A 9 19.351 2.397 -6.810 1.00 0.00 O ATOM 167 CB ALA A 9 16.583 0.866 -6.056 1.00 0.00 C ATOM 0 H ALA A 9 15.349 2.988 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 9 17.903 2.011 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.333 0.099 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.919 0.533 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.002 1.041 -6.962 1.00 0.00 H new ATOM 173 N LYS A 10 17.614 3.465 -7.630 1.00 0.00 N ATOM 174 CA LYS A 10 18.403 4.028 -8.740 1.00 0.00 C ATOM 175 C LYS A 10 19.424 5.034 -8.206 1.00 0.00 C ATOM 176 O LYS A 10 20.609 4.906 -8.439 1.00 0.00 O ATOM 177 CB LYS A 10 17.369 4.708 -9.621 1.00 0.00 C ATOM 178 CG LYS A 10 17.789 4.610 -11.085 1.00 0.00 C ATOM 179 CD LYS A 10 17.809 3.142 -11.505 1.00 0.00 C ATOM 180 CE LYS A 10 17.343 3.018 -12.959 1.00 0.00 C ATOM 181 NZ LYS A 10 18.576 2.698 -13.731 1.00 0.00 N ATOM 0 H LYS A 10 16.630 3.735 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 10 18.974 3.275 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.395 4.240 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.264 5.754 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.096 5.171 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.775 5.054 -11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 10 18.815 2.736 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.160 2.558 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.594 2.234 -13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.888 3.945 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.338 2.597 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.268 3.465 -13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.983 1.808 -13.381 1.00 0.00 H new ATOM 195 N LYS A 11 18.981 6.031 -7.483 1.00 0.00 N ATOM 196 CA LYS A 11 19.941 7.029 -6.941 1.00 0.00 C ATOM 197 C LYS A 11 21.114 6.316 -6.266 1.00 0.00 C ATOM 198 O LYS A 11 22.218 6.820 -6.219 1.00 0.00 O ATOM 199 CB LYS A 11 19.143 7.838 -5.919 1.00 0.00 C ATOM 200 CG LYS A 11 18.616 9.111 -6.582 1.00 0.00 C ATOM 201 CD LYS A 11 17.134 8.935 -6.920 1.00 0.00 C ATOM 202 CE LYS A 11 16.368 10.207 -6.543 1.00 0.00 C ATOM 203 NZ LYS A 11 15.143 9.725 -5.848 1.00 0.00 N ATOM 0 H LYS A 11 18.002 6.193 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 11 20.360 7.665 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.314 7.244 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.774 8.092 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.749 9.963 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.184 9.324 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.015 8.728 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.727 8.080 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.964 10.849 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.116 10.793 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.565 10.540 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.593 9.122 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.414 9.176 -5.007 1.00 0.00 H new ATOM 217 N LEU A 12 20.880 5.147 -5.737 1.00 0.00 N ATOM 218 CA LEU A 12 21.967 4.400 -5.057 1.00 0.00 C ATOM 219 C LEU A 12 22.966 3.845 -6.078 1.00 0.00 C ATOM 220 O LEU A 12 23.998 3.313 -5.719 1.00 0.00 O ATOM 221 CB LEU A 12 21.266 3.260 -4.323 1.00 0.00 C ATOM 222 CG LEU A 12 20.363 3.838 -3.231 1.00 0.00 C ATOM 223 CD1 LEU A 12 19.853 2.706 -2.337 1.00 0.00 C ATOM 224 CD2 LEU A 12 21.160 4.835 -2.386 1.00 0.00 C ATOM 0 H LEU A 12 19.975 4.677 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 12 22.535 5.037 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.676 2.670 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.003 2.588 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 12 19.516 4.346 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.210 3.118 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.286 1.995 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.699 2.197 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.518 5.247 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 12 22.007 4.326 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.523 5.642 -3.022 1.00 0.00 H new ATOM 236 N ILE A 13 22.672 3.960 -7.345 1.00 0.00 N ATOM 237 CA ILE A 13 23.618 3.432 -8.371 1.00 0.00 C ATOM 238 C ILE A 13 23.582 4.275 -9.635 1.00 0.00 C ATOM 239 O ILE A 13 23.504 3.773 -10.738 1.00 0.00 O ATOM 240 CB ILE A 13 23.177 1.996 -8.670 1.00 0.00 C ATOM 241 CG1 ILE A 13 21.649 1.883 -8.671 1.00 0.00 C ATOM 242 CG2 ILE A 13 23.752 1.056 -7.611 1.00 0.00 C ATOM 243 CD1 ILE A 13 21.155 1.724 -10.110 1.00 0.00 C ATOM 0 H ILE A 13 21.825 4.393 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 13 24.644 3.463 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 13 23.547 1.719 -9.657 1.00 0.00 H new ATOM 0 HG12 ILE A 13 21.336 1.029 -8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.207 2.771 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 13 23.439 0.034 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.840 1.112 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 13 23.388 1.350 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.068 1.643 -10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.457 2.592 -10.696 1.00 0.00 H new ATOM 0 HD13 ILE A 13 21.588 0.823 -10.546 1.00 0.00 H new ATOM 255 N GLU A 14 23.626 5.554 -9.469 1.00 0.00 N ATOM 256 CA GLU A 14 23.585 6.465 -10.623 1.00 0.00 C ATOM 257 C GLU A 14 24.710 7.503 -10.534 1.00 0.00 C ATOM 258 O GLU A 14 25.324 7.593 -9.483 1.00 0.00 O ATOM 259 CB GLU A 14 22.226 7.116 -10.480 1.00 0.00 C ATOM 260 CG GLU A 14 21.159 6.043 -10.658 1.00 0.00 C ATOM 261 CD GLU A 14 20.701 6.009 -12.117 1.00 0.00 C ATOM 262 OE1 GLU A 14 21.413 5.442 -12.929 1.00 0.00 O ATOM 263 OE2 GLU A 14 19.644 6.551 -12.398 1.00 0.00 O ATOM 264 OXT GLU A 14 24.936 8.188 -11.517 1.00 0.00 O ATOM 0 H GLU A 14 23.690 6.015 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 14 23.724 5.966 -11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.132 7.586 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.102 7.902 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.556 5.070 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.311 6.248 -10.005 1.00 0.00 H new ATOM 272 N CYS B 1 0.411 5.682 -0.482 1.00 0.00 N ATOM 273 CA CYS B 1 1.707 5.435 -1.180 1.00 0.00 C ATOM 274 C CYS B 1 2.851 5.419 -0.178 1.00 0.00 C ATOM 275 O CYS B 1 3.712 6.276 -0.181 1.00 0.00 O ATOM 276 CB CYS B 1 1.865 6.603 -2.150 1.00 0.00 C ATOM 277 SG CYS B 1 0.512 6.583 -3.351 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.278 6.072 -1.157 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.049 4.787 -0.095 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.558 6.360 0.293 1.00 0.00 H new ATOM 0 HA CYS B 1 1.720 4.473 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS B 1 1.865 7.546 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.823 6.534 -2.665 1.00 0.00 H new ATOM 284 N TYR B 2 2.868 4.443 0.673 1.00 0.00 N ATOM 285 CA TYR B 2 3.954 4.347 1.674 1.00 0.00 C ATOM 286 C TYR B 2 3.713 3.106 2.536 1.00 0.00 C ATOM 287 O TYR B 2 4.633 2.481 3.010 1.00 0.00 O ATOM 288 CB TYR B 2 3.877 5.661 2.476 1.00 0.00 C ATOM 289 CG TYR B 2 3.183 5.429 3.792 1.00 0.00 C ATOM 290 CD1 TYR B 2 3.827 4.702 4.793 1.00 0.00 C ATOM 291 CD2 TYR B 2 1.894 5.924 4.000 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.186 4.463 6.005 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.249 5.690 5.216 1.00 0.00 C ATOM 294 CZ TYR B 2 1.894 4.958 6.221 1.00 0.00 C ATOM 295 OH TYR B 2 1.257 4.722 7.423 1.00 0.00 O ATOM 0 H TYR B 2 2.170 3.701 0.719 1.00 0.00 H new ATOM 0 HA TYR B 2 4.949 4.235 1.243 1.00 0.00 H new ATOM 0 HB2 TYR B 2 4.881 6.049 2.650 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.339 6.415 1.901 1.00 0.00 H new ATOM 0 HD1 TYR B 2 4.825 4.324 4.627 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.398 6.486 3.223 1.00 0.00 H new ATOM 0 HE1 TYR B 2 3.684 3.897 6.778 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.253 6.073 5.382 1.00 0.00 H new ATOM 0 HH TYR B 2 0.368 5.135 7.409 1.00 0.00 H new ATOM 305 N LEU B 3 2.475 2.733 2.726 1.00 0.00 N ATOM 306 CA LEU B 3 2.189 1.518 3.530 1.00 0.00 C ATOM 307 C LEU B 3 3.126 0.423 3.059 1.00 0.00 C ATOM 308 O LEU B 3 4.039 0.021 3.752 1.00 0.00 O ATOM 309 CB LEU B 3 0.747 1.168 3.208 1.00 0.00 C ATOM 310 CG LEU B 3 -0.159 1.714 4.289 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.174 3.181 4.548 1.00 0.00 C ATOM 312 CD2 LEU B 3 -1.620 1.584 3.851 1.00 0.00 C ATOM 0 H LEU B 3 1.656 3.217 2.359 1.00 0.00 H new ATOM 0 HA LEU B 3 2.329 1.653 4.602 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.468 1.585 2.240 1.00 0.00 H new ATOM 0 HB3 LEU B 3 0.632 0.087 3.134 1.00 0.00 H new ATOM 0 HG LEU B 3 -0.008 1.145 5.207 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -0.481 3.571 5.327 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.212 3.267 4.870 1.00 0.00 H new ATOM 0 HD13 LEU B 3 0.029 3.754 3.632 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -2.270 1.978 4.632 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -1.775 2.147 2.931 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -1.856 0.534 3.678 1.00 0.00 H new ATOM 324 N ARG B 4 2.921 -0.030 1.857 1.00 0.00 N ATOM 325 CA ARG B 4 3.814 -1.065 1.292 1.00 0.00 C ATOM 326 C ARG B 4 5.261 -0.707 1.631 1.00 0.00 C ATOM 327 O ARG B 4 6.108 -1.565 1.758 1.00 0.00 O ATOM 328 CB ARG B 4 3.569 -1.010 -0.221 1.00 0.00 C ATOM 329 CG ARG B 4 4.001 0.355 -0.779 1.00 0.00 C ATOM 330 CD ARG B 4 2.871 1.374 -0.600 1.00 0.00 C ATOM 331 NE ARG B 4 3.172 2.464 -1.567 1.00 0.00 N ATOM 332 CZ ARG B 4 3.193 2.214 -2.849 1.00 0.00 C ATOM 333 NH1 ARG B 4 2.251 1.489 -3.387 1.00 0.00 N ATOM 334 NH2 ARG B 4 4.155 2.688 -3.590 1.00 0.00 N ATOM 0 H ARG B 4 2.168 0.276 1.241 1.00 0.00 H new ATOM 0 HA ARG B 4 3.625 -2.064 1.686 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.125 -1.806 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG B 4 2.513 -1.180 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG B 4 4.898 0.700 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG B 4 4.254 0.262 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG B 4 1.899 0.924 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG B 4 2.840 1.752 0.422 1.00 0.00 H new ATOM 0 HE ARG B 4 3.362 3.407 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG B 4 1.499 1.118 -2.807 1.00 0.00 H new ATOM 0 HH12 ARG B 4 2.267 1.293 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG B 4 4.892 3.254 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG B 4 4.171 2.493 -4.591 1.00 0.00 H new ATOM 348 N ARG B 5 5.548 0.562 1.790 1.00 0.00 N ATOM 349 CA ARG B 5 6.942 0.964 2.135 1.00 0.00 C ATOM 350 C ARG B 5 7.154 0.899 3.649 1.00 0.00 C ATOM 351 O ARG B 5 8.164 0.417 4.123 1.00 0.00 O ATOM 352 CB ARG B 5 7.095 2.388 1.619 1.00 0.00 C ATOM 353 CG ARG B 5 7.418 2.361 0.126 1.00 0.00 C ATOM 354 CD ARG B 5 6.602 3.445 -0.581 1.00 0.00 C ATOM 355 NE ARG B 5 7.160 4.732 -0.080 1.00 0.00 N ATOM 356 CZ ARG B 5 7.465 5.682 -0.921 1.00 0.00 C ATOM 357 NH1 ARG B 5 6.570 6.116 -1.766 1.00 0.00 N ATOM 358 NH2 ARG B 5 8.664 6.197 -0.918 1.00 0.00 N ATOM 0 H ARG B 5 4.882 1.329 1.696 1.00 0.00 H new ATOM 0 HA ARG B 5 7.683 0.300 1.689 1.00 0.00 H new ATOM 0 HB2 ARG B 5 6.177 2.949 1.792 1.00 0.00 H new ATOM 0 HB3 ARG B 5 7.889 2.899 2.164 1.00 0.00 H new ATOM 0 HG2 ARG B 5 8.483 2.529 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG B 5 7.185 1.382 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG B 5 6.697 3.368 -1.664 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.541 3.357 -0.347 1.00 0.00 H new ATOM 0 HE ARG B 5 7.304 4.871 0.920 1.00 0.00 H new ATOM 0 HH11 ARG B 5 5.633 5.713 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG B 5 6.807 6.859 -2.424 1.00 0.00 H new ATOM 0 HH21 ARG B 5 9.363 5.857 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG B 5 8.902 6.940 -1.576 1.00 0.00 H new ATOM 372 N PHE B 6 6.206 1.364 4.408 1.00 0.00 N ATOM 373 CA PHE B 6 6.340 1.316 5.889 1.00 0.00 C ATOM 374 C PHE B 6 6.149 -0.124 6.368 1.00 0.00 C ATOM 375 O PHE B 6 6.898 -0.629 7.181 1.00 0.00 O ATOM 376 CB PHE B 6 5.225 2.217 6.402 1.00 0.00 C ATOM 377 CG PHE B 6 4.815 1.829 7.789 1.00 0.00 C ATOM 378 CD1 PHE B 6 5.532 2.306 8.884 1.00 0.00 C ATOM 379 CD2 PHE B 6 3.708 1.004 7.977 1.00 0.00 C ATOM 380 CE1 PHE B 6 5.141 1.960 10.174 1.00 0.00 C ATOM 381 CE2 PHE B 6 3.314 0.654 9.265 1.00 0.00 C ATOM 382 CZ PHE B 6 4.030 1.131 10.369 1.00 0.00 C ATOM 0 H PHE B 6 5.339 1.778 4.066 1.00 0.00 H new ATOM 0 HA PHE B 6 7.317 1.643 6.245 1.00 0.00 H new ATOM 0 HB2 PHE B 6 5.559 3.255 6.395 1.00 0.00 H new ATOM 0 HB3 PHE B 6 4.366 2.154 5.734 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.390 2.944 8.732 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.156 0.637 7.124 1.00 0.00 H new ATOM 0 HE1 PHE B 6 5.694 2.331 11.024 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.456 0.015 9.413 1.00 0.00 H new ATOM 0 HZ PHE B 6 3.726 0.860 11.369 1.00 0.00 H new ATOM 392 N PHE B 7 5.144 -0.780 5.864 1.00 0.00 N ATOM 393 CA PHE B 7 4.883 -2.178 6.272 1.00 0.00 C ATOM 394 C PHE B 7 6.108 -3.048 6.008 1.00 0.00 C ATOM 395 O PHE B 7 6.615 -3.706 6.894 1.00 0.00 O ATOM 396 CB PHE B 7 3.705 -2.606 5.420 1.00 0.00 C ATOM 397 CG PHE B 7 2.494 -2.725 6.301 1.00 0.00 C ATOM 398 CD1 PHE B 7 2.602 -3.368 7.537 1.00 0.00 C ATOM 399 CD2 PHE B 7 1.268 -2.187 5.893 1.00 0.00 C ATOM 400 CE1 PHE B 7 1.488 -3.478 8.368 1.00 0.00 C ATOM 401 CE2 PHE B 7 0.149 -2.295 6.726 1.00 0.00 C ATOM 402 CZ PHE B 7 0.260 -2.942 7.965 1.00 0.00 C ATOM 0 H PHE B 7 4.489 -0.400 5.181 1.00 0.00 H new ATOM 0 HA PHE B 7 4.670 -2.275 7.337 1.00 0.00 H new ATOM 0 HB2 PHE B 7 3.527 -1.878 4.628 1.00 0.00 H new ATOM 0 HB3 PHE B 7 3.915 -3.559 4.935 1.00 0.00 H new ATOM 0 HD1 PHE B 7 3.550 -3.780 7.849 1.00 0.00 H new ATOM 0 HD2 PHE B 7 1.186 -1.690 4.938 1.00 0.00 H new ATOM 0 HE1 PHE B 7 1.573 -3.977 9.322 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -0.799 -1.881 6.415 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.603 -3.027 8.609 1.00 0.00 H new ATOM 412 N LYS B 8 6.604 -3.045 4.803 1.00 0.00 N ATOM 413 CA LYS B 8 7.806 -3.858 4.502 1.00 0.00 C ATOM 414 C LYS B 8 8.928 -3.495 5.473 1.00 0.00 C ATOM 415 O LYS B 8 9.884 -4.224 5.637 1.00 0.00 O ATOM 416 CB LYS B 8 8.186 -3.490 3.080 1.00 0.00 C ATOM 417 CG LYS B 8 8.088 -4.725 2.183 1.00 0.00 C ATOM 418 CD LYS B 8 8.459 -4.343 0.749 1.00 0.00 C ATOM 419 CE LYS B 8 7.182 -4.102 -0.060 1.00 0.00 C ATOM 420 NZ LYS B 8 7.637 -3.410 -1.297 1.00 0.00 N ATOM 0 H LYS B 8 6.227 -2.515 4.017 1.00 0.00 H new ATOM 0 HA LYS B 8 7.625 -4.928 4.604 1.00 0.00 H new ATOM 0 HB2 LYS B 8 7.526 -2.706 2.709 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.200 -3.091 3.056 1.00 0.00 H new ATOM 0 HG2 LYS B 8 8.755 -5.506 2.547 1.00 0.00 H new ATOM 0 HG3 LYS B 8 7.077 -5.130 2.213 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.078 -3.446 0.749 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.049 -5.137 0.291 1.00 0.00 H new ATOM 0 HE2 LYS B 8 6.680 -5.041 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS B 8 6.471 -3.491 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.817 -3.210 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 8.105 -2.517 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 8.307 -4.019 -1.809 1.00 0.00 H new ATOM 434 N ALA B 9 8.811 -2.369 6.125 1.00 0.00 N ATOM 435 CA ALA B 9 9.855 -1.953 7.088 1.00 0.00 C ATOM 436 C ALA B 9 9.555 -2.560 8.455 1.00 0.00 C ATOM 437 O ALA B 9 10.443 -2.917 9.201 1.00 0.00 O ATOM 438 CB ALA B 9 9.757 -0.429 7.150 1.00 0.00 C ATOM 0 H ALA B 9 8.030 -1.720 6.027 1.00 0.00 H new ATOM 0 HA ALA B 9 10.852 -2.281 6.793 1.00 0.00 H new ATOM 0 HB1 ALA B 9 10.502 -0.044 7.846 1.00 0.00 H new ATOM 0 HB2 ALA B 9 9.937 -0.012 6.159 1.00 0.00 H new ATOM 0 HB3 ALA B 9 8.762 -0.142 7.489 1.00 0.00 H new ATOM 444 N LYS B 10 8.300 -2.676 8.777 1.00 0.00 N ATOM 445 CA LYS B 10 7.903 -3.251 10.071 1.00 0.00 C ATOM 446 C LYS B 10 8.246 -4.741 10.115 1.00 0.00 C ATOM 447 O LYS B 10 9.023 -5.185 10.934 1.00 0.00 O ATOM 448 CB LYS B 10 6.407 -3.028 10.108 1.00 0.00 C ATOM 449 CG LYS B 10 5.996 -2.549 11.495 1.00 0.00 C ATOM 450 CD LYS B 10 5.211 -3.654 12.190 1.00 0.00 C ATOM 451 CE LYS B 10 3.713 -3.423 11.979 1.00 0.00 C ATOM 452 NZ LYS B 10 3.230 -2.846 13.265 1.00 0.00 N ATOM 0 H LYS B 10 7.524 -2.389 8.181 1.00 0.00 H new ATOM 0 HA LYS B 10 8.413 -2.802 10.923 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.120 -2.291 9.358 1.00 0.00 H new ATOM 0 HB3 LYS B 10 5.885 -3.953 9.862 1.00 0.00 H new ATOM 0 HG2 LYS B 10 6.878 -2.289 12.080 1.00 0.00 H new ATOM 0 HG3 LYS B 10 5.388 -1.648 11.417 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.500 -4.626 11.791 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.442 -3.665 13.255 1.00 0.00 H new ATOM 0 HE2 LYS B 10 3.531 -2.742 11.147 1.00 0.00 H new ATOM 0 HE3 LYS B 10 3.198 -4.355 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 2.209 -2.659 13.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.410 -3.519 14.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.733 -1.956 13.457 1.00 0.00 H new ATOM 466 N LYS B 11 7.679 -5.519 9.235 1.00 0.00 N ATOM 467 CA LYS B 11 7.982 -6.974 9.236 1.00 0.00 C ATOM 468 C LYS B 11 9.497 -7.203 9.225 1.00 0.00 C ATOM 469 O LYS B 11 9.975 -8.270 9.557 1.00 0.00 O ATOM 470 CB LYS B 11 7.345 -7.513 7.953 1.00 0.00 C ATOM 471 CG LYS B 11 5.966 -8.096 8.271 1.00 0.00 C ATOM 472 CD LYS B 11 6.126 -9.406 9.046 1.00 0.00 C ATOM 473 CE LYS B 11 4.990 -10.364 8.674 1.00 0.00 C ATOM 474 NZ LYS B 11 5.329 -11.646 9.352 1.00 0.00 N ATOM 0 H LYS B 11 7.022 -5.210 8.519 1.00 0.00 H new ATOM 0 HA LYS B 11 7.595 -7.475 10.124 1.00 0.00 H new ATOM 0 HB2 LYS B 11 7.253 -6.714 7.217 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.983 -8.280 7.513 1.00 0.00 H new ATOM 0 HG2 LYS B 11 5.386 -7.384 8.858 1.00 0.00 H new ATOM 0 HG3 LYS B 11 5.414 -8.273 7.348 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.089 -9.861 8.816 1.00 0.00 H new ATOM 0 HD3 LYS B 11 6.114 -9.210 10.118 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.026 -9.983 9.010 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.922 -10.495 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.596 -12.353 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 6.248 -11.989 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 5.380 -11.492 10.379 1.00 0.00 H new ATOM 488 N LEU B 12 10.257 -6.215 8.833 1.00 0.00 N ATOM 489 CA LEU B 12 11.730 -6.380 8.787 1.00 0.00 C ATOM 490 C LEU B 12 12.370 -6.074 10.147 1.00 0.00 C ATOM 491 O LEU B 12 13.568 -6.184 10.313 1.00 0.00 O ATOM 492 CB LEU B 12 12.203 -5.387 7.728 1.00 0.00 C ATOM 493 CG LEU B 12 11.865 -5.936 6.343 1.00 0.00 C ATOM 494 CD1 LEU B 12 12.423 -5.000 5.269 1.00 0.00 C ATOM 495 CD2 LEU B 12 12.487 -7.324 6.184 1.00 0.00 C ATOM 0 H LEU B 12 9.915 -5.299 8.543 1.00 0.00 H new ATOM 0 HA LEU B 12 12.014 -7.405 8.548 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.722 -4.420 7.877 1.00 0.00 H new ATOM 0 HB3 LEU B 12 13.277 -5.226 7.817 1.00 0.00 H new ATOM 0 HG LEU B 12 10.783 -6.005 6.233 1.00 0.00 H new ATOM 0 HD11 LEU B 12 12.181 -5.394 4.282 1.00 0.00 H new ATOM 0 HD12 LEU B 12 11.981 -4.010 5.384 1.00 0.00 H new ATOM 0 HD13 LEU B 12 13.505 -4.928 5.375 1.00 0.00 H new ATOM 0 HD21 LEU B 12 12.248 -7.719 5.197 1.00 0.00 H new ATOM 0 HD22 LEU B 12 13.569 -7.253 6.294 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.088 -7.991 6.948 1.00 0.00 H new ATOM 507 N ILE B 13 11.590 -5.697 11.125 1.00 0.00 N ATOM 508 CA ILE B 13 12.183 -5.398 12.465 1.00 0.00 C ATOM 509 C ILE B 13 11.124 -5.417 13.550 1.00 0.00 C ATOM 510 O ILE B 13 11.029 -4.522 14.366 1.00 0.00 O ATOM 511 CB ILE B 13 12.822 -4.008 12.362 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.991 -3.089 11.464 1.00 0.00 C ATOM 513 CG2 ILE B 13 14.234 -4.134 11.790 1.00 0.00 C ATOM 514 CD1 ILE B 13 11.443 -1.929 12.295 1.00 0.00 C ATOM 0 H ILE B 13 10.579 -5.583 11.058 1.00 0.00 H new ATOM 0 HA ILE B 13 12.921 -6.153 12.734 1.00 0.00 H new ATOM 0 HB ILE B 13 12.862 -3.574 13.361 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.604 -2.708 10.647 1.00 0.00 H new ATOM 0 HG13 ILE B 13 11.171 -3.647 11.013 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.687 -3.145 11.717 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.837 -4.762 12.445 1.00 0.00 H new ATOM 0 HG23 ILE B 13 14.186 -4.585 10.799 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.851 -1.273 11.657 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.816 -2.320 13.096 1.00 0.00 H new ATOM 0 HD13 ILE B 13 12.272 -1.366 12.725 1.00 0.00 H new ATOM 526 N GLU B 14 10.321 -6.430 13.557 1.00 0.00 N ATOM 527 CA GLU B 14 9.253 -6.532 14.562 1.00 0.00 C ATOM 528 C GLU B 14 9.205 -7.941 15.158 1.00 0.00 C ATOM 529 O GLU B 14 8.111 -8.437 15.368 1.00 0.00 O ATOM 530 CB GLU B 14 8.007 -6.235 13.757 1.00 0.00 C ATOM 531 CG GLU B 14 8.079 -4.794 13.265 1.00 0.00 C ATOM 532 CD GLU B 14 7.492 -3.857 14.321 1.00 0.00 C ATOM 533 OE1 GLU B 14 6.748 -4.337 15.162 1.00 0.00 O ATOM 534 OE2 GLU B 14 7.796 -2.677 14.273 1.00 0.00 O ATOM 535 OXT GLU B 14 10.265 -8.500 15.393 1.00 0.00 O ATOM 0 H GLU B 14 10.363 -7.205 12.895 1.00 0.00 H new ATOM 0 HA GLU B 14 9.385 -5.860 15.410 1.00 0.00 H new ATOM 0 HB2 GLU B 14 7.930 -6.920 12.913 1.00 0.00 H new ATOM 0 HB3 GLU B 14 7.117 -6.382 14.369 1.00 0.00 H new ATOM 0 HG2 GLU B 14 9.114 -4.522 13.059 1.00 0.00 H new ATOM 0 HG3 GLU B 14 7.530 -4.692 12.329 1.00 0.00 H new ATOM 543 N CYS C 1 24.940 -3.369 9.926 1.00 0.00 N ATOM 544 CA CYS C 1 24.199 -3.095 8.661 1.00 0.00 C ATOM 545 C CYS C 1 22.722 -2.915 8.940 1.00 0.00 C ATOM 546 O CYS C 1 21.880 -3.525 8.311 1.00 0.00 O ATOM 547 CB CYS C 1 24.449 -4.314 7.774 1.00 0.00 C ATOM 548 SG CYS C 1 26.179 -4.327 7.242 1.00 0.00 S ATOM 0 H1 CYS C 1 25.813 -3.891 9.711 1.00 0.00 H new ATOM 0 H2 CYS C 1 25.180 -2.469 10.390 1.00 0.00 H new ATOM 0 H3 CYS C 1 24.344 -3.938 10.561 1.00 0.00 H new ATOM 0 HA CYS C 1 24.535 -2.176 8.180 1.00 0.00 H new ATOM 0 HB2 CYS C 1 24.218 -5.228 8.321 1.00 0.00 H new ATOM 0 HB3 CYS C 1 23.790 -4.287 6.906 1.00 0.00 H new ATOM 0 HG CYS C 1 26.394 -5.365 6.489 1.00 0.00 H new ATOM 555 N TYR C 2 22.395 -2.059 9.857 1.00 0.00 N ATOM 556 CA TYR C 2 20.989 -1.817 10.145 1.00 0.00 C ATOM 557 C TYR C 2 20.846 -0.391 10.614 1.00 0.00 C ATOM 558 O TYR C 2 21.624 0.452 10.234 1.00 0.00 O ATOM 559 CB TYR C 2 20.623 -2.815 11.229 1.00 0.00 C ATOM 560 CG TYR C 2 19.424 -3.561 10.753 1.00 0.00 C ATOM 561 CD1 TYR C 2 18.416 -2.861 10.094 1.00 0.00 C ATOM 562 CD2 TYR C 2 19.319 -4.934 10.950 1.00 0.00 C ATOM 563 CE1 TYR C 2 17.297 -3.531 9.631 1.00 0.00 C ATOM 564 CE2 TYR C 2 18.194 -5.614 10.484 1.00 0.00 C ATOM 565 CZ TYR C 2 17.177 -4.913 9.821 1.00 0.00 C ATOM 566 OH TYR C 2 16.062 -5.581 9.361 1.00 0.00 O ATOM 0 H TYR C 2 23.055 -1.519 10.416 1.00 0.00 H new ATOM 0 HA TYR C 2 20.333 -1.944 9.284 1.00 0.00 H new ATOM 0 HB2 TYR C 2 21.451 -3.498 11.419 1.00 0.00 H new ATOM 0 HB3 TYR C 2 20.410 -2.303 12.168 1.00 0.00 H new ATOM 0 HD1 TYR C 2 18.508 -1.795 9.944 1.00 0.00 H new ATOM 0 HD2 TYR C 2 20.105 -5.471 11.461 1.00 0.00 H new ATOM 0 HE1 TYR C 2 16.515 -2.987 9.122 1.00 0.00 H new ATOM 0 HE2 TYR C 2 18.106 -6.680 10.634 1.00 0.00 H new ATOM 0 HH TYR C 2 15.787 -6.252 10.020 1.00 0.00 H new ATOM 576 N LEU C 3 19.883 -0.111 11.429 1.00 0.00 N ATOM 577 CA LEU C 3 19.716 1.278 11.910 1.00 0.00 C ATOM 578 C LEU C 3 19.476 2.206 10.720 1.00 0.00 C ATOM 579 O LEU C 3 18.372 2.646 10.476 1.00 0.00 O ATOM 580 CB LEU C 3 21.021 1.603 12.600 1.00 0.00 C ATOM 581 CG LEU C 3 21.142 0.870 13.934 1.00 0.00 C ATOM 582 CD1 LEU C 3 20.258 -0.381 14.018 1.00 0.00 C ATOM 583 CD2 LEU C 3 22.595 0.457 14.130 1.00 0.00 C ATOM 0 H LEU C 3 19.203 -0.782 11.785 1.00 0.00 H new ATOM 0 HA LEU C 3 18.866 1.399 12.582 1.00 0.00 H new ATOM 0 HB2 LEU C 3 21.855 1.327 11.954 1.00 0.00 H new ATOM 0 HB3 LEU C 3 21.089 2.678 12.766 1.00 0.00 H new ATOM 0 HG LEU C 3 20.805 1.554 14.713 1.00 0.00 H new ATOM 0 HD11 LEU C 3 20.390 -0.855 14.990 1.00 0.00 H new ATOM 0 HD12 LEU C 3 19.213 -0.097 13.892 1.00 0.00 H new ATOM 0 HD13 LEU C 3 20.541 -1.080 13.231 1.00 0.00 H new ATOM 0 HD21 LEU C 3 22.699 -0.068 15.079 1.00 0.00 H new ATOM 0 HD22 LEU C 3 22.899 -0.201 13.316 1.00 0.00 H new ATOM 0 HD23 LEU C 3 23.228 1.344 14.135 1.00 0.00 H new ATOM 595 N ARG C 4 20.499 2.486 9.959 1.00 0.00 N ATOM 596 CA ARG C 4 20.315 3.357 8.772 1.00 0.00 C ATOM 597 C ARG C 4 19.219 2.773 7.896 1.00 0.00 C ATOM 598 O ARG C 4 18.426 3.483 7.314 1.00 0.00 O ATOM 599 CB ARG C 4 21.659 3.347 8.038 1.00 0.00 C ATOM 600 CG ARG C 4 22.043 1.913 7.654 1.00 0.00 C ATOM 601 CD ARG C 4 21.505 1.582 6.260 1.00 0.00 C ATOM 602 NE ARG C 4 22.537 0.706 5.649 1.00 0.00 N ATOM 603 CZ ARG C 4 23.470 1.223 4.897 1.00 0.00 C ATOM 604 NH1 ARG C 4 23.208 1.544 3.658 1.00 0.00 N ATOM 605 NH2 ARG C 4 24.665 1.418 5.382 1.00 0.00 N ATOM 0 H ARG C 4 21.450 2.149 10.110 1.00 0.00 H new ATOM 0 HA ARG C 4 20.024 4.373 9.038 1.00 0.00 H new ATOM 0 HB2 ARG C 4 21.597 3.967 7.143 1.00 0.00 H new ATOM 0 HB3 ARG C 4 22.432 3.780 8.673 1.00 0.00 H new ATOM 0 HG2 ARG C 4 23.127 1.801 7.670 1.00 0.00 H new ATOM 0 HG3 ARG C 4 21.639 1.212 8.384 1.00 0.00 H new ATOM 0 HD2 ARG C 4 20.542 1.076 6.319 1.00 0.00 H new ATOM 0 HD3 ARG C 4 21.355 2.486 5.670 1.00 0.00 H new ATOM 0 HE ARG C 4 22.517 -0.300 5.817 1.00 0.00 H new ATOM 0 HH11 ARG C 4 22.274 1.391 3.278 1.00 0.00 H new ATOM 0 HH12 ARG C 4 23.938 1.948 3.071 1.00 0.00 H new ATOM 0 HH21 ARG C 4 24.870 1.166 6.349 1.00 0.00 H new ATOM 0 HH22 ARG C 4 25.394 1.822 4.794 1.00 0.00 H new ATOM 619 N ARG C 5 19.168 1.476 7.802 1.00 0.00 N ATOM 620 CA ARG C 5 18.120 0.834 6.971 1.00 0.00 C ATOM 621 C ARG C 5 16.820 0.767 7.770 1.00 0.00 C ATOM 622 O ARG C 5 15.736 0.782 7.224 1.00 0.00 O ATOM 623 CB ARG C 5 18.665 -0.554 6.687 1.00 0.00 C ATOM 624 CG ARG C 5 17.692 -1.343 5.822 1.00 0.00 C ATOM 625 CD ARG C 5 16.876 -2.247 6.730 1.00 0.00 C ATOM 626 NE ARG C 5 15.555 -1.580 6.811 1.00 0.00 N ATOM 627 CZ ARG C 5 14.518 -2.217 7.280 1.00 0.00 C ATOM 628 NH1 ARG C 5 14.345 -2.321 8.569 1.00 0.00 N ATOM 629 NH2 ARG C 5 13.648 -2.745 6.463 1.00 0.00 N ATOM 0 H ARG C 5 19.809 0.833 8.266 1.00 0.00 H new ATOM 0 HA ARG C 5 17.900 1.374 6.050 1.00 0.00 H new ATOM 0 HB2 ARG C 5 19.628 -0.477 6.183 1.00 0.00 H new ATOM 0 HB3 ARG C 5 18.838 -1.082 7.625 1.00 0.00 H new ATOM 0 HG2 ARG C 5 17.038 -0.667 5.272 1.00 0.00 H new ATOM 0 HG3 ARG C 5 18.233 -1.934 5.083 1.00 0.00 H new ATOM 0 HD2 ARG C 5 16.790 -3.253 6.319 1.00 0.00 H new ATOM 0 HD3 ARG C 5 17.335 -2.343 7.714 1.00 0.00 H new ATOM 0 HE ARG C 5 15.456 -0.615 6.497 1.00 0.00 H new ATOM 0 HH11 ARG C 5 15.021 -1.904 9.210 1.00 0.00 H new ATOM 0 HH12 ARG C 5 13.534 -2.819 8.936 1.00 0.00 H new ATOM 0 HH21 ARG C 5 13.778 -2.660 5.455 1.00 0.00 H new ATOM 0 HH22 ARG C 5 12.838 -3.243 6.833 1.00 0.00 H new ATOM 643 N PHE C 6 16.930 0.703 9.069 1.00 0.00 N ATOM 644 CA PHE C 6 15.717 0.635 9.927 1.00 0.00 C ATOM 645 C PHE C 6 15.175 2.043 10.216 1.00 0.00 C ATOM 646 O PHE C 6 14.026 2.336 9.954 1.00 0.00 O ATOM 647 CB PHE C 6 16.195 -0.052 11.204 1.00 0.00 C ATOM 648 CG PHE C 6 15.394 0.399 12.383 1.00 0.00 C ATOM 649 CD1 PHE C 6 14.134 -0.147 12.612 1.00 0.00 C ATOM 650 CD2 PHE C 6 15.919 1.353 13.248 1.00 0.00 C ATOM 651 CE1 PHE C 6 13.392 0.263 13.715 1.00 0.00 C ATOM 652 CE2 PHE C 6 15.180 1.769 14.353 1.00 0.00 C ATOM 653 CZ PHE C 6 13.912 1.224 14.591 1.00 0.00 C ATOM 0 H PHE C 6 17.816 0.695 9.575 1.00 0.00 H new ATOM 0 HA PHE C 6 14.897 0.094 9.454 1.00 0.00 H new ATOM 0 HB2 PHE C 6 16.111 -1.133 11.094 1.00 0.00 H new ATOM 0 HB3 PHE C 6 17.249 0.170 11.369 1.00 0.00 H new ATOM 0 HD1 PHE C 6 13.734 -0.887 11.935 1.00 0.00 H new ATOM 0 HD2 PHE C 6 16.898 1.771 13.063 1.00 0.00 H new ATOM 0 HE1 PHE C 6 12.415 -0.160 13.896 1.00 0.00 H new ATOM 0 HE2 PHE C 6 15.584 2.511 15.026 1.00 0.00 H new ATOM 0 HZ PHE C 6 13.337 1.544 15.447 1.00 0.00 H new ATOM 663 N PHE C 7 15.984 2.909 10.770 1.00 0.00 N ATOM 664 CA PHE C 7 15.493 4.274 11.085 1.00 0.00 C ATOM 665 C PHE C 7 15.137 5.026 9.797 1.00 0.00 C ATOM 666 O PHE C 7 14.381 5.977 9.816 1.00 0.00 O ATOM 667 CB PHE C 7 16.635 4.942 11.876 1.00 0.00 C ATOM 668 CG PHE C 7 17.459 5.871 11.010 1.00 0.00 C ATOM 669 CD1 PHE C 7 16.898 7.052 10.508 1.00 0.00 C ATOM 670 CD2 PHE C 7 18.794 5.555 10.727 1.00 0.00 C ATOM 671 CE1 PHE C 7 17.671 7.917 9.723 1.00 0.00 C ATOM 672 CE2 PHE C 7 19.565 6.419 9.941 1.00 0.00 C ATOM 673 CZ PHE C 7 19.004 7.599 9.438 1.00 0.00 C ATOM 0 H PHE C 7 16.957 2.727 11.015 1.00 0.00 H new ATOM 0 HA PHE C 7 14.576 4.269 11.674 1.00 0.00 H new ATOM 0 HB2 PHE C 7 16.217 5.502 12.712 1.00 0.00 H new ATOM 0 HB3 PHE C 7 17.281 4.173 12.299 1.00 0.00 H new ATOM 0 HD1 PHE C 7 15.869 7.296 10.726 1.00 0.00 H new ATOM 0 HD2 PHE C 7 19.228 4.645 11.115 1.00 0.00 H new ATOM 0 HE1 PHE C 7 17.239 8.829 9.338 1.00 0.00 H new ATOM 0 HE2 PHE C 7 20.594 6.175 9.722 1.00 0.00 H new ATOM 0 HZ PHE C 7 19.600 8.264 8.830 1.00 0.00 H new ATOM 683 N LYS C 8 15.663 4.608 8.678 1.00 0.00 N ATOM 684 CA LYS C 8 15.335 5.302 7.408 1.00 0.00 C ATOM 685 C LYS C 8 13.829 5.236 7.155 1.00 0.00 C ATOM 686 O LYS C 8 13.180 6.238 6.929 1.00 0.00 O ATOM 687 CB LYS C 8 16.091 4.551 6.326 1.00 0.00 C ATOM 688 CG LYS C 8 17.274 5.395 5.848 1.00 0.00 C ATOM 689 CD LYS C 8 17.875 4.770 4.588 1.00 0.00 C ATOM 690 CE LYS C 8 19.396 4.679 4.741 1.00 0.00 C ATOM 691 NZ LYS C 8 19.938 5.726 3.831 1.00 0.00 N ATOM 0 H LYS C 8 16.303 3.819 8.592 1.00 0.00 H new ATOM 0 HA LYS C 8 15.614 6.355 7.431 1.00 0.00 H new ATOM 0 HB2 LYS C 8 16.445 3.595 6.712 1.00 0.00 H new ATOM 0 HB3 LYS C 8 15.427 4.331 5.490 1.00 0.00 H new ATOM 0 HG2 LYS C 8 16.946 6.414 5.640 1.00 0.00 H new ATOM 0 HG3 LYS C 8 18.030 5.457 6.631 1.00 0.00 H new ATOM 0 HD2 LYS C 8 17.455 3.778 4.425 1.00 0.00 H new ATOM 0 HD3 LYS C 8 17.622 5.371 3.714 1.00 0.00 H new ATOM 0 HE2 LYS C 8 19.700 4.857 5.773 1.00 0.00 H new ATOM 0 HE3 LYS C 8 19.762 3.690 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 20.977 5.725 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 19.638 5.527 2.855 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 19.578 6.658 4.121 1.00 0.00 H new ATOM 705 N ALA C 9 13.266 4.058 7.203 1.00 0.00 N ATOM 706 CA ALA C 9 11.807 3.920 6.980 1.00 0.00 C ATOM 707 C ALA C 9 11.056 4.566 8.141 1.00 0.00 C ATOM 708 O ALA C 9 9.902 4.931 8.030 1.00 0.00 O ATOM 709 CB ALA C 9 11.546 2.415 6.944 1.00 0.00 C ATOM 0 H ALA C 9 13.760 3.185 7.388 1.00 0.00 H new ATOM 0 HA ALA C 9 11.475 4.405 6.062 1.00 0.00 H new ATOM 0 HB1 ALA C 9 10.483 2.234 6.782 1.00 0.00 H new ATOM 0 HB2 ALA C 9 12.119 1.966 6.133 1.00 0.00 H new ATOM 0 HB3 ALA C 9 11.849 1.970 7.892 1.00 0.00 H new ATOM 715 N LYS C 10 11.714 4.709 9.258 1.00 0.00 N ATOM 716 CA LYS C 10 11.072 5.325 10.435 1.00 0.00 C ATOM 717 C LYS C 10 10.846 6.814 10.194 1.00 0.00 C ATOM 718 O LYS C 10 9.725 7.276 10.140 1.00 0.00 O ATOM 719 CB LYS C 10 12.068 5.099 11.555 1.00 0.00 C ATOM 720 CG LYS C 10 11.321 4.787 12.851 1.00 0.00 C ATOM 721 CD LYS C 10 11.278 3.272 13.061 1.00 0.00 C ATOM 722 CE LYS C 10 9.894 2.867 13.579 1.00 0.00 C ATOM 723 NZ LYS C 10 9.876 1.377 13.511 1.00 0.00 N ATOM 0 H LYS C 10 12.682 4.419 9.399 1.00 0.00 H new ATOM 0 HA LYS C 10 10.094 4.900 10.660 1.00 0.00 H new ATOM 0 HB2 LYS C 10 12.735 4.275 11.301 1.00 0.00 H new ATOM 0 HB3 LYS C 10 12.690 5.984 11.686 1.00 0.00 H new ATOM 0 HG2 LYS C 10 11.817 5.268 13.694 1.00 0.00 H new ATOM 0 HG3 LYS C 10 10.308 5.188 12.806 1.00 0.00 H new ATOM 0 HD2 LYS C 10 11.492 2.758 12.124 1.00 0.00 H new ATOM 0 HD3 LYS C 10 12.047 2.971 13.773 1.00 0.00 H new ATOM 0 HE2 LYS C 10 9.737 3.217 14.599 1.00 0.00 H new ATOM 0 HE3 LYS C 10 9.102 3.299 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 9.327 1.000 14.310 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 9.439 1.076 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 10.850 1.016 13.559 1.00 0.00 H new ATOM 737 N LYS C 11 11.899 7.572 10.047 1.00 0.00 N ATOM 738 CA LYS C 11 11.734 9.031 9.805 1.00 0.00 C ATOM 739 C LYS C 11 10.608 9.262 8.794 1.00 0.00 C ATOM 740 O LYS C 11 9.954 10.287 8.796 1.00 0.00 O ATOM 741 CB LYS C 11 13.076 9.491 9.233 1.00 0.00 C ATOM 742 CG LYS C 11 14.122 9.541 10.350 1.00 0.00 C ATOM 743 CD LYS C 11 14.139 10.939 10.972 1.00 0.00 C ATOM 744 CE LYS C 11 15.398 11.682 10.519 1.00 0.00 C ATOM 745 NZ LYS C 11 14.899 12.850 9.739 1.00 0.00 N ATOM 0 H LYS C 11 12.864 7.243 10.084 1.00 0.00 H new ATOM 0 HA LYS C 11 11.472 9.580 10.710 1.00 0.00 H new ATOM 0 HB2 LYS C 11 13.401 8.809 8.448 1.00 0.00 H new ATOM 0 HB3 LYS C 11 12.970 10.475 8.776 1.00 0.00 H new ATOM 0 HG2 LYS C 11 13.892 8.796 11.111 1.00 0.00 H new ATOM 0 HG3 LYS C 11 15.107 9.297 9.952 1.00 0.00 H new ATOM 0 HD2 LYS C 11 13.249 11.493 10.673 1.00 0.00 H new ATOM 0 HD3 LYS C 11 14.118 10.866 12.059 1.00 0.00 H new ATOM 0 HE2 LYS C 11 15.995 12.004 11.373 1.00 0.00 H new ATOM 0 HE3 LYS C 11 16.035 11.043 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 15.706 13.408 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 14.340 12.513 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 14.302 13.445 10.348 1.00 0.00 H new ATOM 759 N LEU C 12 10.385 8.314 7.924 1.00 0.00 N ATOM 760 CA LEU C 12 9.315 8.463 6.907 1.00 0.00 C ATOM 761 C LEU C 12 7.929 8.418 7.561 1.00 0.00 C ATOM 762 O LEU C 12 6.936 8.752 6.946 1.00 0.00 O ATOM 763 CB LEU C 12 9.498 7.273 5.964 1.00 0.00 C ATOM 764 CG LEU C 12 10.820 7.415 5.209 1.00 0.00 C ATOM 765 CD1 LEU C 12 10.891 6.363 4.100 1.00 0.00 C ATOM 766 CD2 LEU C 12 10.905 8.811 4.589 1.00 0.00 C ATOM 0 H LEU C 12 10.905 7.437 7.877 1.00 0.00 H new ATOM 0 HA LEU C 12 9.381 9.418 6.386 1.00 0.00 H new ATOM 0 HB2 LEU C 12 9.490 6.342 6.531 1.00 0.00 H new ATOM 0 HB3 LEU C 12 8.668 7.224 5.259 1.00 0.00 H new ATOM 0 HG LEU C 12 11.650 7.271 5.901 1.00 0.00 H new ATOM 0 HD11 LEU C 12 11.834 6.465 3.562 1.00 0.00 H new ATOM 0 HD12 LEU C 12 10.829 5.367 4.539 1.00 0.00 H new ATOM 0 HD13 LEU C 12 10.061 6.507 3.408 1.00 0.00 H new ATOM 0 HD21 LEU C 12 11.847 8.913 4.051 1.00 0.00 H new ATOM 0 HD22 LEU C 12 10.075 8.953 3.897 1.00 0.00 H new ATOM 0 HD23 LEU C 12 10.854 9.563 5.377 1.00 0.00 H new ATOM 778 N ILE C 13 7.848 8.012 8.800 1.00 0.00 N ATOM 779 CA ILE C 13 6.515 7.954 9.472 1.00 0.00 C ATOM 780 C ILE C 13 6.629 8.294 10.949 1.00 0.00 C ATOM 781 O ILE C 13 6.107 7.610 11.806 1.00 0.00 O ATOM 782 CB ILE C 13 6.001 6.525 9.293 1.00 0.00 C ATOM 783 CG1 ILE C 13 7.137 5.513 9.453 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.378 6.374 7.905 1.00 0.00 C ATOM 785 CD1 ILE C 13 6.918 4.701 10.731 1.00 0.00 C ATOM 0 H ILE C 13 8.640 7.720 9.373 1.00 0.00 H new ATOM 0 HA ILE C 13 5.832 8.681 9.034 1.00 0.00 H new ATOM 0 HB ILE C 13 5.251 6.330 10.060 1.00 0.00 H new ATOM 0 HG12 ILE C 13 7.172 4.849 8.589 1.00 0.00 H new ATOM 0 HG13 ILE C 13 8.096 6.030 9.497 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.012 5.355 7.779 1.00 0.00 H new ATOM 0 HG22 ILE C 13 4.548 7.073 7.801 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.129 6.586 7.144 1.00 0.00 H new ATOM 0 HD11 ILE C 13 7.727 3.979 10.847 1.00 0.00 H new ATOM 0 HD12 ILE C 13 6.904 5.372 11.590 1.00 0.00 H new ATOM 0 HD13 ILE C 13 5.967 4.173 10.668 1.00 0.00 H new ATOM 797 N GLU C 14 7.316 9.345 11.244 1.00 0.00 N ATOM 798 CA GLU C 14 7.495 9.758 12.642 1.00 0.00 C ATOM 799 C GLU C 14 7.093 11.224 12.827 1.00 0.00 C ATOM 800 O GLU C 14 6.422 11.748 11.954 1.00 0.00 O ATOM 801 CB GLU C 14 8.979 9.564 12.856 1.00 0.00 C ATOM 802 CG GLU C 14 9.311 8.090 12.654 1.00 0.00 C ATOM 803 CD GLU C 14 9.521 7.418 14.012 1.00 0.00 C ATOM 804 OE1 GLU C 14 10.358 7.894 14.762 1.00 0.00 O ATOM 805 OE2 GLU C 14 8.843 6.439 14.279 1.00 0.00 O ATOM 806 OXT GLU C 14 7.463 11.796 13.840 1.00 0.00 O ATOM 0 H GLU C 14 7.771 9.948 10.558 1.00 0.00 H new ATOM 0 HA GLU C 14 6.883 9.197 13.348 1.00 0.00 H new ATOM 0 HB2 GLU C 14 9.546 10.179 12.157 1.00 0.00 H new ATOM 0 HB3 GLU C 14 9.261 9.881 13.860 1.00 0.00 H new ATOM 0 HG2 GLU C 14 8.503 7.596 12.114 1.00 0.00 H new ATOM 0 HG3 GLU C 14 10.209 7.990 12.045 1.00 0.00 H new ATOM 826 N TYR D 2 24.343 -2.939 1.121 1.00 0.00 N ATOM 827 CA TYR D 2 23.274 -2.196 0.422 1.00 0.00 C ATOM 828 C TYR D 2 22.933 -2.955 -0.867 1.00 0.00 C ATOM 829 O TYR D 2 21.875 -2.796 -1.440 1.00 0.00 O ATOM 830 CB TYR D 2 23.873 -0.809 0.142 1.00 0.00 C ATOM 831 CG TYR D 2 24.545 -0.816 -1.203 1.00 0.00 C ATOM 832 CD1 TYR D 2 23.769 -0.751 -2.361 1.00 0.00 C ATOM 833 CD2 TYR D 2 25.933 -0.918 -1.287 1.00 0.00 C ATOM 834 CE1 TYR D 2 24.380 -0.785 -3.611 1.00 0.00 C ATOM 835 CE2 TYR D 2 26.551 -0.949 -2.538 1.00 0.00 C ATOM 836 CZ TYR D 2 25.775 -0.883 -3.704 1.00 0.00 C ATOM 837 OH TYR D 2 26.384 -0.918 -4.943 1.00 0.00 O ATOM 0 HA TYR D 2 22.350 -2.098 0.992 1.00 0.00 H new ATOM 0 HB2 TYR D 2 23.090 -0.051 0.165 1.00 0.00 H new ATOM 0 HB3 TYR D 2 24.592 -0.548 0.918 1.00 0.00 H new ATOM 0 HD1 TYR D 2 22.694 -0.674 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR D 2 26.528 -0.973 -0.387 1.00 0.00 H new ATOM 0 HE1 TYR D 2 23.780 -0.736 -4.508 1.00 0.00 H new ATOM 0 HE2 TYR D 2 27.626 -1.024 -2.608 1.00 0.00 H new ATOM 0 HH TYR D 2 27.355 -0.986 -4.828 1.00 0.00 H new ATOM 847 N LEU D 3 23.832 -3.797 -1.305 1.00 0.00 N ATOM 848 CA LEU D 3 23.584 -4.595 -2.533 1.00 0.00 C ATOM 849 C LEU D 3 22.200 -5.200 -2.428 1.00 0.00 C ATOM 850 O LEU D 3 21.318 -4.929 -3.218 1.00 0.00 O ATOM 851 CB LEU D 3 24.643 -5.687 -2.512 1.00 0.00 C ATOM 852 CG LEU D 3 25.800 -5.305 -3.415 1.00 0.00 C ATOM 853 CD1 LEU D 3 26.349 -3.946 -2.998 1.00 0.00 C ATOM 854 CD2 LEU D 3 26.906 -6.355 -3.308 1.00 0.00 C ATOM 0 H LEU D 3 24.733 -3.964 -0.858 1.00 0.00 H new ATOM 0 HA LEU D 3 23.635 -4.010 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU D 3 25.001 -5.839 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU D 3 24.210 -6.631 -2.842 1.00 0.00 H new ATOM 0 HG LEU D 3 25.448 -5.254 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU D 3 27.180 -3.674 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU D 3 25.563 -3.195 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU D 3 26.697 -3.995 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU D 3 27.736 -6.077 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU D 3 27.256 -6.411 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU D 3 26.516 -7.326 -3.612 1.00 0.00 H new ATOM 866 N ARG D 4 22.001 -5.999 -1.423 1.00 0.00 N ATOM 867 CA ARG D 4 20.671 -6.606 -1.220 1.00 0.00 C ATOM 868 C ARG D 4 19.615 -5.516 -1.357 1.00 0.00 C ATOM 869 O ARG D 4 18.482 -5.775 -1.697 1.00 0.00 O ATOM 870 CB ARG D 4 20.701 -7.175 0.199 1.00 0.00 C ATOM 871 CG ARG D 4 20.872 -6.043 1.221 1.00 0.00 C ATOM 872 CD ARG D 4 22.354 -5.684 1.416 1.00 0.00 C ATOM 873 NE ARG D 4 23.121 -6.953 1.264 1.00 0.00 N ATOM 874 CZ ARG D 4 22.957 -7.923 2.123 1.00 0.00 C ATOM 875 NH1 ARG D 4 22.493 -7.668 3.317 1.00 0.00 N ATOM 876 NH2 ARG D 4 23.255 -9.149 1.789 1.00 0.00 N ATOM 0 H ARG D 4 22.707 -6.256 -0.733 1.00 0.00 H new ATOM 0 HA ARG D 4 20.436 -7.386 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG D 4 19.778 -7.720 0.400 1.00 0.00 H new ATOM 0 HB3 ARG D 4 21.520 -7.888 0.295 1.00 0.00 H new ATOM 0 HG2 ARG D 4 20.324 -5.162 0.886 1.00 0.00 H new ATOM 0 HG3 ARG D 4 20.440 -6.344 2.175 1.00 0.00 H new ATOM 0 HD2 ARG D 4 22.674 -4.947 0.680 1.00 0.00 H new ATOM 0 HD3 ARG D 4 22.521 -5.246 2.400 1.00 0.00 H new ATOM 0 HE ARG D 4 23.774 -7.064 0.489 1.00 0.00 H new ATOM 0 HH11 ARG D 4 22.258 -6.711 3.579 1.00 0.00 H new ATOM 0 HH12 ARG D 4 22.365 -8.426 3.987 1.00 0.00 H new ATOM 0 HH21 ARG D 4 23.616 -9.350 0.857 1.00 0.00 H new ATOM 0 HH22 ARG D 4 23.127 -9.906 2.460 1.00 0.00 H new ATOM 890 N ARG D 5 19.986 -4.292 -1.103 1.00 0.00 N ATOM 891 CA ARG D 5 19.004 -3.179 -1.235 1.00 0.00 C ATOM 892 C ARG D 5 19.013 -2.627 -2.669 1.00 0.00 C ATOM 893 O ARG D 5 18.028 -2.106 -3.150 1.00 0.00 O ATOM 894 CB ARG D 5 19.459 -2.121 -0.216 1.00 0.00 C ATOM 895 CG ARG D 5 19.983 -0.862 -0.924 1.00 0.00 C ATOM 896 CD ARG D 5 20.785 -0.013 0.060 1.00 0.00 C ATOM 897 NE ARG D 5 19.764 0.722 0.855 1.00 0.00 N ATOM 898 CZ ARG D 5 19.742 0.605 2.154 1.00 0.00 C ATOM 899 NH1 ARG D 5 19.931 -0.561 2.707 1.00 0.00 N ATOM 900 NH2 ARG D 5 19.530 1.655 2.899 1.00 0.00 N ATOM 0 H ARG D 5 20.923 -4.015 -0.811 1.00 0.00 H new ATOM 0 HA ARG D 5 17.980 -3.499 -1.041 1.00 0.00 H new ATOM 0 HB2 ARG D 5 18.626 -1.856 0.435 1.00 0.00 H new ATOM 0 HB3 ARG D 5 20.241 -2.536 0.420 1.00 0.00 H new ATOM 0 HG2 ARG D 5 20.609 -1.143 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG D 5 19.149 -0.284 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG D 5 21.411 -0.635 0.700 1.00 0.00 H new ATOM 0 HD3 ARG D 5 21.449 0.675 -0.463 1.00 0.00 H new ATOM 0 HE ARG D 5 19.082 1.317 0.385 1.00 0.00 H new ATOM 0 HH11 ARG D 5 20.096 -1.381 2.124 1.00 0.00 H new ATOM 0 HH12 ARG D 5 19.914 -0.653 3.723 1.00 0.00 H new ATOM 0 HH21 ARG D 5 19.382 2.566 2.466 1.00 0.00 H new ATOM 0 HH22 ARG D 5 19.513 1.564 3.915 1.00 0.00 H new ATOM 914 N PHE D 6 20.127 -2.721 -3.341 1.00 0.00 N ATOM 915 CA PHE D 6 20.208 -2.183 -4.729 1.00 0.00 C ATOM 916 C PHE D 6 19.692 -3.216 -5.744 1.00 0.00 C ATOM 917 O PHE D 6 18.912 -2.897 -6.619 1.00 0.00 O ATOM 918 CB PHE D 6 21.697 -1.863 -4.925 1.00 0.00 C ATOM 919 CG PHE D 6 22.227 -2.455 -6.195 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.066 -1.768 -7.396 1.00 0.00 C ATOM 921 CD2 PHE D 6 22.886 -3.680 -6.165 1.00 0.00 C ATOM 922 CE1 PHE D 6 22.567 -2.308 -8.576 1.00 0.00 C ATOM 923 CE2 PHE D 6 23.390 -4.225 -7.342 1.00 0.00 C ATOM 924 CZ PHE D 6 23.232 -3.541 -8.554 1.00 0.00 C ATOM 0 H PHE D 6 20.985 -3.147 -2.990 1.00 0.00 H new ATOM 0 HA PHE D 6 19.587 -1.300 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE D 6 21.838 -0.782 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE D 6 22.267 -2.247 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE D 6 21.553 -0.818 -7.411 1.00 0.00 H new ATOM 0 HD2 PHE D 6 23.006 -4.207 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE D 6 22.443 -1.777 -9.508 1.00 0.00 H new ATOM 0 HE2 PHE D 6 23.903 -5.175 -7.321 1.00 0.00 H new ATOM 0 HZ PHE D 6 23.622 -3.963 -9.469 1.00 0.00 H new ATOM 934 N PHE D 7 20.132 -4.441 -5.648 1.00 0.00 N ATOM 935 CA PHE D 7 19.676 -5.465 -6.619 1.00 0.00 C ATOM 936 C PHE D 7 18.232 -5.887 -6.319 1.00 0.00 C ATOM 937 O PHE D 7 17.507 -6.303 -7.200 1.00 0.00 O ATOM 938 CB PHE D 7 20.682 -6.622 -6.475 1.00 0.00 C ATOM 939 CG PHE D 7 20.141 -7.727 -5.593 1.00 0.00 C ATOM 940 CD1 PHE D 7 19.086 -8.530 -6.043 1.00 0.00 C ATOM 941 CD2 PHE D 7 20.711 -7.957 -4.335 1.00 0.00 C ATOM 942 CE1 PHE D 7 18.599 -9.563 -5.234 1.00 0.00 C ATOM 943 CE2 PHE D 7 20.222 -8.990 -3.527 1.00 0.00 C ATOM 944 CZ PHE D 7 19.165 -9.793 -3.975 1.00 0.00 C ATOM 0 H PHE D 7 20.786 -4.773 -4.939 1.00 0.00 H new ATOM 0 HA PHE D 7 19.655 -5.100 -7.646 1.00 0.00 H new ATOM 0 HB2 PHE D 7 20.917 -7.025 -7.460 1.00 0.00 H new ATOM 0 HB3 PHE D 7 21.614 -6.244 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE D 7 18.648 -8.352 -7.014 1.00 0.00 H new ATOM 0 HD2 PHE D 7 21.526 -7.339 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE D 7 17.786 -10.183 -5.582 1.00 0.00 H new ATOM 0 HE2 PHE D 7 20.660 -9.168 -2.556 1.00 0.00 H new ATOM 0 HZ PHE D 7 18.788 -10.588 -3.350 1.00 0.00 H new ATOM 954 N LYS D 8 17.803 -5.771 -5.094 1.00 0.00 N ATOM 955 CA LYS D 8 16.407 -6.155 -4.768 1.00 0.00 C ATOM 956 C LYS D 8 15.435 -5.264 -5.539 1.00 0.00 C ATOM 957 O LYS D 8 14.502 -5.732 -6.159 1.00 0.00 O ATOM 958 CB LYS D 8 16.264 -5.930 -3.274 1.00 0.00 C ATOM 959 CG LYS D 8 16.499 -7.249 -2.535 1.00 0.00 C ATOM 960 CD LYS D 8 15.949 -7.146 -1.112 1.00 0.00 C ATOM 961 CE LYS D 8 16.875 -7.897 -0.152 1.00 0.00 C ATOM 962 NZ LYS D 8 15.970 -8.498 0.866 1.00 0.00 N ATOM 0 H LYS D 8 18.357 -5.428 -4.309 1.00 0.00 H new ATOM 0 HA LYS D 8 16.188 -7.188 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS D 8 16.980 -5.180 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS D 8 15.270 -5.546 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS D 8 16.011 -8.067 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS D 8 17.564 -7.477 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS D 8 15.871 -6.100 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS D 8 14.944 -7.566 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS D 8 17.446 -8.664 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS D 8 17.596 -7.222 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 16.533 -9.030 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 15.444 -7.744 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 15.300 -9.141 0.398 1.00 0.00 H new ATOM 976 N ALA D 9 15.658 -3.977 -5.512 1.00 0.00 N ATOM 977 CA ALA D 9 14.767 -3.051 -6.248 1.00 0.00 C ATOM 978 C ALA D 9 14.956 -3.267 -7.743 1.00 0.00 C ATOM 979 O ALA D 9 14.071 -3.029 -8.539 1.00 0.00 O ATOM 980 CB ALA D 9 15.223 -1.649 -5.843 1.00 0.00 C ATOM 0 H ALA D 9 16.424 -3.531 -5.008 1.00 0.00 H new ATOM 0 HA ALA D 9 13.712 -3.205 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA D 9 14.608 -0.906 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA D 9 15.121 -1.530 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.266 -1.510 -6.126 1.00 0.00 H new ATOM 986 N LYS D 10 16.112 -3.731 -8.123 1.00 0.00 N ATOM 987 CA LYS D 10 16.379 -3.983 -9.550 1.00 0.00 C ATOM 988 C LYS D 10 15.407 -5.032 -10.079 1.00 0.00 C ATOM 989 O LYS D 10 14.607 -4.758 -10.943 1.00 0.00 O ATOM 990 CB LYS D 10 17.803 -4.499 -9.583 1.00 0.00 C ATOM 991 CG LYS D 10 18.465 -4.092 -10.896 1.00 0.00 C ATOM 992 CD LYS D 10 18.994 -2.665 -10.774 1.00 0.00 C ATOM 993 CE LYS D 10 19.709 -2.269 -12.068 1.00 0.00 C ATOM 994 NZ LYS D 10 18.711 -1.461 -12.825 1.00 0.00 N ATOM 0 H LYS D 10 16.886 -3.946 -7.494 1.00 0.00 H new ATOM 0 HA LYS D 10 16.254 -3.096 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS D 10 18.366 -4.097 -8.740 1.00 0.00 H new ATOM 0 HB3 LYS D 10 17.810 -5.584 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS D 10 19.281 -4.775 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS D 10 17.747 -4.157 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS D 10 18.172 -1.977 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS D 10 19.681 -2.592 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS D 10 20.610 -1.691 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS D 10 20.017 -3.148 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 19.127 -1.152 -13.727 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 17.867 -2.039 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 18.442 -0.628 -12.264 1.00 0.00 H new ATOM 1008 N LYS D 11 15.473 -6.229 -9.561 1.00 0.00 N ATOM 1009 CA LYS D 11 14.549 -7.304 -10.029 1.00 0.00 C ATOM 1010 C LYS D 11 13.148 -6.736 -10.283 1.00 0.00 C ATOM 1011 O LYS D 11 12.435 -7.183 -11.159 1.00 0.00 O ATOM 1012 CB LYS D 11 14.512 -8.319 -8.886 1.00 0.00 C ATOM 1013 CG LYS D 11 15.730 -9.243 -8.980 1.00 0.00 C ATOM 1014 CD LYS D 11 15.320 -10.564 -9.637 1.00 0.00 C ATOM 1015 CE LYS D 11 15.747 -11.731 -8.744 1.00 0.00 C ATOM 1016 NZ LYS D 11 17.179 -11.968 -9.078 1.00 0.00 N ATOM 0 H LYS D 11 16.129 -6.510 -8.832 1.00 0.00 H new ATOM 0 HA LYS D 11 14.883 -7.751 -10.966 1.00 0.00 H new ATOM 0 HB2 LYS D 11 14.509 -7.802 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS D 11 13.594 -8.905 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS D 11 16.518 -8.765 -9.561 1.00 0.00 H new ATOM 0 HG3 LYS D 11 16.136 -9.430 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS D 11 14.241 -10.586 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS D 11 15.785 -10.654 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS D 11 15.623 -11.487 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS D 11 15.144 -12.618 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 17.543 -12.755 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 17.265 -12.205 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 17.729 -11.109 -8.876 1.00 0.00 H new ATOM 1030 N LEU D 12 12.746 -5.759 -9.517 1.00 0.00 N ATOM 1031 CA LEU D 12 11.395 -5.165 -9.703 1.00 0.00 C ATOM 1032 C LEU D 12 11.303 -4.421 -11.040 1.00 0.00 C ATOM 1033 O LEU D 12 10.228 -4.128 -11.522 1.00 0.00 O ATOM 1034 CB LEU D 12 11.225 -4.191 -8.536 1.00 0.00 C ATOM 1035 CG LEU D 12 11.565 -4.896 -7.221 1.00 0.00 C ATOM 1036 CD1 LEU D 12 11.066 -4.053 -6.048 1.00 0.00 C ATOM 1037 CD2 LEU D 12 10.888 -6.269 -7.185 1.00 0.00 C ATOM 0 H LEU D 12 13.300 -5.346 -8.767 1.00 0.00 H new ATOM 0 HA LEU D 12 10.617 -5.928 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU D 12 11.874 -3.326 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU D 12 10.201 -3.820 -8.506 1.00 0.00 H new ATOM 0 HG LEU D 12 12.645 -5.022 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU D 12 11.308 -4.554 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU D 12 11.548 -3.076 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU D 12 9.986 -3.927 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU D 12 11.131 -6.770 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU D 12 9.808 -6.144 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU D 12 11.243 -6.872 -8.021 1.00 0.00 H new ATOM 1049 N ILE D 13 12.419 -4.107 -11.636 1.00 0.00 N ATOM 1050 CA ILE D 13 12.384 -3.372 -12.939 1.00 0.00 C ATOM 1051 C ILE D 13 13.532 -3.772 -13.848 1.00 0.00 C ATOM 1052 O ILE D 13 13.418 -3.809 -15.057 1.00 0.00 O ATOM 1053 CB ILE D 13 12.479 -1.902 -12.563 1.00 0.00 C ATOM 1054 CG1 ILE D 13 13.689 -1.684 -11.659 1.00 0.00 C ATOM 1055 CG2 ILE D 13 11.215 -1.496 -11.812 1.00 0.00 C ATOM 1056 CD1 ILE D 13 14.833 -1.065 -12.466 1.00 0.00 C ATOM 0 H ILE D 13 13.351 -4.324 -11.283 1.00 0.00 H new ATOM 0 HA ILE D 13 11.477 -3.601 -13.498 1.00 0.00 H new ATOM 0 HB ILE D 13 12.585 -1.301 -13.466 1.00 0.00 H new ATOM 0 HG12 ILE D 13 13.422 -1.030 -10.829 1.00 0.00 H new ATOM 0 HG13 ILE D 13 14.008 -2.633 -11.227 1.00 0.00 H new ATOM 0 HG21 ILE D 13 11.276 -0.442 -11.539 1.00 0.00 H new ATOM 0 HG22 ILE D 13 10.346 -1.656 -12.450 1.00 0.00 H new ATOM 0 HG23 ILE D 13 11.118 -2.099 -10.909 1.00 0.00 H new ATOM 0 HD11 ILE D 13 15.695 -0.911 -11.817 1.00 0.00 H new ATOM 0 HD12 ILE D 13 15.108 -1.735 -13.281 1.00 0.00 H new ATOM 0 HD13 ILE D 13 14.512 -0.107 -12.876 1.00 0.00 H new ATOM 1068 N GLU D 14 14.618 -4.077 -13.262 1.00 0.00 N ATOM 1069 CA GLU D 14 15.816 -4.498 -14.036 1.00 0.00 C ATOM 1070 C GLU D 14 16.013 -3.580 -15.244 1.00 0.00 C ATOM 1071 O GLU D 14 15.483 -2.481 -15.220 1.00 0.00 O ATOM 1072 CB GLU D 14 15.506 -5.927 -14.490 1.00 0.00 C ATOM 1073 CG GLU D 14 14.720 -6.665 -13.401 1.00 0.00 C ATOM 1074 CD GLU D 14 15.306 -8.065 -13.207 1.00 0.00 C ATOM 1075 OE1 GLU D 14 16.329 -8.172 -12.551 1.00 0.00 O ATOM 1076 OE2 GLU D 14 14.722 -9.006 -13.717 1.00 0.00 O ATOM 1077 OXT GLU D 14 16.690 -3.991 -16.172 1.00 0.00 O ATOM 0 H GLU D 14 14.749 -4.058 -12.251 1.00 0.00 H new ATOM 0 HA GLU D 14 16.732 -4.446 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU D 14 14.930 -5.906 -15.415 1.00 0.00 H new ATOM 0 HB3 GLU D 14 16.433 -6.458 -14.704 1.00 0.00 H new ATOM 0 HG2 GLU D 14 14.764 -6.108 -12.465 1.00 0.00 H new ATOM 0 HG3 GLU D 14 13.669 -6.735 -13.681 1.00 0.00 H new