USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ 155:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 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 12 LYS NZ :NH3+ 155:sc= 0.248 (180deg=-0.217) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A 3 -6.371 -10.839 -3.970 1.00 0.00 N ATOM 20 CA ARG A 3 -5.698 -10.065 -2.941 1.00 0.00 C ATOM 21 C ARG A 3 -5.001 -8.852 -3.561 1.00 0.00 C ATOM 22 O ARG A 3 -5.337 -7.711 -3.246 1.00 0.00 O ATOM 23 CB ARG A 3 -4.664 -10.915 -2.201 1.00 0.00 C ATOM 24 CG ARG A 3 -5.070 -12.390 -2.192 1.00 0.00 C ATOM 25 CD ARG A 3 -4.234 -13.184 -1.187 1.00 0.00 C ATOM 26 NE ARG A 3 -4.009 -14.558 -1.689 1.00 0.00 N ATOM 27 CZ ARG A 3 -3.084 -14.882 -2.603 1.00 0.00 C ATOM 28 NH1 ARG A 3 -2.292 -13.932 -3.121 1.00 0.00 N ATOM 29 NH2 ARG A 3 -2.950 -16.154 -3.000 1.00 0.00 N ATOM 0 HA ARG A 3 -6.453 -9.731 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.690 -10.805 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.560 -10.557 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.127 -12.478 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.943 -12.812 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.278 -12.687 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.744 -13.219 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.595 -15.305 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.394 -12.963 -2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.588 -14.178 -3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.552 -16.877 -2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.246 -16.400 -3.696 1.00 0.00 H new ATOM 43 N VAL A 4 -4.043 -9.138 -4.430 1.00 0.00 N ATOM 44 CA VAL A 4 -3.296 -8.085 -5.096 1.00 0.00 C ATOM 45 C VAL A 4 -4.273 -7.135 -5.792 1.00 0.00 C ATOM 46 O VAL A 4 -4.214 -5.923 -5.593 1.00 0.00 O ATOM 47 CB VAL A 4 -2.271 -8.696 -6.053 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.414 -7.608 -6.704 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.397 -9.726 -5.336 1.00 0.00 C ATOM 0 H VAL A 4 -3.767 -10.085 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.733 -7.498 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.816 -9.212 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.693 -8.068 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.054 -6.928 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.883 -7.052 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.677 -10.145 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.865 -9.244 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.025 -10.524 -4.941 1.00 0.00 H new ATOM 59 N LYS A 5 -5.149 -7.722 -6.593 1.00 0.00 N ATOM 60 CA LYS A 5 -6.137 -6.943 -7.320 1.00 0.00 C ATOM 61 C LYS A 5 -6.799 -5.948 -6.365 1.00 0.00 C ATOM 62 O LYS A 5 -6.617 -4.738 -6.500 1.00 0.00 O ATOM 63 CB LYS A 5 -7.130 -7.866 -8.031 1.00 0.00 C ATOM 64 CG LYS A 5 -8.049 -7.071 -8.960 1.00 0.00 C ATOM 65 CD LYS A 5 -7.798 -7.437 -10.424 1.00 0.00 C ATOM 66 CE LYS A 5 -9.004 -8.166 -11.021 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.744 -8.530 -12.432 1.00 0.00 N ATOM 0 H LYS A 5 -5.196 -8.728 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.658 -6.360 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.587 -8.616 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.728 -8.401 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.090 -7.270 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.884 -6.003 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.593 -6.534 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.913 -8.069 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.217 -9.064 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.887 -7.530 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.572 -9.024 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.563 -7.668 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.914 -9.154 -12.482 1.00 0.00 H new ATOM 81 N ALA A 6 -7.552 -6.493 -5.421 1.00 0.00 N ATOM 82 CA ALA A 6 -8.240 -5.668 -4.444 1.00 0.00 C ATOM 83 C ALA A 6 -7.237 -4.717 -3.789 1.00 0.00 C ATOM 84 O ALA A 6 -7.624 -3.695 -3.223 1.00 0.00 O ATOM 85 CB ALA A 6 -8.946 -6.565 -3.424 1.00 0.00 C ATOM 0 H ALA A 6 -7.701 -7.496 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.005 -5.059 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.462 -5.946 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.669 -7.200 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.210 -7.189 -2.918 1.00 0.00 H new ATOM 91 N LEU A 7 -5.969 -5.086 -3.887 1.00 0.00 N ATOM 92 CA LEU A 7 -4.908 -4.278 -3.310 1.00 0.00 C ATOM 93 C LEU A 7 -4.586 -3.118 -4.254 1.00 0.00 C ATOM 94 O LEU A 7 -4.845 -1.960 -3.930 1.00 0.00 O ATOM 95 CB LEU A 7 -3.696 -5.149 -2.969 1.00 0.00 C ATOM 96 CG LEU A 7 -3.415 -5.353 -1.479 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.279 -4.010 -0.758 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.480 -6.244 -0.837 1.00 0.00 C ATOM 0 H LEU A 7 -5.652 -5.934 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.232 -3.840 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.835 -6.127 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.813 -4.704 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.461 -5.870 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.080 -4.183 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.456 -3.444 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.205 -3.444 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.256 -6.373 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.459 -5.778 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.484 -7.217 -1.328 1.00 0.00 H new ATOM 110 N GLU A 8 -4.026 -3.469 -5.402 1.00 0.00 N ATOM 111 CA GLU A 8 -3.665 -2.472 -6.394 1.00 0.00 C ATOM 112 C GLU A 8 -4.694 -1.340 -6.408 1.00 0.00 C ATOM 113 O GLU A 8 -4.348 -0.183 -6.640 1.00 0.00 O ATOM 114 CB GLU A 8 -3.527 -3.104 -7.782 1.00 0.00 C ATOM 115 CG GLU A 8 -2.615 -2.264 -8.678 1.00 0.00 C ATOM 116 CD GLU A 8 -3.380 -1.725 -9.889 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.520 -1.257 -9.677 1.00 0.00 O ATOM 118 OE2 GLU A 8 -2.809 -1.795 -10.998 1.00 0.00 O ATOM 0 H GLU A 8 -3.813 -4.431 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.696 -2.053 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.123 -4.112 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.510 -3.197 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.202 -1.434 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.773 -2.869 -9.015 1.00 0.00 H new ATOM 125 N GLU A 9 -5.941 -1.713 -6.155 1.00 0.00 N ATOM 126 CA GLU A 9 -7.023 -0.744 -6.135 1.00 0.00 C ATOM 127 C GLU A 9 -6.658 0.441 -5.237 1.00 0.00 C ATOM 128 O GLU A 9 -6.763 1.594 -5.652 1.00 0.00 O ATOM 129 CB GLU A 9 -8.331 -1.393 -5.681 1.00 0.00 C ATOM 130 CG GLU A 9 -9.433 -1.195 -6.724 1.00 0.00 C ATOM 131 CD GLU A 9 -10.804 -1.065 -6.058 1.00 0.00 C ATOM 132 OE1 GLU A 9 -10.847 -0.472 -4.959 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.778 -1.563 -6.662 1.00 0.00 O ATOM 0 H GLU A 9 -6.225 -2.673 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.172 -0.374 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.173 -2.458 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.644 -0.962 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.225 -0.301 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.439 -2.038 -7.415 1.00 0.00 H new ATOM 140 N LYS A 10 -6.236 0.115 -4.024 1.00 0.00 N ATOM 141 CA LYS A 10 -5.855 1.138 -3.065 1.00 0.00 C ATOM 142 C LYS A 10 -4.441 1.627 -3.383 1.00 0.00 C ATOM 143 O LYS A 10 -4.229 2.817 -3.616 1.00 0.00 O ATOM 144 CB LYS A 10 -6.019 0.618 -1.636 1.00 0.00 C ATOM 145 CG LYS A 10 -6.425 1.748 -0.685 1.00 0.00 C ATOM 146 CD LYS A 10 -7.945 1.916 -0.651 1.00 0.00 C ATOM 147 CE LYS A 10 -8.485 1.732 0.768 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.888 2.194 0.854 1.00 0.00 N ATOM 0 H LYS A 10 -6.150 -0.843 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.516 2.001 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.774 -0.168 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.084 0.171 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.057 1.534 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.959 2.681 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.213 2.906 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.410 1.190 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.424 0.682 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.869 2.290 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.238 2.062 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.938 3.202 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.476 1.644 0.196 1.00 0.00 H new ATOM 162 N VAL A 11 -3.509 0.685 -3.383 1.00 0.00 N ATOM 163 CA VAL A 11 -2.120 1.006 -3.668 1.00 0.00 C ATOM 164 C VAL A 11 -2.058 1.971 -4.853 1.00 0.00 C ATOM 165 O VAL A 11 -1.324 2.958 -4.818 1.00 0.00 O ATOM 166 CB VAL A 11 -1.324 -0.280 -3.901 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.138 0.033 -4.228 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.427 -1.215 -2.695 1.00 0.00 C ATOM 0 H VAL A 11 -3.688 -0.300 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.660 1.507 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.758 -0.792 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.682 -0.898 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.187 0.643 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.588 0.577 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.852 -2.121 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.031 -0.714 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.471 -1.477 -2.526 1.00 0.00 H new ATOM 178 N LYS A 12 -2.837 1.652 -5.877 1.00 0.00 N ATOM 179 CA LYS A 12 -2.879 2.478 -7.072 1.00 0.00 C ATOM 180 C LYS A 12 -3.225 3.916 -6.679 1.00 0.00 C ATOM 181 O LYS A 12 -2.517 4.852 -7.050 1.00 0.00 O ATOM 182 CB LYS A 12 -3.832 1.876 -8.106 1.00 0.00 C ATOM 183 CG LYS A 12 -3.995 2.807 -9.309 1.00 0.00 C ATOM 184 CD LYS A 12 -3.417 2.173 -10.576 1.00 0.00 C ATOM 185 CE LYS A 12 -4.531 1.781 -11.549 1.00 0.00 C ATOM 186 NZ LYS A 12 -4.126 0.605 -12.352 1.00 0.00 N ATOM 0 H LYS A 12 -3.444 0.833 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.901 2.505 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.451 0.910 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.804 1.695 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.051 3.031 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.493 3.754 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.736 2.874 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.833 1.292 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.443 1.555 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.758 2.619 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.974 0.098 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.574 0.920 -13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.545 -0.030 -11.769 1.00 0.00 H new ATOM 200 N ALA A 13 -4.314 4.047 -5.936 1.00 0.00 N ATOM 201 CA ALA A 13 -4.762 5.355 -5.490 1.00 0.00 C ATOM 202 C ALA A 13 -3.646 6.026 -4.686 1.00 0.00 C ATOM 203 O ALA A 13 -3.364 7.208 -4.875 1.00 0.00 O ATOM 204 CB ALA A 13 -6.053 5.204 -4.681 1.00 0.00 C ATOM 0 H ALA A 13 -4.899 3.269 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.984 5.996 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.389 6.185 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.823 4.750 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.867 4.569 -3.815 1.00 0.00 H new ATOM 210 N LEU A 14 -3.041 5.241 -3.806 1.00 0.00 N ATOM 211 CA LEU A 14 -1.961 5.744 -2.974 1.00 0.00 C ATOM 212 C LEU A 14 -0.938 6.465 -3.853 1.00 0.00 C ATOM 213 O LEU A 14 -0.704 7.661 -3.687 1.00 0.00 O ATOM 214 CB LEU A 14 -1.364 4.616 -2.131 1.00 0.00 C ATOM 215 CG LEU A 14 -2.264 4.050 -1.031 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.431 3.467 0.112 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.255 5.106 -0.537 1.00 0.00 C ATOM 0 H LEU A 14 -3.278 4.261 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.339 6.476 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.083 3.801 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.446 4.981 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.848 3.232 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.095 3.071 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.800 2.665 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.804 4.249 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.883 4.678 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.708 5.959 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.881 5.434 -1.367 1.00 0.00 H new ATOM 229 N GLU A 15 -0.355 5.706 -4.769 1.00 0.00 N ATOM 230 CA GLU A 15 0.639 6.257 -5.675 1.00 0.00 C ATOM 231 C GLU A 15 0.223 7.658 -6.130 1.00 0.00 C ATOM 232 O GLU A 15 1.052 8.564 -6.195 1.00 0.00 O ATOM 233 CB GLU A 15 0.860 5.333 -6.875 1.00 0.00 C ATOM 234 CG GLU A 15 1.928 5.899 -7.813 1.00 0.00 C ATOM 235 CD GLU A 15 1.474 5.815 -9.273 1.00 0.00 C ATOM 236 OE1 GLU A 15 0.386 6.361 -9.561 1.00 0.00 O ATOM 237 OE2 GLU A 15 2.225 5.210 -10.066 1.00 0.00 O ATOM 0 H GLU A 15 -0.552 4.714 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 15 1.586 6.336 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.163 4.345 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.076 5.206 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.134 6.937 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.859 5.347 -7.685 1.00 0.00 H new ATOM 244 N GLU A 16 -1.059 7.790 -6.434 1.00 0.00 N ATOM 245 CA GLU A 16 -1.594 9.064 -6.881 1.00 0.00 C ATOM 246 C GLU A 16 -1.717 10.032 -5.702 1.00 0.00 C ATOM 247 O GLU A 16 -1.109 11.101 -5.706 1.00 0.00 O ATOM 248 CB GLU A 16 -2.942 8.878 -7.580 1.00 0.00 C ATOM 249 CG GLU A 16 -3.321 10.123 -8.384 1.00 0.00 C ATOM 250 CD GLU A 16 -4.361 9.790 -9.455 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.307 9.046 -9.115 1.00 0.00 O ATOM 252 OE2 GLU A 16 -4.189 10.286 -10.589 1.00 0.00 O ATOM 0 H GLU A 16 -1.743 7.035 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.902 9.492 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.896 8.014 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.714 8.671 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.716 10.886 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.431 10.541 -8.854 1.00 0.00 H new ATOM 259 N LYS A 17 -2.507 9.622 -4.721 1.00 0.00 N ATOM 260 CA LYS A 17 -2.718 10.439 -3.538 1.00 0.00 C ATOM 261 C LYS A 17 -1.361 10.864 -2.970 1.00 0.00 C ATOM 262 O LYS A 17 -1.092 12.054 -2.824 1.00 0.00 O ATOM 263 CB LYS A 17 -3.604 9.705 -2.531 1.00 0.00 C ATOM 264 CG LYS A 17 -5.046 10.212 -2.597 1.00 0.00 C ATOM 265 CD LYS A 17 -5.811 9.860 -1.320 1.00 0.00 C ATOM 266 CE LYS A 17 -6.642 8.589 -1.511 1.00 0.00 C ATOM 267 NZ LYS A 17 -8.085 8.915 -1.557 1.00 0.00 N ATOM 0 H LYS A 17 -3.009 8.734 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.257 11.351 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.582 8.634 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.211 9.847 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.049 11.293 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.550 9.775 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.109 9.720 -0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.464 10.688 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.346 8.089 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.446 7.893 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.634 8.042 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.366 9.372 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.270 9.561 -2.350 1.00 0.00 H new ATOM 281 N VAL A 18 -0.546 9.866 -2.664 1.00 0.00 N ATOM 282 CA VAL A 18 0.775 10.121 -2.115 1.00 0.00 C ATOM 283 C VAL A 18 1.448 11.239 -2.915 1.00 0.00 C ATOM 284 O VAL A 18 2.260 11.990 -2.376 1.00 0.00 O ATOM 285 CB VAL A 18 1.592 8.828 -2.093 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.952 9.049 -1.428 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.819 7.703 -1.400 1.00 0.00 C ATOM 0 H VAL A 18 -0.774 8.879 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 18 0.700 10.460 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 18 1.770 8.527 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.512 8.114 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.509 9.805 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.805 9.386 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.422 6.795 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.596 7.993 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.113 7.519 -1.935 1.00 0.00 H new ATOM 297 N LYS A 19 1.084 11.315 -4.186 1.00 0.00 N ATOM 298 CA LYS A 19 1.643 12.328 -5.065 1.00 0.00 C ATOM 299 C LYS A 19 0.883 13.642 -4.868 1.00 0.00 C ATOM 300 O LYS A 19 1.490 14.710 -4.804 1.00 0.00 O ATOM 301 CB LYS A 19 1.653 11.835 -6.513 1.00 0.00 C ATOM 302 CG LYS A 19 2.538 12.725 -7.389 1.00 0.00 C ATOM 303 CD LYS A 19 1.848 13.050 -8.715 1.00 0.00 C ATOM 304 CE LYS A 19 1.295 14.476 -8.708 1.00 0.00 C ATOM 305 NZ LYS A 19 -0.133 14.478 -8.318 1.00 0.00 N ATOM 0 H LYS A 19 0.409 10.692 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 19 2.686 12.520 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.016 10.808 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.636 11.828 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.768 13.649 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.486 12.223 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.556 12.934 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.038 12.342 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.868 15.091 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.408 14.921 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.492 15.454 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.679 13.908 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.233 14.073 -7.365 1.00 0.00 H new ATOM 319 N ALA A 20 -0.433 13.520 -4.778 1.00 0.00 N ATOM 320 CA ALA A 20 -1.281 14.685 -4.590 1.00 0.00 C ATOM 321 C ALA A 20 -0.825 15.447 -3.345 1.00 0.00 C ATOM 322 O ALA A 20 -1.082 16.643 -3.216 1.00 0.00 O ATOM 323 CB ALA A 20 -2.743 14.242 -4.499 1.00 0.00 C ATOM 0 H ALA A 20 -0.933 12.633 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.197 15.362 -5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.380 15.115 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.026 13.731 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.866 13.563 -3.655 1.00 0.00 H new ATOM 329 N LEU A 21 -0.155 14.724 -2.460 1.00 0.00 N ATOM 330 CA LEU A 21 0.341 15.316 -1.229 1.00 0.00 C ATOM 331 C LEU A 21 1.408 16.361 -1.564 1.00 0.00 C ATOM 332 O LEU A 21 2.352 16.073 -2.300 1.00 0.00 O ATOM 333 CB LEU A 21 0.823 14.230 -0.266 1.00 0.00 C ATOM 334 CG LEU A 21 0.016 12.931 -0.262 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.389 12.058 0.938 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.486 13.220 -0.315 1.00 0.00 C ATOM 0 H LEU A 21 0.056 13.732 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.462 15.836 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.858 13.990 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.819 14.640 0.744 1.00 0.00 H new ATOM 0 HG LEU A 21 0.269 12.368 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.199 11.140 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.450 11.810 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.183 12.600 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.038 12.280 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.773 13.813 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.718 13.773 -1.225 1.00 0.00 H new ATOM 348 N GLY A 22 1.224 17.549 -1.010 1.00 0.00 N ATOM 349 CA GLY A 22 2.159 18.637 -1.241 1.00 0.00 C ATOM 350 C GLY A 22 3.598 18.118 -1.303 1.00 0.00 C ATOM 351 O GLY A 22 4.432 18.680 -2.012 1.00 0.00 O ATOM 0 H GLY A 22 0.440 17.783 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.910 19.143 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.068 19.375 -0.444 1.00 0.00 H new ATOM 355 N GLY A 23 3.843 17.054 -0.554 1.00 0.00 N ATOM 356 CA GLY A 23 5.165 16.454 -0.515 1.00 0.00 C ATOM 357 C GLY A 23 6.231 17.499 -0.184 1.00 0.00 C ATOM 358 O GLY A 23 5.930 18.687 -0.077 1.00 0.00 O ATOM 0 H GLY A 23 3.148 16.591 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.186 15.659 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.388 15.994 -1.478 1.00 0.00 H new ATOM 362 N GLY A 24 7.457 17.019 -0.029 1.00 0.00 N ATOM 363 CA GLY A 24 8.570 17.897 0.288 1.00 0.00 C ATOM 364 C GLY A 24 9.008 17.722 1.744 1.00 0.00 C ATOM 365 O GLY A 24 9.250 18.703 2.446 1.00 0.00 O ATOM 0 H GLY A 24 7.703 16.033 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.408 17.683 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.282 18.934 0.113 1.00 0.00 H new ATOM 369 N GLY A 25 9.099 16.466 2.154 1.00 0.00 N ATOM 370 CA GLY A 25 9.504 16.149 3.514 1.00 0.00 C ATOM 371 C GLY A 25 8.321 15.622 4.329 1.00 0.00 C ATOM 372 O GLY A 25 8.041 16.121 5.418 1.00 0.00 O ATOM 0 H GLY A 25 8.899 15.655 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.299 15.403 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.912 17.039 3.993 1.00 0.00 H new ATOM 376 N ARG A 26 7.660 14.617 3.771 1.00 0.00 N ATOM 377 CA ARG A 26 6.514 14.017 4.433 1.00 0.00 C ATOM 378 C ARG A 26 6.195 12.657 3.810 1.00 0.00 C ATOM 379 O ARG A 26 6.523 11.617 4.378 1.00 0.00 O ATOM 380 CB ARG A 26 5.283 14.919 4.332 1.00 0.00 C ATOM 381 CG ARG A 26 5.057 15.688 5.635 1.00 0.00 C ATOM 382 CD ARG A 26 4.819 17.174 5.360 1.00 0.00 C ATOM 383 NE ARG A 26 4.481 17.874 6.621 1.00 0.00 N ATOM 384 CZ ARG A 26 3.242 17.958 7.123 1.00 0.00 C ATOM 385 NH1 ARG A 26 2.216 17.388 6.476 1.00 0.00 N ATOM 386 NH2 ARG A 26 3.029 18.613 8.273 1.00 0.00 N ATOM 0 H ARG A 26 7.896 14.204 2.869 1.00 0.00 H new ATOM 0 HA ARG A 26 6.769 13.888 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.409 15.622 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.404 14.316 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.200 15.271 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.923 15.569 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.710 17.617 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.010 17.294 4.639 1.00 0.00 H new ATOM 0 HE ARG A 26 5.238 18.319 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.378 16.890 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.273 17.452 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.810 19.047 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.086 18.678 8.656 1.00 0.00 H new ATOM 400 N ILE A 27 5.558 12.708 2.649 1.00 0.00 N ATOM 401 CA ILE A 27 5.190 11.494 1.943 1.00 0.00 C ATOM 402 C ILE A 27 6.394 10.551 1.897 1.00 0.00 C ATOM 403 O ILE A 27 6.233 9.331 1.902 1.00 0.00 O ATOM 404 CB ILE A 27 4.618 11.828 0.564 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.561 12.748 -0.213 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.210 12.417 0.683 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.803 13.531 -1.287 1.00 0.00 C ATOM 0 H ILE A 27 5.288 13.572 2.180 1.00 0.00 H new ATOM 0 HA ILE A 27 4.395 10.971 2.474 1.00 0.00 H new ATOM 0 HB ILE A 27 4.533 10.902 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.045 13.442 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.350 12.157 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.826 12.646 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.553 11.695 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.247 13.330 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.497 14.177 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.340 12.835 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.031 14.140 -0.817 1.00 0.00 H new ATOM 419 N GLU A 28 7.574 11.152 1.853 1.00 0.00 N ATOM 420 CA GLU A 28 8.805 10.381 1.807 1.00 0.00 C ATOM 421 C GLU A 28 8.679 9.126 2.672 1.00 0.00 C ATOM 422 O GLU A 28 8.812 8.009 2.176 1.00 0.00 O ATOM 423 CB GLU A 28 10.000 11.230 2.242 1.00 0.00 C ATOM 424 CG GLU A 28 11.305 10.441 2.126 1.00 0.00 C ATOM 425 CD GLU A 28 12.513 11.326 2.447 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.475 11.970 3.517 1.00 0.00 O ATOM 427 OE2 GLU A 28 13.444 11.338 1.614 1.00 0.00 O ATOM 0 H GLU A 28 7.704 12.164 1.848 1.00 0.00 H new ATOM 0 HA GLU A 28 8.978 10.071 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.057 12.127 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.861 11.560 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.282 9.591 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.402 10.039 1.118 1.00 0.00 H new ATOM 434 N GLU A 29 8.423 9.353 3.953 1.00 0.00 N ATOM 435 CA GLU A 29 8.278 8.254 4.893 1.00 0.00 C ATOM 436 C GLU A 29 7.301 7.212 4.345 1.00 0.00 C ATOM 437 O GLU A 29 7.714 6.139 3.910 1.00 0.00 O ATOM 438 CB GLU A 29 7.826 8.762 6.264 1.00 0.00 C ATOM 439 CG GLU A 29 8.167 7.752 7.362 1.00 0.00 C ATOM 440 CD GLU A 29 6.934 7.427 8.209 1.00 0.00 C ATOM 441 OE1 GLU A 29 6.315 8.394 8.705 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.640 6.220 8.341 1.00 0.00 O ATOM 0 H GLU A 29 8.312 10.281 4.361 1.00 0.00 H new ATOM 0 HA GLU A 29 9.251 7.779 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.308 9.716 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.751 8.943 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.555 6.838 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.955 8.154 7.999 1.00 0.00 H new ATOM 449 N LEU A 30 6.026 7.567 4.382 1.00 0.00 N ATOM 450 CA LEU A 30 4.987 6.676 3.895 1.00 0.00 C ATOM 451 C LEU A 30 5.409 6.099 2.542 1.00 0.00 C ATOM 452 O LEU A 30 5.203 4.914 2.277 1.00 0.00 O ATOM 453 CB LEU A 30 3.636 7.394 3.862 1.00 0.00 C ATOM 454 CG LEU A 30 3.482 8.483 2.798 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.402 7.875 1.397 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.280 9.380 3.103 1.00 0.00 C ATOM 0 H LEU A 30 5.688 8.460 4.742 1.00 0.00 H new ATOM 0 HA LEU A 30 4.858 5.834 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.855 6.650 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.461 7.842 4.840 1.00 0.00 H new ATOM 0 HG LEU A 30 4.371 9.114 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.293 8.671 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.313 7.313 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.543 7.207 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.192 10.146 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.372 8.778 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.419 9.856 4.074 1.00 0.00 H new ATOM 468 N LYS A 31 5.993 6.961 1.723 1.00 0.00 N ATOM 469 CA LYS A 31 6.446 6.552 0.405 1.00 0.00 C ATOM 470 C LYS A 31 7.429 5.389 0.546 1.00 0.00 C ATOM 471 O LYS A 31 7.432 4.471 -0.271 1.00 0.00 O ATOM 472 CB LYS A 31 7.014 7.747 -0.362 1.00 0.00 C ATOM 473 CG LYS A 31 5.946 8.389 -1.249 1.00 0.00 C ATOM 474 CD LYS A 31 6.515 8.741 -2.625 1.00 0.00 C ATOM 475 CE LYS A 31 6.902 7.478 -3.398 1.00 0.00 C ATOM 476 NZ LYS A 31 6.046 7.320 -4.594 1.00 0.00 N ATOM 0 H LYS A 31 6.163 7.941 1.947 1.00 0.00 H new ATOM 0 HA LYS A 31 5.607 6.191 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.399 8.485 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.855 7.423 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.104 7.706 -1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.563 9.289 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.778 9.308 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.389 9.382 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.949 7.534 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.801 6.605 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.322 6.458 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.051 7.245 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.163 8.145 -5.216 1.00 0.00 H new ATOM 490 N LYS A 32 8.240 5.465 1.591 1.00 0.00 N ATOM 491 CA LYS A 32 9.226 4.429 1.851 1.00 0.00 C ATOM 492 C LYS A 32 8.511 3.094 2.065 1.00 0.00 C ATOM 493 O LYS A 32 8.735 2.140 1.322 1.00 0.00 O ATOM 494 CB LYS A 32 10.134 4.834 3.014 1.00 0.00 C ATOM 495 CG LYS A 32 10.660 6.259 2.829 1.00 0.00 C ATOM 496 CD LYS A 32 12.167 6.324 3.082 1.00 0.00 C ATOM 497 CE LYS A 32 12.946 5.671 1.937 1.00 0.00 C ATOM 498 NZ LYS A 32 14.391 5.630 2.251 1.00 0.00 N ATOM 0 H LYS A 32 8.235 6.228 2.268 1.00 0.00 H new ATOM 0 HA LYS A 32 9.884 4.304 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.582 4.765 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.971 4.140 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.442 6.602 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.143 6.933 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.476 7.364 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.404 5.822 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.576 4.660 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.784 6.229 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.905 5.184 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.744 6.598 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.542 5.078 3.120 1.00 0.00 H new ATOM 512 N LYS A 33 7.666 3.067 3.086 1.00 0.00 N ATOM 513 CA LYS A 33 6.918 1.864 3.407 1.00 0.00 C ATOM 514 C LYS A 33 6.044 1.478 2.213 1.00 0.00 C ATOM 515 O LYS A 33 5.822 0.296 1.957 1.00 0.00 O ATOM 516 CB LYS A 33 6.134 2.052 4.708 1.00 0.00 C ATOM 517 CG LYS A 33 7.072 2.379 5.872 1.00 0.00 C ATOM 518 CD LYS A 33 6.672 1.608 7.131 1.00 0.00 C ATOM 519 CE LYS A 33 7.803 1.619 8.162 1.00 0.00 C ATOM 520 NZ LYS A 33 7.315 1.126 9.470 1.00 0.00 N ATOM 0 H LYS A 33 7.483 3.860 3.701 1.00 0.00 H new ATOM 0 HA LYS A 33 7.597 1.030 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.407 2.855 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.573 1.145 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.097 2.129 5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.048 3.450 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.776 2.052 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.424 0.580 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.626 0.994 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.195 2.630 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.112 0.741 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.882 1.911 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.607 0.380 9.317 1.00 0.00 H new ATOM 534 N TRP A 34 5.571 2.498 1.512 1.00 0.00 N ATOM 535 CA TRP A 34 4.726 2.281 0.350 1.00 0.00 C ATOM 536 C TRP A 34 5.535 1.490 -0.681 1.00 0.00 C ATOM 537 O TRP A 34 4.967 0.768 -1.499 1.00 0.00 O ATOM 538 CB TRP A 34 4.193 3.607 -0.198 1.00 0.00 C ATOM 539 CG TRP A 34 4.198 3.696 -1.725 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.190 4.111 -2.524 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.113 3.345 -2.609 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.826 4.052 -3.854 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.524 3.572 -3.907 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.829 2.852 -2.322 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.709 3.334 -5.021 1.00 0.00 C ATOM 546 CZ3 TRP A 34 1.026 2.619 -3.446 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.424 2.843 -4.759 1.00 0.00 C ATOM 0 H TRP A 34 5.757 3.478 1.727 1.00 0.00 H new ATOM 0 HA TRP A 34 3.842 1.702 0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.174 3.753 0.161 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.793 4.423 0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.153 4.449 -2.172 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.406 4.313 -4.651 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.488 2.667 -1.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.053 3.519 -6.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.029 2.239 -3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.745 2.639 -5.574 1.00 0.00 H new ATOM 558 N GLU A 35 6.847 1.653 -0.608 1.00 0.00 N ATOM 559 CA GLU A 35 7.739 0.964 -1.525 1.00 0.00 C ATOM 560 C GLU A 35 7.928 -0.491 -1.089 1.00 0.00 C ATOM 561 O GLU A 35 8.027 -1.386 -1.927 1.00 0.00 O ATOM 562 CB GLU A 35 9.085 1.685 -1.627 1.00 0.00 C ATOM 563 CG GLU A 35 10.245 0.687 -1.610 1.00 0.00 C ATOM 564 CD GLU A 35 11.586 1.403 -1.777 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.690 2.540 -1.269 1.00 0.00 O ATOM 566 OE2 GLU A 35 12.480 0.795 -2.407 1.00 0.00 O ATOM 0 H GLU A 35 7.314 2.252 0.072 1.00 0.00 H new ATOM 0 HA GLU A 35 7.285 0.970 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.119 2.271 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.190 2.385 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.239 0.133 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.115 -0.041 -2.411 1.00 0.00 H new ATOM 573 N GLU A 36 7.972 -0.680 0.222 1.00 0.00 N ATOM 574 CA GLU A 36 8.147 -2.011 0.779 1.00 0.00 C ATOM 575 C GLU A 36 6.814 -2.763 0.788 1.00 0.00 C ATOM 576 O GLU A 36 6.790 -3.990 0.709 1.00 0.00 O ATOM 577 CB GLU A 36 8.747 -1.942 2.185 1.00 0.00 C ATOM 578 CG GLU A 36 9.669 -0.730 2.328 1.00 0.00 C ATOM 579 CD GLU A 36 10.813 -1.023 3.302 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.822 -1.595 2.837 1.00 0.00 O ATOM 581 OE2 GLU A 36 10.652 -0.668 4.490 1.00 0.00 O ATOM 0 H GLU A 36 7.890 0.065 0.914 1.00 0.00 H new ATOM 0 HA GLU A 36 8.846 -2.559 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.947 -1.884 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.306 -2.855 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.076 -0.461 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.096 0.127 2.681 1.00 0.00 H new ATOM 588 N LEU A 37 5.740 -1.995 0.884 1.00 0.00 N ATOM 589 CA LEU A 37 4.407 -2.573 0.904 1.00 0.00 C ATOM 590 C LEU A 37 4.084 -3.149 -0.476 1.00 0.00 C ATOM 591 O LEU A 37 3.827 -4.345 -0.607 1.00 0.00 O ATOM 592 CB LEU A 37 3.385 -1.546 1.396 1.00 0.00 C ATOM 593 CG LEU A 37 2.220 -1.251 0.448 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.483 -2.538 0.070 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.277 -0.206 1.045 1.00 0.00 C ATOM 0 H LEU A 37 5.765 -0.977 0.949 1.00 0.00 H new ATOM 0 HA LEU A 37 4.361 -3.399 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.976 -1.895 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.908 -0.611 1.599 1.00 0.00 H new ATOM 0 HG LEU A 37 2.626 -0.829 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.660 -2.301 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.173 -3.220 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.090 -3.010 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.459 -0.015 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.874 -0.576 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.825 0.719 1.223 1.00 0.00 H new ATOM 607 N LYS A 38 4.110 -2.272 -1.468 1.00 0.00 N ATOM 608 CA LYS A 38 3.823 -2.679 -2.834 1.00 0.00 C ATOM 609 C LYS A 38 4.666 -3.907 -3.183 1.00 0.00 C ATOM 610 O LYS A 38 4.242 -4.753 -3.967 1.00 0.00 O ATOM 611 CB LYS A 38 4.019 -1.505 -3.795 1.00 0.00 C ATOM 612 CG LYS A 38 3.892 -1.961 -5.250 1.00 0.00 C ATOM 613 CD LYS A 38 4.882 -1.216 -6.147 1.00 0.00 C ATOM 614 CE LYS A 38 4.519 0.268 -6.251 1.00 0.00 C ATOM 615 NZ LYS A 38 3.611 0.499 -7.396 1.00 0.00 N ATOM 0 H LYS A 38 4.325 -1.281 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 38 2.777 -2.971 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.279 -0.732 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.000 -1.059 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.073 -3.034 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.875 -1.787 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.890 -1.320 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.886 -1.664 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.042 0.597 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.425 0.863 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.374 1.510 -7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.080 0.203 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.740 -0.054 -7.265 1.00 0.00 H new ATOM 629 N LYS A 39 5.847 -3.965 -2.582 1.00 0.00 N ATOM 630 CA LYS A 39 6.753 -5.075 -2.819 1.00 0.00 C ATOM 631 C LYS A 39 6.114 -6.368 -2.309 1.00 0.00 C ATOM 632 O LYS A 39 6.249 -7.420 -2.932 1.00 0.00 O ATOM 633 CB LYS A 39 8.127 -4.785 -2.210 1.00 0.00 C ATOM 634 CG LYS A 39 9.137 -5.867 -2.598 1.00 0.00 C ATOM 635 CD LYS A 39 10.373 -5.810 -1.698 1.00 0.00 C ATOM 636 CE LYS A 39 11.090 -7.161 -1.663 1.00 0.00 C ATOM 637 NZ LYS A 39 10.900 -7.815 -0.349 1.00 0.00 N ATOM 0 H LYS A 39 6.196 -3.261 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 39 6.925 -5.205 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.482 -3.812 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.044 -4.732 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.671 -6.849 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.434 -5.736 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.056 -5.041 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.079 -5.524 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.706 -7.804 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.154 -7.020 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.393 -8.731 -0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.288 -7.207 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.885 -7.967 -0.180 1.00 0.00 H new ATOM 651 N LYS A 40 5.432 -6.247 -1.179 1.00 0.00 N ATOM 652 CA LYS A 40 4.772 -7.393 -0.577 1.00 0.00 C ATOM 653 C LYS A 40 3.586 -7.810 -1.450 1.00 0.00 C ATOM 654 O LYS A 40 3.426 -8.988 -1.764 1.00 0.00 O ATOM 655 CB LYS A 40 4.392 -7.092 0.874 1.00 0.00 C ATOM 656 CG LYS A 40 5.419 -7.680 1.843 1.00 0.00 C ATOM 657 CD LYS A 40 5.691 -6.720 3.003 1.00 0.00 C ATOM 658 CE LYS A 40 6.283 -7.462 4.202 1.00 0.00 C ATOM 659 NZ LYS A 40 6.512 -6.528 5.328 1.00 0.00 N ATOM 0 H LYS A 40 5.322 -5.373 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 40 5.451 -8.244 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.325 -6.014 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.406 -7.505 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.055 -8.631 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.348 -7.887 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.378 -5.938 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.764 -6.228 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.607 -8.258 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.223 -7.935 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.914 -7.048 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.174 -5.783 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.609 -6.097 5.610 1.00 0.00 H new ATOM 673 N ILE A 41 2.786 -6.820 -1.817 1.00 0.00 N ATOM 674 CA ILE A 41 1.620 -7.069 -2.647 1.00 0.00 C ATOM 675 C ILE A 41 2.059 -7.743 -3.948 1.00 0.00 C ATOM 676 O ILE A 41 1.255 -8.385 -4.622 1.00 0.00 O ATOM 677 CB ILE A 41 0.829 -5.777 -2.862 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.588 -5.055 -1.535 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.476 -6.051 -3.610 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.459 -3.950 -1.694 1.00 0.00 C ATOM 0 H ILE A 41 2.922 -5.844 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 41 0.937 -7.755 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 41 1.425 -5.112 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.256 -5.770 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.523 -4.626 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.019 -5.116 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.253 -6.490 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.088 -6.743 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.611 -3.453 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.112 -3.223 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.400 -4.386 -2.030 1.00 0.00 H new ATOM 692 N GLU A 42 3.336 -7.575 -4.262 1.00 0.00 N ATOM 693 CA GLU A 42 3.892 -8.159 -5.471 1.00 0.00 C ATOM 694 C GLU A 42 4.100 -9.664 -5.285 1.00 0.00 C ATOM 695 O GLU A 42 3.617 -10.464 -6.086 1.00 0.00 O ATOM 696 CB GLU A 42 5.201 -7.470 -5.861 1.00 0.00 C ATOM 697 CG GLU A 42 4.996 -6.545 -7.063 1.00 0.00 C ATOM 698 CD GLU A 42 5.713 -7.086 -8.300 1.00 0.00 C ATOM 699 OE1 GLU A 42 6.895 -6.718 -8.478 1.00 0.00 O ATOM 700 OE2 GLU A 42 5.065 -7.855 -9.041 1.00 0.00 O ATOM 0 H GLU A 42 4.001 -7.043 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 42 3.183 -8.006 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.580 -6.895 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.954 -8.221 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.931 -6.444 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.371 -5.549 -6.828 1.00 0.00 H new ATOM 707 N GLU A 43 4.818 -10.004 -4.225 1.00 0.00 N ATOM 708 CA GLU A 43 5.096 -11.399 -3.925 1.00 0.00 C ATOM 709 C GLU A 43 3.890 -12.043 -3.237 1.00 0.00 C ATOM 710 O GLU A 43 3.875 -13.250 -3.005 1.00 0.00 O ATOM 711 CB GLU A 43 6.355 -11.535 -3.067 1.00 0.00 C ATOM 712 CG GLU A 43 7.392 -12.425 -3.753 1.00 0.00 C ATOM 713 CD GLU A 43 8.212 -13.205 -2.724 1.00 0.00 C ATOM 714 OE1 GLU A 43 7.635 -14.145 -2.134 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.397 -12.846 -2.551 1.00 0.00 O ATOM 0 H GLU A 43 5.216 -9.338 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 43 5.278 -11.924 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.782 -10.549 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.094 -11.956 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.891 -13.120 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.056 -11.812 -4.363 1.00 0.00 H new ATOM 722 N LEU A 44 2.907 -11.208 -2.930 1.00 0.00 N ATOM 723 CA LEU A 44 1.702 -11.681 -2.273 1.00 0.00 C ATOM 724 C LEU A 44 1.278 -13.014 -2.894 1.00 0.00 C ATOM 725 O LEU A 44 0.660 -13.844 -2.228 1.00 0.00 O ATOM 726 CB LEU A 44 0.611 -10.608 -2.318 1.00 0.00 C ATOM 727 CG LEU A 44 0.352 -9.862 -1.007 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.855 -8.931 -1.136 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.199 -10.840 0.160 1.00 0.00 C ATOM 0 H LEU A 44 2.922 -10.207 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 44 1.892 -11.866 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.878 -9.878 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.320 -11.077 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 44 1.219 -9.238 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.018 -8.413 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.668 -8.200 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.740 -9.516 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.016 -10.284 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.640 -11.508 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.112 -11.426 0.266 1.00 0.00 H new ATOM 769 N GLU A 49 -0.145 -13.997 3.801 1.00 0.00 N ATOM 770 CA GLU A 49 0.181 -13.082 4.882 1.00 0.00 C ATOM 771 C GLU A 49 -0.207 -11.652 4.501 1.00 0.00 C ATOM 772 O GLU A 49 0.460 -10.698 4.899 1.00 0.00 O ATOM 773 CB GLU A 49 1.665 -13.170 5.245 1.00 0.00 C ATOM 774 CG GLU A 49 1.915 -14.283 6.263 1.00 0.00 C ATOM 775 CD GLU A 49 3.216 -14.041 7.032 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.285 -12.996 7.715 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.110 -14.906 6.921 1.00 0.00 O ATOM 0 HA GLU A 49 -0.392 -13.371 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.253 -13.356 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.000 -12.217 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.080 -14.336 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.964 -15.244 5.751 1.00 0.00 H new ATOM 784 N VAL A 50 -1.283 -11.548 3.735 1.00 0.00 N ATOM 785 CA VAL A 50 -1.768 -10.251 3.297 1.00 0.00 C ATOM 786 C VAL A 50 -2.061 -9.381 4.521 1.00 0.00 C ATOM 787 O VAL A 50 -1.880 -8.165 4.481 1.00 0.00 O ATOM 788 CB VAL A 50 -2.983 -10.427 2.384 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.422 -9.086 1.791 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.697 -11.447 1.280 1.00 0.00 C ATOM 0 H VAL A 50 -1.833 -12.342 3.406 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.008 -9.738 2.708 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.804 -10.811 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.287 -9.239 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.687 -8.401 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.605 -8.661 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.577 -11.553 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.855 -11.105 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.455 -12.411 1.729 1.00 0.00 H new ATOM 800 N LYS A 51 -2.510 -10.038 5.581 1.00 0.00 N ATOM 801 CA LYS A 51 -2.830 -9.339 6.814 1.00 0.00 C ATOM 802 C LYS A 51 -1.812 -8.220 7.040 1.00 0.00 C ATOM 803 O LYS A 51 -2.145 -7.179 7.607 1.00 0.00 O ATOM 804 CB LYS A 51 -2.928 -10.326 7.979 1.00 0.00 C ATOM 805 CG LYS A 51 -4.386 -10.560 8.379 1.00 0.00 C ATOM 806 CD LYS A 51 -4.481 -11.532 9.557 1.00 0.00 C ATOM 807 CE LYS A 51 -4.016 -10.869 10.854 1.00 0.00 C ATOM 808 NZ LYS A 51 -2.773 -11.504 11.345 1.00 0.00 N ATOM 0 H LYS A 51 -2.660 -11.047 5.611 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.810 -8.868 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.468 -11.273 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.370 -9.942 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.850 -9.611 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.941 -10.957 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.510 -11.875 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.872 -12.413 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.846 -9.806 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.796 -10.950 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.472 -11.041 12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.947 -12.513 11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.026 -11.404 10.629 1.00 0.00 H new ATOM 822 N LYS A 52 -0.594 -8.471 6.585 1.00 0.00 N ATOM 823 CA LYS A 52 0.475 -7.497 6.730 1.00 0.00 C ATOM 824 C LYS A 52 0.284 -6.380 5.702 1.00 0.00 C ATOM 825 O LYS A 52 0.176 -5.209 6.065 1.00 0.00 O ATOM 826 CB LYS A 52 1.839 -8.183 6.648 1.00 0.00 C ATOM 827 CG LYS A 52 2.477 -8.304 8.034 1.00 0.00 C ATOM 828 CD LYS A 52 3.908 -8.838 7.935 1.00 0.00 C ATOM 829 CE LYS A 52 4.148 -9.956 8.950 1.00 0.00 C ATOM 830 NZ LYS A 52 5.407 -10.670 8.647 1.00 0.00 N ATOM 0 H LYS A 52 -0.323 -9.335 6.115 1.00 0.00 H new ATOM 0 HA LYS A 52 0.437 -7.033 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.726 -9.174 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.496 -7.615 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.482 -7.329 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.879 -8.970 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.092 -9.211 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.615 -8.027 8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.193 -9.538 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.313 -10.656 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.554 -11.426 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.350 -11.085 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.203 -10.002 8.687 1.00 0.00 H new ATOM 844 N VAL A 53 0.250 -6.781 4.440 1.00 0.00 N ATOM 845 CA VAL A 53 0.076 -5.829 3.356 1.00 0.00 C ATOM 846 C VAL A 53 -0.964 -4.783 3.766 1.00 0.00 C ATOM 847 O VAL A 53 -0.635 -3.611 3.940 1.00 0.00 O ATOM 848 CB VAL A 53 -0.293 -6.565 2.066 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.132 -5.675 1.148 1.00 0.00 C ATOM 850 CG2 VAL A 53 0.959 -7.070 1.347 1.00 0.00 C ATOM 0 H VAL A 53 0.340 -7.753 4.144 1.00 0.00 H new ATOM 0 HA VAL A 53 1.009 -5.301 3.157 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.897 -7.431 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.381 -6.222 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.050 -5.387 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.564 -4.781 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.669 -7.589 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.600 -6.225 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.501 -7.756 1.998 1.00 0.00 H new ATOM 860 N GLU A 54 -2.197 -5.245 3.906 1.00 0.00 N ATOM 861 CA GLU A 54 -3.287 -4.364 4.291 1.00 0.00 C ATOM 862 C GLU A 54 -2.834 -3.413 5.402 1.00 0.00 C ATOM 863 O GLU A 54 -2.845 -2.196 5.224 1.00 0.00 O ATOM 864 CB GLU A 54 -4.516 -5.168 4.724 1.00 0.00 C ATOM 865 CG GLU A 54 -4.914 -6.181 3.649 1.00 0.00 C ATOM 866 CD GLU A 54 -6.308 -5.874 3.098 1.00 0.00 C ATOM 867 OE1 GLU A 54 -7.276 -6.058 3.866 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.373 -5.462 1.919 1.00 0.00 O ATOM 0 H GLU A 54 -2.466 -6.218 3.760 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.571 -3.769 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.304 -5.688 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.348 -4.491 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.186 -6.162 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.898 -7.187 4.068 1.00 0.00 H new ATOM 875 N GLU A 55 -2.447 -4.006 6.522 1.00 0.00 N ATOM 876 CA GLU A 55 -1.991 -3.227 7.660 1.00 0.00 C ATOM 877 C GLU A 55 -0.947 -2.201 7.218 1.00 0.00 C ATOM 878 O GLU A 55 -0.818 -1.139 7.826 1.00 0.00 O ATOM 879 CB GLU A 55 -1.436 -4.135 8.759 1.00 0.00 C ATOM 880 CG GLU A 55 -2.338 -4.117 9.995 1.00 0.00 C ATOM 881 CD GLU A 55 -1.695 -3.319 11.131 1.00 0.00 C ATOM 882 OE1 GLU A 55 -1.728 -2.073 11.039 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.187 -3.973 12.067 1.00 0.00 O ATOM 0 H GLU A 55 -2.440 -5.016 6.665 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.845 -2.691 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.349 -5.154 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.432 -3.809 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.303 -3.679 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.529 -5.138 10.325 1.00 0.00 H new ATOM 890 N GLU A 56 -0.228 -2.553 6.162 1.00 0.00 N ATOM 891 CA GLU A 56 0.801 -1.675 5.631 1.00 0.00 C ATOM 892 C GLU A 56 0.167 -0.551 4.808 1.00 0.00 C ATOM 893 O GLU A 56 0.550 0.610 4.941 1.00 0.00 O ATOM 894 CB GLU A 56 1.814 -2.461 4.796 1.00 0.00 C ATOM 895 CG GLU A 56 3.178 -1.767 4.795 1.00 0.00 C ATOM 896 CD GLU A 56 3.651 -1.485 6.222 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.870 -2.474 6.955 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.784 -0.285 6.549 1.00 0.00 O ATOM 0 H GLU A 56 -0.338 -3.434 5.660 1.00 0.00 H new ATOM 0 HA GLU A 56 1.338 -1.228 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.915 -3.470 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.450 -2.558 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.908 -2.394 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.114 -0.832 4.238 1.00 0.00 H new ATOM 905 N VAL A 57 -0.790 -0.936 3.979 1.00 0.00 N ATOM 906 CA VAL A 57 -1.481 0.025 3.135 1.00 0.00 C ATOM 907 C VAL A 57 -2.356 0.927 4.008 1.00 0.00 C ATOM 908 O VAL A 57 -2.669 2.053 3.623 1.00 0.00 O ATOM 909 CB VAL A 57 -2.273 -0.706 2.049 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.540 0.211 0.854 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.552 -1.982 1.610 1.00 0.00 C ATOM 0 H VAL A 57 -1.104 -1.901 3.873 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.765 0.666 2.620 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.235 -0.993 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.104 -0.333 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.114 1.078 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.592 0.543 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.136 -2.482 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.569 -1.727 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.436 -2.647 2.466 1.00 0.00 H new ATOM 921 N LYS A 58 -2.725 0.399 5.166 1.00 0.00 N ATOM 922 CA LYS A 58 -3.557 1.144 6.095 1.00 0.00 C ATOM 923 C LYS A 58 -2.770 2.340 6.631 1.00 0.00 C ATOM 924 O LYS A 58 -3.235 3.477 6.557 1.00 0.00 O ATOM 925 CB LYS A 58 -4.094 0.219 7.191 1.00 0.00 C ATOM 926 CG LYS A 58 -5.444 0.714 7.712 1.00 0.00 C ATOM 927 CD LYS A 58 -6.551 -0.301 7.415 1.00 0.00 C ATOM 928 CE LYS A 58 -7.393 0.142 6.216 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.703 -0.546 6.220 1.00 0.00 N ATOM 0 H LYS A 58 -2.463 -0.535 5.482 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.435 1.543 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.200 -0.792 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.379 0.169 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.382 0.887 8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.688 1.670 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.110 -1.277 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.190 -0.415 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.542 1.221 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.862 -0.079 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.261 -0.234 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.555 -1.574 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.214 -0.314 7.095 1.00 0.00 H new ATOM 943 N LYS A 59 -1.593 2.045 7.161 1.00 0.00 N ATOM 944 CA LYS A 59 -0.737 3.083 7.710 1.00 0.00 C ATOM 945 C LYS A 59 -0.710 4.275 6.751 1.00 0.00 C ATOM 946 O LYS A 59 -0.578 5.420 7.180 1.00 0.00 O ATOM 947 CB LYS A 59 0.649 2.521 8.032 1.00 0.00 C ATOM 948 CG LYS A 59 1.418 3.459 8.964 1.00 0.00 C ATOM 949 CD LYS A 59 2.928 3.319 8.760 1.00 0.00 C ATOM 950 CE LYS A 59 3.689 3.662 10.042 1.00 0.00 C ATOM 951 NZ LYS A 59 4.234 2.435 10.666 1.00 0.00 N ATOM 0 H LYS A 59 -1.211 1.101 7.222 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.136 3.444 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.549 1.541 8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.211 2.379 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.116 4.490 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.165 3.235 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.164 2.300 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.252 3.977 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.501 4.353 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.024 4.169 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.747 2.686 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.454 1.788 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.884 1.968 10.003 1.00 0.00 H new ATOM 965 N LEU A 60 -0.836 3.965 5.468 1.00 0.00 N ATOM 966 CA LEU A 60 -0.827 4.997 4.444 1.00 0.00 C ATOM 967 C LEU A 60 -2.166 5.736 4.461 1.00 0.00 C ATOM 968 O LEU A 60 -2.239 6.886 4.894 1.00 0.00 O ATOM 969 CB LEU A 60 -0.472 4.396 3.082 1.00 0.00 C ATOM 970 CG LEU A 60 1.002 4.465 2.683 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.519 3.091 2.252 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.230 5.527 1.604 1.00 0.00 C ATOM 0 H LEU A 60 -0.945 3.014 5.115 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.053 5.735 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.781 3.351 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.059 4.906 2.318 1.00 0.00 H new ATOM 0 HG LEU A 60 1.578 4.766 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.570 3.169 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.413 2.387 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.942 2.737 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.287 5.555 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.641 5.281 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.925 6.502 1.983 1.00 0.00 H new ATOM 984 N GLU A 61 -3.192 5.047 3.983 1.00 0.00 N ATOM 985 CA GLU A 61 -4.524 5.625 3.937 1.00 0.00 C ATOM 986 C GLU A 61 -4.750 6.537 5.145 1.00 0.00 C ATOM 987 O GLU A 61 -5.127 7.697 4.989 1.00 0.00 O ATOM 988 CB GLU A 61 -5.593 4.533 3.869 1.00 0.00 C ATOM 989 CG GLU A 61 -5.896 4.152 2.418 1.00 0.00 C ATOM 990 CD GLU A 61 -7.281 4.649 1.998 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.187 4.599 2.857 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.401 5.069 0.827 1.00 0.00 O ATOM 0 H GLU A 61 -3.128 4.094 3.624 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.606 6.226 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.255 3.653 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.504 4.880 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.138 4.578 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.844 3.069 2.304 1.00 0.00 H new ATOM 999 N GLU A 62 -4.507 5.979 6.322 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.679 6.727 7.555 1.00 0.00 C ATOM 1001 C GLU A 62 -3.869 8.025 7.505 1.00 0.00 C ATOM 1002 O GLU A 62 -4.439 9.113 7.433 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.285 5.883 8.768 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.509 5.544 9.621 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.534 6.380 10.902 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -5.580 7.622 10.768 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.506 5.759 11.986 1.00 0.00 O ATOM 0 H GLU A 62 -4.192 5.017 6.447 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.734 6.982 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.804 4.964 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.556 6.424 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.418 5.725 9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.498 4.484 9.875 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.555 7.867 7.546 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.661 9.013 7.505 1.00 0.00 C ATOM 1016 C GLU A 63 -2.017 9.923 6.328 1.00 0.00 C ATOM 1017 O GLU A 63 -2.179 11.130 6.499 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.200 8.566 7.430 1.00 0.00 C ATOM 1019 CG GLU A 63 0.669 9.371 8.399 1.00 0.00 C ATOM 1020 CD GLU A 63 0.799 8.655 9.744 1.00 0.00 C ATOM 1021 OE1 GLU A 63 1.131 7.450 9.716 1.00 0.00 O ATOM 1022 OE2 GLU A 63 0.563 9.328 10.771 1.00 0.00 O ATOM 0 H GLU A 63 -2.087 6.963 7.607 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.787 9.580 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.128 7.504 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.171 8.692 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.658 9.522 7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.233 10.359 8.549 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.130 9.309 5.159 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.464 10.050 3.955 1.00 0.00 C ATOM 1031 C ILE A 64 -3.763 10.826 4.183 1.00 0.00 C ATOM 1032 O ILE A 64 -3.898 11.962 3.730 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.513 9.112 2.747 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.170 8.407 2.545 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.961 9.860 1.490 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -0.982 7.992 1.085 1.00 0.00 C ATOM 0 H ILE A 64 -1.996 8.307 5.020 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.689 10.783 3.731 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.256 8.340 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.359 9.070 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.117 7.527 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.987 9.170 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.956 10.276 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.260 10.667 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.020 7.493 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.781 7.310 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.011 8.877 0.449 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.685 10.183 4.885 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.967 10.800 5.177 1.00 0.00 C ATOM 1050 C LYS A 65 -5.756 11.974 6.136 1.00 0.00 C ATOM 1051 O LYS A 65 -6.605 12.859 6.236 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.958 9.756 5.694 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.769 9.155 4.545 1.00 0.00 C ATOM 1054 CD LYS A 65 -8.729 8.078 5.055 1.00 0.00 C ATOM 1055 CE LYS A 65 -10.185 8.511 4.877 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.782 7.852 3.693 1.00 0.00 N ATOM 0 H LYS A 65 -4.569 9.241 5.260 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.411 11.205 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.419 8.965 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.631 10.215 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.333 9.941 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.094 8.725 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.555 7.146 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.531 7.879 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.758 8.257 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.237 9.594 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.771 8.157 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.245 8.115 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.750 6.820 3.817 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.620 11.945 6.816 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.286 12.995 7.763 1.00 0.00 C ATOM 1072 C LYS A 66 -3.403 14.036 7.073 1.00 0.00 C ATOM 1073 O LYS A 66 -3.468 15.222 7.395 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.662 12.399 9.026 1.00 0.00 C ATOM 1075 CG LYS A 66 -4.327 12.963 10.285 1.00 0.00 C ATOM 1076 CD LYS A 66 -3.278 13.441 11.291 1.00 0.00 C ATOM 1077 CE LYS A 66 -3.268 12.551 12.536 1.00 0.00 C ATOM 1078 NZ LYS A 66 -3.792 13.291 13.705 1.00 0.00 N ATOM 0 H LYS A 66 -3.918 11.210 6.730 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.188 13.510 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.766 11.314 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.594 12.616 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.981 13.792 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.954 12.198 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.292 13.433 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.487 14.472 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.873 11.662 12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.253 12.210 12.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.779 12.673 14.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.198 14.126 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.768 13.595 13.515 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.598 13.556 6.137 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.703 14.431 5.398 1.00 0.00 C ATOM 1094 C LEU A 67 -2.514 15.558 4.756 1.00 0.00 C ATOM 1095 O LEU A 67 -2.682 15.591 3.538 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.872 13.625 4.398 1.00 0.00 C ATOM 1097 CG LEU A 67 0.329 12.873 4.976 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.763 11.736 4.048 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.481 13.833 5.282 1.00 0.00 C ATOM 0 H LEU A 67 -2.547 12.572 5.873 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.985 14.898 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.527 12.903 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.513 14.303 3.624 1.00 0.00 H new ATOM 0 HG LEU A 67 0.026 12.421 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.618 11.218 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.061 11.034 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.042 12.145 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.322 13.273 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.791 14.334 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.152 14.577 6.008 1.00 0.00 H new