USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 363 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0251) USER MOD Single : B 1 LYS N :NH3+ -146:sc= -0.0254 (180deg=-1.04) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -162:sc= -0.0159 (180deg=-0.191) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.217 -0.814 0.821 1.00 11.00 N ATOM 2 CA GLU A 1 16.953 -1.528 0.801 1.00 43.05 C ATOM 3 C GLU A 1 15.838 -0.621 0.276 1.00 33.14 C ATOM 4 O GLU A 1 15.287 0.186 1.024 1.00 11.43 O ATOM 5 CB GLU A 1 16.608 -2.072 2.189 1.00 2.31 C ATOM 6 CG GLU A 1 16.076 -3.504 2.100 1.00 33.22 C ATOM 7 CD GLU A 1 17.158 -4.461 1.596 1.00 12.53 C ATOM 8 OE1 GLU A 1 18.155 -4.629 2.330 1.00 3.23 O ATOM 9 OE2 GLU A 1 16.963 -5.003 0.487 1.00 3.35 O ATOM 0 H1 GLU A 1 18.965 -1.442 1.179 1.00 11.00 H new ATOM 0 H2 GLU A 1 18.457 -0.505 -0.143 1.00 11.00 H new ATOM 0 H3 GLU A 1 18.136 0.017 1.441 1.00 11.00 H new ATOM 0 HA GLU A 1 17.050 -2.379 0.127 1.00 43.05 H new ATOM 0 HB2 GLU A 1 17.494 -2.048 2.823 1.00 2.31 H new ATOM 0 HB3 GLU A 1 15.862 -1.432 2.659 1.00 2.31 H new ATOM 0 HG2 GLU A 1 15.727 -3.828 3.081 1.00 33.22 H new ATOM 0 HG3 GLU A 1 15.217 -3.536 1.430 1.00 33.22 H new ATOM 16 N ILE A 2 15.539 -0.783 -1.004 1.00 22.42 N ATOM 17 CA ILE A 2 14.501 0.011 -1.637 1.00 63.11 C ATOM 18 C ILE A 2 13.228 -0.828 -1.764 1.00 24.41 C ATOM 19 O ILE A 2 12.121 -0.300 -1.685 1.00 52.45 O ATOM 20 CB ILE A 2 14.997 0.580 -2.968 1.00 43.43 C ATOM 21 CG1 ILE A 2 15.228 -0.537 -3.989 1.00 75.22 C ATOM 22 CG2 ILE A 2 16.247 1.438 -2.765 1.00 73.01 C ATOM 23 CD1 ILE A 2 14.163 -0.504 -5.086 1.00 42.31 C ATOM 0 H ILE A 2 15.998 -1.453 -1.620 1.00 22.42 H new ATOM 0 HA ILE A 2 14.254 0.875 -1.020 1.00 63.11 H new ATOM 0 HB ILE A 2 14.222 1.231 -3.372 1.00 43.43 H new ATOM 0 HG12 ILE A 2 16.217 -0.429 -4.434 1.00 75.22 H new ATOM 0 HG13 ILE A 2 15.208 -1.504 -3.486 1.00 75.22 H new ATOM 0 HG21 ILE A 2 16.579 1.830 -3.726 1.00 73.01 H new ATOM 0 HG22 ILE A 2 16.015 2.266 -2.096 1.00 73.01 H new ATOM 0 HG23 ILE A 2 17.039 0.830 -2.328 1.00 73.01 H new ATOM 0 HD11 ILE A 2 14.350 -1.307 -5.799 1.00 42.31 H new ATOM 0 HD12 ILE A 2 13.177 -0.636 -4.640 1.00 42.31 H new ATOM 0 HD13 ILE A 2 14.202 0.455 -5.602 1.00 42.31 H new ATOM 35 N ALA A 3 13.428 -2.124 -1.957 1.00 22.13 N ATOM 36 CA ALA A 3 12.311 -3.043 -2.094 1.00 12.14 C ATOM 37 C ALA A 3 11.576 -3.149 -0.757 1.00 31.13 C ATOM 38 O ALA A 3 10.405 -3.523 -0.716 1.00 41.50 O ATOM 39 CB ALA A 3 12.821 -4.397 -2.590 1.00 62.31 C ATOM 0 H ALA A 3 14.348 -2.559 -2.022 1.00 22.13 H new ATOM 0 HA ALA A 3 11.599 -2.674 -2.832 1.00 12.14 H new ATOM 0 HB1 ALA A 3 11.983 -5.086 -2.693 1.00 62.31 H new ATOM 0 HB2 ALA A 3 13.307 -4.271 -3.557 1.00 62.31 H new ATOM 0 HB3 ALA A 3 13.537 -4.801 -1.874 1.00 62.31 H new ATOM 45 N ALA A 4 12.295 -2.814 0.305 1.00 44.51 N ATOM 46 CA ALA A 4 11.725 -2.868 1.640 1.00 22.51 C ATOM 47 C ALA A 4 10.678 -1.762 1.788 1.00 72.51 C ATOM 48 O ALA A 4 9.556 -2.019 2.223 1.00 21.32 O ATOM 49 CB ALA A 4 12.845 -2.754 2.677 1.00 73.24 C ATOM 0 H ALA A 4 13.266 -2.505 0.268 1.00 44.51 H new ATOM 0 HA ALA A 4 11.223 -3.821 1.805 1.00 22.51 H new ATOM 0 HB1 ALA A 4 12.418 -2.794 3.679 1.00 73.24 H new ATOM 0 HB2 ALA A 4 13.546 -3.579 2.548 1.00 73.24 H new ATOM 0 HB3 ALA A 4 13.369 -1.808 2.544 1.00 73.24 H new ATOM 55 N LEU A 5 11.082 -0.555 1.419 1.00 64.51 N ATOM 56 CA LEU A 5 10.192 0.590 1.506 1.00 52.53 C ATOM 57 C LEU A 5 8.982 0.360 0.598 1.00 34.25 C ATOM 58 O LEU A 5 7.861 0.722 0.950 1.00 44.25 O ATOM 59 CB LEU A 5 10.953 1.882 1.202 1.00 74.15 C ATOM 60 CG LEU A 5 11.801 2.445 2.344 1.00 13.21 C ATOM 61 CD1 LEU A 5 10.994 2.524 3.640 1.00 70.33 C ATOM 62 CD2 LEU A 5 13.089 1.638 2.519 1.00 14.11 C ATOM 0 H LEU A 5 12.013 -0.345 1.059 1.00 64.51 H new ATOM 0 HA LEU A 5 9.812 0.702 2.521 1.00 52.53 H new ATOM 0 HB2 LEU A 5 11.604 1.704 0.346 1.00 74.15 H new ATOM 0 HB3 LEU A 5 10.232 2.643 0.902 1.00 74.15 H new ATOM 0 HG LEU A 5 12.091 3.463 2.084 1.00 13.21 H new ATOM 0 HD11 LEU A 5 11.621 2.928 4.435 1.00 70.33 H new ATOM 0 HD12 LEU A 5 10.132 3.174 3.493 1.00 70.33 H new ATOM 0 HD13 LEU A 5 10.653 1.527 3.918 1.00 70.33 H new ATOM 0 HD21 LEU A 5 13.674 2.059 3.337 1.00 14.11 H new ATOM 0 HD22 LEU A 5 12.841 0.601 2.746 1.00 14.11 H new ATOM 0 HD23 LEU A 5 13.671 1.678 1.599 1.00 14.11 H new ATOM 74 N GLU A 6 9.251 -0.240 -0.552 1.00 32.32 N ATOM 75 CA GLU A 6 8.199 -0.522 -1.513 1.00 54.43 C ATOM 76 C GLU A 6 7.138 -1.431 -0.887 1.00 14.24 C ATOM 77 O GLU A 6 5.942 -1.185 -1.033 1.00 24.22 O ATOM 78 CB GLU A 6 8.772 -1.145 -2.787 1.00 51.54 C ATOM 79 CG GLU A 6 8.331 -0.363 -4.026 1.00 74.10 C ATOM 80 CD GLU A 6 9.054 -0.864 -5.277 1.00 4.12 C ATOM 81 OE1 GLU A 6 8.653 -1.940 -5.773 1.00 73.33 O ATOM 82 OE2 GLU A 6 9.993 -0.162 -5.711 1.00 20.02 O ATOM 0 H GLU A 6 10.183 -0.539 -0.840 1.00 32.32 H new ATOM 0 HA GLU A 6 7.725 0.420 -1.790 1.00 54.43 H new ATOM 0 HB2 GLU A 6 9.860 -1.161 -2.731 1.00 51.54 H new ATOM 0 HB3 GLU A 6 8.442 -2.181 -2.870 1.00 51.54 H new ATOM 0 HG2 GLU A 6 7.254 -0.464 -4.159 1.00 74.10 H new ATOM 0 HG3 GLU A 6 8.537 0.698 -3.883 1.00 74.10 H new ATOM 89 N LYS A 7 7.617 -2.461 -0.205 1.00 43.05 N ATOM 90 CA LYS A 7 6.725 -3.408 0.443 1.00 31.11 C ATOM 91 C LYS A 7 5.657 -2.641 1.226 1.00 44.05 C ATOM 92 O LYS A 7 4.564 -3.156 1.457 1.00 74.43 O ATOM 93 CB LYS A 7 7.522 -4.396 1.297 1.00 42.21 C ATOM 94 CG LYS A 7 7.215 -5.840 0.893 1.00 10.55 C ATOM 95 CD LYS A 7 8.444 -6.733 1.078 1.00 70.22 C ATOM 96 CE LYS A 7 8.062 -8.060 1.739 1.00 4.43 C ATOM 97 NZ LYS A 7 8.409 -9.196 0.856 1.00 24.12 N ATOM 0 H LYS A 7 8.610 -2.661 -0.087 1.00 43.05 H new ATOM 0 HA LYS A 7 6.205 -4.012 -0.300 1.00 31.11 H new ATOM 0 HB2 LYS A 7 8.589 -4.202 1.185 1.00 42.21 H new ATOM 0 HB3 LYS A 7 7.281 -4.250 2.350 1.00 42.21 H new ATOM 0 HG2 LYS A 7 6.389 -6.222 1.494 1.00 10.55 H new ATOM 0 HG3 LYS A 7 6.892 -5.870 -0.148 1.00 10.55 H new ATOM 0 HD2 LYS A 7 8.908 -6.925 0.110 1.00 70.22 H new ATOM 0 HD3 LYS A 7 9.184 -6.217 1.690 1.00 70.22 H new ATOM 0 HE2 LYS A 7 8.580 -8.161 2.692 1.00 4.43 H new ATOM 0 HE3 LYS A 7 6.994 -8.072 1.954 1.00 4.43 H new ATOM 0 HZ1 LYS A 7 8.144 -10.089 1.319 1.00 24.12 H new ATOM 0 HZ2 LYS A 7 7.895 -9.106 -0.044 1.00 24.12 H new ATOM 0 HZ3 LYS A 7 9.433 -9.192 0.672 1.00 24.12 H new ATOM 111 N GLU A 8 6.010 -1.425 1.612 1.00 32.32 N ATOM 112 CA GLU A 8 5.095 -0.583 2.364 1.00 20.15 C ATOM 113 C GLU A 8 3.986 -0.056 1.451 1.00 1.42 C ATOM 114 O GLU A 8 2.824 0.003 1.850 1.00 60.12 O ATOM 115 CB GLU A 8 5.841 0.569 3.041 1.00 63.13 C ATOM 116 CG GLU A 8 7.024 0.049 3.861 1.00 71.53 C ATOM 117 CD GLU A 8 7.093 0.744 5.223 1.00 15.24 C ATOM 118 OE1 GLU A 8 7.253 1.984 5.220 1.00 20.23 O ATOM 119 OE2 GLU A 8 6.986 0.020 6.236 1.00 63.11 O ATOM 0 H GLU A 8 6.918 -1.002 1.418 1.00 32.32 H new ATOM 0 HA GLU A 8 4.637 -1.187 3.148 1.00 20.15 H new ATOM 0 HB2 GLU A 8 6.197 1.270 2.286 1.00 63.13 H new ATOM 0 HB3 GLU A 8 5.158 1.118 3.689 1.00 63.13 H new ATOM 0 HG2 GLU A 8 6.928 -1.028 4.002 1.00 71.53 H new ATOM 0 HG3 GLU A 8 7.952 0.218 3.315 1.00 71.53 H new ATOM 126 N ILE A 9 4.385 0.314 0.242 1.00 60.14 N ATOM 127 CA ILE A 9 3.439 0.833 -0.731 1.00 72.13 C ATOM 128 C ILE A 9 2.347 -0.209 -0.982 1.00 63.01 C ATOM 129 O ILE A 9 1.232 0.136 -1.369 1.00 62.01 O ATOM 130 CB ILE A 9 4.166 1.280 -2.000 1.00 21.03 C ATOM 131 CG1 ILE A 9 4.567 0.076 -2.855 1.00 63.11 C ATOM 132 CG2 ILE A 9 5.367 2.166 -1.661 1.00 61.21 C ATOM 133 CD1 ILE A 9 3.964 0.173 -4.257 1.00 52.12 C ATOM 0 H ILE A 9 5.350 0.265 -0.085 1.00 60.14 H new ATOM 0 HA ILE A 9 2.946 1.724 -0.344 1.00 72.13 H new ATOM 0 HB ILE A 9 3.478 1.882 -2.593 1.00 21.03 H new ATOM 0 HG12 ILE A 9 5.653 0.022 -2.926 1.00 63.11 H new ATOM 0 HG13 ILE A 9 4.232 -0.843 -2.374 1.00 63.11 H new ATOM 0 HG21 ILE A 9 5.866 2.470 -2.581 1.00 61.21 H new ATOM 0 HG22 ILE A 9 5.026 3.051 -1.124 1.00 61.21 H new ATOM 0 HG23 ILE A 9 6.065 1.609 -1.036 1.00 61.21 H new ATOM 0 HD11 ILE A 9 4.265 -0.695 -4.843 1.00 52.12 H new ATOM 0 HD12 ILE A 9 2.877 0.203 -4.184 1.00 52.12 H new ATOM 0 HD13 ILE A 9 4.320 1.081 -4.744 1.00 52.12 H new ATOM 145 N ALA A 10 2.706 -1.463 -0.750 1.00 13.33 N ATOM 146 CA ALA A 10 1.772 -2.558 -0.947 1.00 41.33 C ATOM 147 C ALA A 10 0.575 -2.375 -0.012 1.00 75.11 C ATOM 148 O ALA A 10 -0.552 -2.716 -0.367 1.00 25.13 O ATOM 149 CB ALA A 10 2.491 -3.890 -0.720 1.00 52.45 C ATOM 0 H ALA A 10 3.632 -1.745 -0.427 1.00 13.33 H new ATOM 0 HA ALA A 10 1.395 -2.562 -1.970 1.00 41.33 H new ATOM 0 HB1 ALA A 10 1.790 -4.712 -0.868 1.00 52.45 H new ATOM 0 HB2 ALA A 10 3.315 -3.984 -1.428 1.00 52.45 H new ATOM 0 HB3 ALA A 10 2.881 -3.924 0.297 1.00 52.45 H new ATOM 155 N ALA A 11 0.860 -1.835 1.164 1.00 2.42 N ATOM 156 CA ALA A 11 -0.179 -1.603 2.152 1.00 74.50 C ATOM 157 C ALA A 11 -1.202 -0.616 1.587 1.00 60.01 C ATOM 158 O ALA A 11 -2.407 -0.799 1.760 1.00 15.31 O ATOM 159 CB ALA A 11 0.456 -1.104 3.452 1.00 41.02 C ATOM 0 H ALA A 11 1.796 -1.552 1.454 1.00 2.42 H new ATOM 0 HA ALA A 11 -0.706 -2.529 2.381 1.00 74.50 H new ATOM 0 HB1 ALA A 11 -0.323 -0.930 4.194 1.00 41.02 H new ATOM 0 HB2 ALA A 11 1.153 -1.853 3.827 1.00 41.02 H new ATOM 0 HB3 ALA A 11 0.991 -0.173 3.262 1.00 41.02 H new ATOM 165 N LEU A 12 -0.686 0.408 0.924 1.00 51.31 N ATOM 166 CA LEU A 12 -1.540 1.424 0.333 1.00 2.23 C ATOM 167 C LEU A 12 -2.276 0.828 -0.869 1.00 51.44 C ATOM 168 O LEU A 12 -3.357 1.292 -1.232 1.00 31.34 O ATOM 169 CB LEU A 12 -0.729 2.677 -0.003 1.00 21.31 C ATOM 170 CG LEU A 12 -0.244 3.502 1.192 1.00 2.32 C ATOM 171 CD1 LEU A 12 -1.400 3.820 2.143 1.00 31.34 C ATOM 172 CD2 LEU A 12 0.912 2.801 1.908 1.00 23.42 C ATOM 0 H LEU A 12 0.313 0.556 0.783 1.00 51.31 H new ATOM 0 HA LEU A 12 -2.299 1.746 1.046 1.00 2.23 H new ATOM 0 HB2 LEU A 12 0.140 2.377 -0.589 1.00 21.31 H new ATOM 0 HB3 LEU A 12 -1.337 3.319 -0.640 1.00 21.31 H new ATOM 0 HG LEU A 12 0.137 4.453 0.820 1.00 2.32 H new ATOM 0 HD11 LEU A 12 -1.029 4.407 2.983 1.00 31.34 H new ATOM 0 HD12 LEU A 12 -2.162 4.389 1.611 1.00 31.34 H new ATOM 0 HD13 LEU A 12 -1.833 2.891 2.513 1.00 31.34 H new ATOM 0 HD21 LEU A 12 1.238 3.408 2.753 1.00 23.42 H new ATOM 0 HD22 LEU A 12 0.580 1.827 2.267 1.00 23.42 H new ATOM 0 HD23 LEU A 12 1.743 2.668 1.215 1.00 23.42 H new ATOM 184 N GLU A 13 -1.663 -0.190 -1.453 1.00 11.55 N ATOM 185 CA GLU A 13 -2.245 -0.853 -2.608 1.00 70.23 C ATOM 186 C GLU A 13 -3.544 -1.561 -2.212 1.00 0.45 C ATOM 187 O GLU A 13 -4.496 -1.597 -2.989 1.00 0.21 O ATOM 188 CB GLU A 13 -1.255 -1.835 -3.235 1.00 23.52 C ATOM 189 CG GLU A 13 -1.137 -1.609 -4.743 1.00 32.10 C ATOM 190 CD GLU A 13 0.283 -1.187 -5.124 1.00 11.43 C ATOM 191 OE1 GLU A 13 0.961 -0.614 -4.245 1.00 14.03 O ATOM 192 OE2 GLU A 13 0.660 -1.447 -6.288 1.00 45.23 O ATOM 0 H GLU A 13 -0.768 -0.573 -1.148 1.00 11.55 H new ATOM 0 HA GLU A 13 -2.478 -0.097 -3.358 1.00 70.23 H new ATOM 0 HB2 GLU A 13 -0.277 -1.718 -2.769 1.00 23.52 H new ATOM 0 HB3 GLU A 13 -1.580 -2.857 -3.041 1.00 23.52 H new ATOM 0 HG2 GLU A 13 -1.403 -2.523 -5.273 1.00 32.10 H new ATOM 0 HG3 GLU A 13 -1.845 -0.841 -5.056 1.00 32.10 H new ATOM 199 N LYS A 14 -3.539 -2.106 -1.005 1.00 70.41 N ATOM 200 CA LYS A 14 -4.703 -2.811 -0.497 1.00 51.45 C ATOM 201 C LYS A 14 -5.829 -1.806 -0.238 1.00 64.42 C ATOM 202 O LYS A 14 -7.006 -2.160 -0.289 1.00 22.42 O ATOM 203 CB LYS A 14 -4.332 -3.648 0.728 1.00 74.33 C ATOM 204 CG LYS A 14 -5.221 -4.888 0.835 1.00 51.42 C ATOM 205 CD LYS A 14 -4.831 -5.740 2.044 1.00 73.24 C ATOM 206 CE LYS A 14 -5.839 -6.868 2.269 1.00 42.32 C ATOM 207 NZ LYS A 14 -5.144 -8.113 2.666 1.00 64.31 N ATOM 0 H LYS A 14 -2.747 -2.074 -0.363 1.00 70.41 H new ATOM 0 HA LYS A 14 -5.071 -3.521 -1.238 1.00 51.45 H new ATOM 0 HB2 LYS A 14 -3.287 -3.950 0.663 1.00 74.33 H new ATOM 0 HB3 LYS A 14 -4.434 -3.044 1.630 1.00 74.33 H new ATOM 0 HG2 LYS A 14 -6.265 -4.585 0.921 1.00 51.42 H new ATOM 0 HG3 LYS A 14 -5.135 -5.481 -0.075 1.00 51.42 H new ATOM 0 HD2 LYS A 14 -3.837 -6.161 1.891 1.00 73.24 H new ATOM 0 HD3 LYS A 14 -4.778 -5.112 2.934 1.00 73.24 H new ATOM 0 HE2 LYS A 14 -6.550 -6.579 3.043 1.00 42.32 H new ATOM 0 HE3 LYS A 14 -6.412 -7.039 1.357 1.00 42.32 H new ATOM 0 HZ1 LYS A 14 -5.843 -8.869 2.815 1.00 64.31 H new ATOM 0 HZ2 LYS A 14 -4.483 -8.396 1.915 1.00 64.31 H new ATOM 0 HZ3 LYS A 14 -4.617 -7.950 3.548 1.00 64.31 H new ATOM 221 N GLU A 15 -5.427 -0.574 0.035 1.00 51.43 N ATOM 222 CA GLU A 15 -6.387 0.484 0.302 1.00 11.21 C ATOM 223 C GLU A 15 -7.134 0.860 -0.979 1.00 0.35 C ATOM 224 O GLU A 15 -8.267 1.336 -0.925 1.00 33.14 O ATOM 225 CB GLU A 15 -5.699 1.707 0.914 1.00 63.11 C ATOM 226 CG GLU A 15 -6.063 1.857 2.393 1.00 45.03 C ATOM 227 CD GLU A 15 -4.969 1.272 3.289 1.00 53.21 C ATOM 228 OE1 GLU A 15 -3.786 1.548 2.995 1.00 53.22 O ATOM 229 OE2 GLU A 15 -5.341 0.563 4.248 1.00 60.51 O ATOM 0 H GLU A 15 -4.450 -0.284 0.077 1.00 51.43 H new ATOM 0 HA GLU A 15 -7.112 0.114 1.027 1.00 11.21 H new ATOM 0 HB2 GLU A 15 -4.618 1.611 0.810 1.00 63.11 H new ATOM 0 HB3 GLU A 15 -5.993 2.605 0.370 1.00 63.11 H new ATOM 0 HG2 GLU A 15 -6.208 2.911 2.631 1.00 45.03 H new ATOM 0 HG3 GLU A 15 -7.009 1.353 2.591 1.00 45.03 H new ATOM 236 N ILE A 16 -6.468 0.633 -2.102 1.00 62.13 N ATOM 237 CA ILE A 16 -7.055 0.942 -3.395 1.00 64.11 C ATOM 238 C ILE A 16 -8.240 0.008 -3.649 1.00 22.30 C ATOM 239 O ILE A 16 -9.201 0.385 -4.318 1.00 32.21 O ATOM 240 CB ILE A 16 -5.989 0.895 -4.492 1.00 22.11 C ATOM 241 CG1 ILE A 16 -4.826 1.833 -4.166 1.00 14.42 C ATOM 242 CG2 ILE A 16 -6.600 1.194 -5.863 1.00 24.24 C ATOM 243 CD1 ILE A 16 -3.571 1.445 -4.950 1.00 5.34 C ATOM 0 H ILE A 16 -5.528 0.239 -2.143 1.00 62.13 H new ATOM 0 HA ILE A 16 -7.444 1.960 -3.403 1.00 64.11 H new ATOM 0 HB ILE A 16 -5.585 -0.117 -4.533 1.00 22.11 H new ATOM 0 HG12 ILE A 16 -5.105 2.860 -4.404 1.00 14.42 H new ATOM 0 HG13 ILE A 16 -4.616 1.799 -3.097 1.00 14.42 H new ATOM 0 HG21 ILE A 16 -5.821 1.154 -6.625 1.00 24.24 H new ATOM 0 HG22 ILE A 16 -7.367 0.453 -6.089 1.00 24.24 H new ATOM 0 HG23 ILE A 16 -7.047 2.188 -5.853 1.00 24.24 H new ATOM 0 HD11 ILE A 16 -2.760 2.128 -4.699 1.00 5.34 H new ATOM 0 HD12 ILE A 16 -3.281 0.427 -4.691 1.00 5.34 H new ATOM 0 HD13 ILE A 16 -3.777 1.503 -6.019 1.00 5.34 H new ATOM 255 N ALA A 17 -8.132 -1.194 -3.102 1.00 4.13 N ATOM 256 CA ALA A 17 -9.183 -2.186 -3.261 1.00 1.13 C ATOM 257 C ALA A 17 -10.414 -1.750 -2.463 1.00 0.43 C ATOM 258 O ALA A 17 -11.543 -1.906 -2.924 1.00 32.41 O ATOM 259 CB ALA A 17 -8.661 -3.557 -2.826 1.00 13.42 C ATOM 0 H ALA A 17 -7.333 -1.504 -2.548 1.00 4.13 H new ATOM 0 HA ALA A 17 -9.480 -2.267 -4.307 1.00 1.13 H new ATOM 0 HB1 ALA A 17 -9.449 -4.301 -2.945 1.00 13.42 H new ATOM 0 HB2 ALA A 17 -7.805 -3.833 -3.442 1.00 13.42 H new ATOM 0 HB3 ALA A 17 -8.356 -3.515 -1.780 1.00 13.42 H new ATOM 265 N ALA A 18 -10.152 -1.214 -1.280 1.00 51.44 N ATOM 266 CA ALA A 18 -11.225 -0.754 -0.414 1.00 63.32 C ATOM 267 C ALA A 18 -12.236 0.041 -1.240 1.00 72.34 C ATOM 268 O ALA A 18 -13.444 -0.125 -1.077 1.00 43.34 O ATOM 269 CB ALA A 18 -10.637 0.065 0.737 1.00 11.34 C ATOM 0 H ALA A 18 -9.213 -1.088 -0.901 1.00 51.44 H new ATOM 0 HA ALA A 18 -11.753 -1.600 0.026 1.00 63.32 H new ATOM 0 HB1 ALA A 18 -11.442 0.410 1.386 1.00 11.34 H new ATOM 0 HB2 ALA A 18 -9.949 -0.556 1.311 1.00 11.34 H new ATOM 0 HB3 ALA A 18 -10.101 0.925 0.335 1.00 11.34 H new ATOM 275 N LEU A 19 -11.707 0.891 -2.109 1.00 25.41 N ATOM 276 CA LEU A 19 -12.548 1.712 -2.960 1.00 54.12 C ATOM 277 C LEU A 19 -13.538 0.818 -3.710 1.00 22.35 C ATOM 278 O LEU A 19 -14.748 0.934 -3.526 1.00 15.35 O ATOM 279 CB LEU A 19 -11.691 2.585 -3.879 1.00 75.30 C ATOM 280 CG LEU A 19 -12.347 3.029 -5.188 1.00 22.11 C ATOM 281 CD1 LEU A 19 -13.323 4.183 -4.948 1.00 51.21 C ATOM 282 CD2 LEU A 19 -11.293 3.379 -6.239 1.00 12.22 C ATOM 0 H LEU A 19 -10.705 1.028 -2.241 1.00 25.41 H new ATOM 0 HA LEU A 19 -13.137 2.404 -2.358 1.00 54.12 H new ATOM 0 HB2 LEU A 19 -11.392 3.475 -3.326 1.00 75.30 H new ATOM 0 HB3 LEU A 19 -10.779 2.038 -4.120 1.00 75.30 H new ATOM 0 HG LEU A 19 -12.926 2.193 -5.580 1.00 22.11 H new ATOM 0 HD11 LEU A 19 -13.776 4.480 -5.894 1.00 51.21 H new ATOM 0 HD12 LEU A 19 -14.103 3.862 -4.258 1.00 51.21 H new ATOM 0 HD13 LEU A 19 -12.787 5.030 -4.521 1.00 51.21 H new ATOM 0 HD21 LEU A 19 -11.787 3.691 -7.159 1.00 12.22 H new ATOM 0 HD22 LEU A 19 -10.667 4.191 -5.870 1.00 12.22 H new ATOM 0 HD23 LEU A 19 -10.673 2.505 -6.438 1.00 12.22 H new ATOM 294 N GLU A 20 -12.984 -0.056 -4.539 1.00 61.55 N ATOM 295 CA GLU A 20 -13.803 -0.971 -5.316 1.00 50.32 C ATOM 296 C GLU A 20 -14.766 -1.730 -4.402 1.00 10.25 C ATOM 297 O GLU A 20 -15.981 -1.652 -4.573 1.00 53.34 O ATOM 298 CB GLU A 20 -12.931 -1.939 -6.119 1.00 51.33 C ATOM 299 CG GLU A 20 -13.716 -2.547 -7.284 1.00 55.13 C ATOM 300 CD GLU A 20 -12.992 -2.318 -8.612 1.00 1.05 C ATOM 301 OE1 GLU A 20 -13.209 -1.236 -9.198 1.00 53.35 O ATOM 302 OE2 GLU A 20 -12.237 -3.231 -9.011 1.00 33.22 O ATOM 0 H GLU A 20 -11.979 -0.149 -4.689 1.00 61.55 H new ATOM 0 HA GLU A 20 -14.391 -0.388 -6.025 1.00 50.32 H new ATOM 0 HB2 GLU A 20 -12.055 -1.414 -6.501 1.00 51.33 H new ATOM 0 HB3 GLU A 20 -12.568 -2.733 -5.467 1.00 51.33 H new ATOM 0 HG2 GLU A 20 -13.850 -3.616 -7.118 1.00 55.13 H new ATOM 0 HG3 GLU A 20 -14.711 -2.104 -7.327 1.00 55.13 H new ATOM 309 N LYS A 21 -14.186 -2.449 -3.451 1.00 73.34 N ATOM 310 CA LYS A 21 -14.979 -3.222 -2.510 1.00 33.24 C ATOM 311 C LYS A 21 -14.301 -3.196 -1.138 1.00 33.21 C ATOM 312 O LYS A 21 -13.592 -4.132 -0.774 1.00 53.33 O ATOM 313 CB LYS A 21 -15.224 -4.633 -3.048 1.00 34.31 C ATOM 314 CG LYS A 21 -16.689 -5.037 -2.879 1.00 53.42 C ATOM 315 CD LYS A 21 -16.947 -5.596 -1.479 1.00 70.24 C ATOM 316 CE LYS A 21 -18.346 -5.219 -0.987 1.00 41.03 C ATOM 317 NZ LYS A 21 -19.381 -5.863 -1.827 1.00 60.12 N ATOM 0 H LYS A 21 -13.177 -2.512 -3.312 1.00 73.34 H new ATOM 0 HA LYS A 21 -15.966 -2.777 -2.387 1.00 33.24 H new ATOM 0 HB2 LYS A 21 -14.950 -4.677 -4.102 1.00 34.31 H new ATOM 0 HB3 LYS A 21 -14.584 -5.342 -2.523 1.00 34.31 H new ATOM 0 HG2 LYS A 21 -17.330 -4.173 -3.053 1.00 53.42 H new ATOM 0 HG3 LYS A 21 -16.952 -5.785 -3.627 1.00 53.42 H new ATOM 0 HD2 LYS A 21 -16.842 -6.681 -1.492 1.00 70.24 H new ATOM 0 HD3 LYS A 21 -16.198 -5.212 -0.786 1.00 70.24 H new ATOM 0 HE2 LYS A 21 -18.468 -5.527 0.051 1.00 41.03 H new ATOM 0 HE3 LYS A 21 -18.468 -4.136 -1.015 1.00 41.03 H new ATOM 0 HZ1 LYS A 21 -20.324 -5.638 -1.450 1.00 60.12 H new ATOM 0 HZ2 LYS A 21 -19.306 -5.510 -2.802 1.00 60.12 H new ATOM 0 HZ3 LYS A 21 -19.242 -6.894 -1.820 1.00 60.12 H new TER 331 LYS A 21 ATOM 332 N LYS B 1 17.882 4.292 -1.663 1.00 22.44 N ATOM 333 CA LYS B 1 16.823 5.285 -1.729 1.00 71.52 C ATOM 334 C LYS B 1 15.664 4.849 -0.831 1.00 62.51 C ATOM 335 O LYS B 1 14.907 3.946 -1.184 1.00 62.15 O ATOM 336 CB LYS B 1 16.415 5.537 -3.182 1.00 62.15 C ATOM 337 CG LYS B 1 16.692 6.986 -3.586 1.00 2.40 C ATOM 338 CD LYS B 1 18.195 7.242 -3.711 1.00 41.00 C ATOM 339 CE LYS B 1 18.485 8.271 -4.806 1.00 31.23 C ATOM 340 NZ LYS B 1 19.260 7.653 -5.905 1.00 40.51 N ATOM 0 H1 LYS B 1 18.805 4.763 -1.744 1.00 22.44 H new ATOM 0 H2 LYS B 1 17.829 3.788 -0.755 1.00 22.44 H new ATOM 0 H3 LYS B 1 17.770 3.613 -2.443 1.00 22.44 H new ATOM 0 HA LYS B 1 17.176 6.244 -1.350 1.00 71.52 H new ATOM 0 HB2 LYS B 1 16.962 4.862 -3.839 1.00 62.15 H new ATOM 0 HB3 LYS B 1 15.355 5.317 -3.309 1.00 62.15 H new ATOM 0 HG2 LYS B 1 16.202 7.203 -4.535 1.00 2.40 H new ATOM 0 HG3 LYS B 1 16.265 7.662 -2.845 1.00 2.40 H new ATOM 0 HD2 LYS B 1 18.588 7.598 -2.759 1.00 41.00 H new ATOM 0 HD3 LYS B 1 18.709 6.308 -3.939 1.00 41.00 H new ATOM 0 HE2 LYS B 1 17.549 8.672 -5.194 1.00 31.23 H new ATOM 0 HE3 LYS B 1 19.041 9.110 -4.387 1.00 31.23 H new ATOM 0 HZ1 LYS B 1 19.448 8.365 -6.640 1.00 40.51 H new ATOM 0 HZ2 LYS B 1 20.162 7.292 -5.533 1.00 40.51 H new ATOM 0 HZ3 LYS B 1 18.715 6.868 -6.315 1.00 40.51 H new ATOM 354 N ILE B 2 15.562 5.508 0.314 1.00 13.44 N ATOM 355 CA ILE B 2 14.509 5.200 1.265 1.00 63.12 C ATOM 356 C ILE B 2 13.541 6.383 1.349 1.00 72.31 C ATOM 357 O ILE B 2 12.340 6.195 1.541 1.00 35.45 O ATOM 358 CB ILE B 2 15.106 4.796 2.614 1.00 33.02 C ATOM 359 CG1 ILE B 2 15.746 5.999 3.312 1.00 22.22 C ATOM 360 CG2 ILE B 2 16.091 3.637 2.453 1.00 73.00 C ATOM 361 CD1 ILE B 2 14.739 6.701 4.226 1.00 35.12 C ATOM 0 H ILE B 2 16.193 6.255 0.604 1.00 13.44 H new ATOM 0 HA ILE B 2 13.932 4.339 0.928 1.00 63.12 H new ATOM 0 HB ILE B 2 14.297 4.444 3.254 1.00 33.02 H new ATOM 0 HG12 ILE B 2 16.606 5.670 3.896 1.00 22.22 H new ATOM 0 HG13 ILE B 2 16.117 6.702 2.566 1.00 22.22 H new ATOM 0 HG21 ILE B 2 16.501 3.370 3.427 1.00 73.00 H new ATOM 0 HG22 ILE B 2 15.574 2.776 2.028 1.00 73.00 H new ATOM 0 HG23 ILE B 2 16.901 3.938 1.789 1.00 73.00 H new ATOM 0 HD11 ILE B 2 15.218 7.552 4.710 1.00 35.12 H new ATOM 0 HD12 ILE B 2 13.892 7.050 3.635 1.00 35.12 H new ATOM 0 HD13 ILE B 2 14.388 6.002 4.985 1.00 35.12 H new ATOM 373 N ALA B 3 14.101 7.575 1.202 1.00 73.14 N ATOM 374 CA ALA B 3 13.303 8.788 1.259 1.00 41.33 C ATOM 375 C ALA B 3 12.440 8.886 -0.001 1.00 0.41 C ATOM 376 O ALA B 3 11.390 9.526 0.009 1.00 33.53 O ATOM 377 CB ALA B 3 14.223 9.997 1.431 1.00 33.43 C ATOM 0 H ALA B 3 15.097 7.727 1.044 1.00 73.14 H new ATOM 0 HA ALA B 3 12.631 8.765 2.117 1.00 41.33 H new ATOM 0 HB1 ALA B 3 13.624 10.907 1.474 1.00 33.43 H new ATOM 0 HB2 ALA B 3 14.791 9.893 2.355 1.00 33.43 H new ATOM 0 HB3 ALA B 3 14.910 10.054 0.587 1.00 33.43 H new ATOM 383 N ALA B 4 12.916 8.242 -1.057 1.00 32.33 N ATOM 384 CA ALA B 4 12.203 8.250 -2.323 1.00 63.35 C ATOM 385 C ALA B 4 10.929 7.412 -2.189 1.00 30.34 C ATOM 386 O ALA B 4 9.827 7.917 -2.390 1.00 43.45 O ATOM 387 CB ALA B 4 13.124 7.737 -3.431 1.00 72.12 C ATOM 0 H ALA B 4 13.787 7.711 -1.062 1.00 32.33 H new ATOM 0 HA ALA B 4 11.906 9.264 -2.591 1.00 63.35 H new ATOM 0 HB1 ALA B 4 12.589 7.743 -4.381 1.00 72.12 H new ATOM 0 HB2 ALA B 4 14.000 8.382 -3.504 1.00 72.12 H new ATOM 0 HB3 ALA B 4 13.440 6.720 -3.199 1.00 72.12 H new ATOM 393 N LEU B 5 11.125 6.146 -1.850 1.00 72.11 N ATOM 394 CA LEU B 5 10.005 5.234 -1.687 1.00 64.31 C ATOM 395 C LEU B 5 9.030 5.809 -0.657 1.00 61.22 C ATOM 396 O LEU B 5 7.815 5.702 -0.821 1.00 34.41 O ATOM 397 CB LEU B 5 10.504 3.829 -1.344 1.00 33.43 C ATOM 398 CG LEU B 5 11.140 3.043 -2.493 1.00 53.53 C ATOM 399 CD1 LEU B 5 10.090 2.647 -3.533 1.00 62.12 C ATOM 400 CD2 LEU B 5 12.298 3.826 -3.117 1.00 41.23 C ATOM 0 H LEU B 5 12.042 5.731 -1.684 1.00 72.11 H new ATOM 0 HA LEU B 5 9.457 5.133 -2.624 1.00 64.31 H new ATOM 0 HB2 LEU B 5 11.234 3.911 -0.539 1.00 33.43 H new ATOM 0 HB3 LEU B 5 9.665 3.252 -0.956 1.00 33.43 H new ATOM 0 HG LEU B 5 11.556 2.121 -2.088 1.00 53.53 H new ATOM 0 HD11 LEU B 5 10.568 2.090 -4.339 1.00 62.12 H new ATOM 0 HD12 LEU B 5 9.329 2.024 -3.063 1.00 62.12 H new ATOM 0 HD13 LEU B 5 9.624 3.545 -3.940 1.00 62.12 H new ATOM 0 HD21 LEU B 5 12.733 3.246 -3.931 1.00 41.23 H new ATOM 0 HD22 LEU B 5 11.928 4.775 -3.505 1.00 41.23 H new ATOM 0 HD23 LEU B 5 13.059 4.016 -2.360 1.00 41.23 H new ATOM 412 N LYS B 6 9.599 6.404 0.381 1.00 61.15 N ATOM 413 CA LYS B 6 8.795 6.995 1.437 1.00 51.43 C ATOM 414 C LYS B 6 7.745 7.920 0.816 1.00 20.23 C ATOM 415 O LYS B 6 6.579 7.889 1.204 1.00 44.04 O ATOM 416 CB LYS B 6 9.689 7.686 2.469 1.00 2.32 C ATOM 417 CG LYS B 6 9.550 7.028 3.843 1.00 2.22 C ATOM 418 CD LYS B 6 10.103 7.935 4.944 1.00 73.14 C ATOM 419 CE LYS B 6 9.543 7.540 6.311 1.00 73.43 C ATOM 420 NZ LYS B 6 9.718 8.644 7.282 1.00 34.14 N ATOM 0 H LYS B 6 10.607 6.489 0.513 1.00 61.15 H new ATOM 0 HA LYS B 6 8.256 6.221 1.983 1.00 51.43 H new ATOM 0 HB2 LYS B 6 10.728 7.641 2.144 1.00 2.32 H new ATOM 0 HB3 LYS B 6 9.422 8.741 2.538 1.00 2.32 H new ATOM 0 HG2 LYS B 6 8.501 6.809 4.041 1.00 2.22 H new ATOM 0 HG3 LYS B 6 10.081 6.076 3.850 1.00 2.22 H new ATOM 0 HD2 LYS B 6 11.191 7.871 4.960 1.00 73.14 H new ATOM 0 HD3 LYS B 6 9.848 8.972 4.728 1.00 73.14 H new ATOM 0 HE2 LYS B 6 8.485 7.293 6.220 1.00 73.43 H new ATOM 0 HE3 LYS B 6 10.050 6.645 6.673 1.00 73.43 H new ATOM 0 HZ1 LYS B 6 9.332 8.359 8.205 1.00 34.14 H new ATOM 0 HZ2 LYS B 6 10.730 8.861 7.382 1.00 34.14 H new ATOM 0 HZ3 LYS B 6 9.215 9.488 6.942 1.00 34.14 H new ATOM 434 N GLU B 7 8.198 8.721 -0.137 1.00 61.42 N ATOM 435 CA GLU B 7 7.313 9.652 -0.815 1.00 13.22 C ATOM 436 C GLU B 7 6.289 8.891 -1.660 1.00 75.32 C ATOM 437 O GLU B 7 5.161 9.351 -1.836 1.00 65.24 O ATOM 438 CB GLU B 7 8.108 10.638 -1.673 1.00 11.31 C ATOM 439 CG GLU B 7 7.557 12.058 -1.530 1.00 60.22 C ATOM 440 CD GLU B 7 8.329 13.038 -2.416 1.00 43.23 C ATOM 441 OE1 GLU B 7 9.510 13.285 -2.094 1.00 3.34 O ATOM 442 OE2 GLU B 7 7.718 13.517 -3.397 1.00 35.44 O ATOM 0 H GLU B 7 9.167 8.744 -0.456 1.00 61.42 H new ATOM 0 HA GLU B 7 6.777 10.228 -0.061 1.00 13.22 H new ATOM 0 HB2 GLU B 7 9.157 10.620 -1.377 1.00 11.31 H new ATOM 0 HB3 GLU B 7 8.066 10.332 -2.718 1.00 11.31 H new ATOM 0 HG2 GLU B 7 6.501 12.071 -1.801 1.00 60.22 H new ATOM 0 HG3 GLU B 7 7.623 12.374 -0.489 1.00 60.22 H new ATOM 449 N LYS B 8 6.718 7.742 -2.159 1.00 43.44 N ATOM 450 CA LYS B 8 5.852 6.914 -2.982 1.00 20.10 C ATOM 451 C LYS B 8 4.695 6.390 -2.129 1.00 3.02 C ATOM 452 O LYS B 8 3.582 6.218 -2.625 1.00 32.30 O ATOM 453 CB LYS B 8 6.659 5.810 -3.668 1.00 30.32 C ATOM 454 CG LYS B 8 5.758 4.929 -4.534 1.00 12.24 C ATOM 455 CD LYS B 8 6.387 3.552 -4.757 1.00 23.35 C ATOM 456 CE LYS B 8 6.811 3.372 -6.216 1.00 22.10 C ATOM 457 NZ LYS B 8 7.100 1.949 -6.500 1.00 24.34 N ATOM 0 H LYS B 8 7.654 7.364 -2.010 1.00 43.44 H new ATOM 0 HA LYS B 8 5.414 7.504 -3.787 1.00 20.10 H new ATOM 0 HB2 LYS B 8 7.440 6.255 -4.285 1.00 30.32 H new ATOM 0 HB3 LYS B 8 7.157 5.198 -2.916 1.00 30.32 H new ATOM 0 HG2 LYS B 8 4.786 4.815 -4.055 1.00 12.24 H new ATOM 0 HG3 LYS B 8 5.585 5.413 -5.495 1.00 12.24 H new ATOM 0 HD2 LYS B 8 7.253 3.434 -4.106 1.00 23.35 H new ATOM 0 HD3 LYS B 8 5.674 2.774 -4.483 1.00 23.35 H new ATOM 0 HE2 LYS B 8 6.021 3.728 -6.877 1.00 22.10 H new ATOM 0 HE3 LYS B 8 7.694 3.977 -6.421 1.00 22.10 H new ATOM 0 HZ1 LYS B 8 7.386 1.845 -7.494 1.00 24.34 H new ATOM 0 HZ2 LYS B 8 7.869 1.621 -5.882 1.00 24.34 H new ATOM 0 HZ3 LYS B 8 6.248 1.380 -6.324 1.00 24.34 H new ATOM 471 N ILE B 9 4.997 6.151 -0.862 1.00 70.31 N ATOM 472 CA ILE B 9 3.996 5.650 0.065 1.00 74.12 C ATOM 473 C ILE B 9 2.875 6.681 0.204 1.00 41.02 C ATOM 474 O ILE B 9 1.697 6.341 0.100 1.00 22.14 O ATOM 475 CB ILE B 9 4.643 5.263 1.396 1.00 2.12 C ATOM 476 CG1 ILE B 9 5.700 4.174 1.195 1.00 74.43 C ATOM 477 CG2 ILE B 9 3.585 4.853 2.422 1.00 71.03 C ATOM 478 CD1 ILE B 9 6.721 4.184 2.335 1.00 74.11 C ATOM 0 H ILE B 9 5.921 6.295 -0.455 1.00 70.31 H new ATOM 0 HA ILE B 9 3.544 4.736 -0.321 1.00 74.12 H new ATOM 0 HB ILE B 9 5.154 6.139 1.795 1.00 2.12 H new ATOM 0 HG12 ILE B 9 5.217 3.198 1.143 1.00 74.43 H new ATOM 0 HG13 ILE B 9 6.210 4.328 0.244 1.00 74.43 H new ATOM 0 HG21 ILE B 9 4.072 4.583 3.359 1.00 71.03 H new ATOM 0 HG22 ILE B 9 2.903 5.686 2.594 1.00 71.03 H new ATOM 0 HG23 ILE B 9 3.025 3.998 2.045 1.00 71.03 H new ATOM 0 HD11 ILE B 9 7.461 3.401 2.168 1.00 74.11 H new ATOM 0 HD12 ILE B 9 7.219 5.153 2.369 1.00 74.11 H new ATOM 0 HD13 ILE B 9 6.211 4.005 3.282 1.00 74.11 H new ATOM 490 N ALA B 10 3.280 7.921 0.437 1.00 55.41 N ATOM 491 CA ALA B 10 2.324 9.005 0.591 1.00 63.32 C ATOM 492 C ALA B 10 1.517 9.155 -0.701 1.00 72.53 C ATOM 493 O ALA B 10 0.402 9.676 -0.684 1.00 35.15 O ATOM 494 CB ALA B 10 3.064 10.289 0.969 1.00 4.34 C ATOM 0 H ALA B 10 4.258 8.199 0.523 1.00 55.41 H new ATOM 0 HA ALA B 10 1.621 8.786 1.395 1.00 63.32 H new ATOM 0 HB1 ALA B 10 2.347 11.102 1.084 1.00 4.34 H new ATOM 0 HB2 ALA B 10 3.597 10.139 1.908 1.00 4.34 H new ATOM 0 HB3 ALA B 10 3.777 10.543 0.184 1.00 4.34 H new ATOM 500 N ALA B 11 2.111 8.688 -1.789 1.00 33.13 N ATOM 501 CA ALA B 11 1.462 8.764 -3.087 1.00 73.40 C ATOM 502 C ALA B 11 0.163 7.955 -3.051 1.00 21.23 C ATOM 503 O ALA B 11 -0.926 8.519 -3.145 1.00 65.22 O ATOM 504 CB ALA B 11 2.425 8.273 -4.169 1.00 55.22 C ATOM 0 H ALA B 11 3.035 8.256 -1.799 1.00 33.13 H new ATOM 0 HA ALA B 11 1.202 9.795 -3.326 1.00 73.40 H new ATOM 0 HB1 ALA B 11 1.938 8.330 -5.143 1.00 55.22 H new ATOM 0 HB2 ALA B 11 3.318 8.898 -4.173 1.00 55.22 H new ATOM 0 HB3 ALA B 11 2.706 7.240 -3.964 1.00 55.22 H new ATOM 510 N LEU B 12 0.323 6.647 -2.914 1.00 5.51 N ATOM 511 CA LEU B 12 -0.822 5.755 -2.866 1.00 63.11 C ATOM 512 C LEU B 12 -1.714 6.141 -1.684 1.00 54.42 C ATOM 513 O LEU B 12 -2.928 5.949 -1.729 1.00 41.45 O ATOM 514 CB LEU B 12 -0.364 4.295 -2.838 1.00 60.41 C ATOM 515 CG LEU B 12 0.285 3.771 -4.119 1.00 15.33 C ATOM 516 CD1 LEU B 12 -0.651 3.939 -5.317 1.00 61.54 C ATOM 517 CD2 LEU B 12 1.644 4.434 -4.358 1.00 73.52 C ATOM 0 H LEU B 12 1.228 6.184 -2.835 1.00 5.51 H new ATOM 0 HA LEU B 12 -1.424 5.859 -3.769 1.00 63.11 H new ATOM 0 HB2 LEU B 12 0.345 4.173 -2.019 1.00 60.41 H new ATOM 0 HB3 LEU B 12 -1.226 3.669 -2.609 1.00 60.41 H new ATOM 0 HG LEU B 12 0.464 2.703 -3.997 1.00 15.33 H new ATOM 0 HD11 LEU B 12 -0.165 3.558 -6.215 1.00 61.54 H new ATOM 0 HD12 LEU B 12 -1.572 3.383 -5.140 1.00 61.54 H new ATOM 0 HD13 LEU B 12 -0.885 4.995 -5.451 1.00 61.54 H new ATOM 0 HD21 LEU B 12 2.083 4.043 -5.276 1.00 73.52 H new ATOM 0 HD22 LEU B 12 1.512 5.512 -4.450 1.00 73.52 H new ATOM 0 HD23 LEU B 12 2.306 4.220 -3.519 1.00 73.52 H new ATOM 529 N LYS B 13 -1.078 6.681 -0.655 1.00 33.31 N ATOM 530 CA LYS B 13 -1.798 7.097 0.536 1.00 72.45 C ATOM 531 C LYS B 13 -2.739 8.251 0.180 1.00 60.51 C ATOM 532 O LYS B 13 -3.826 8.368 0.746 1.00 22.25 O ATOM 533 CB LYS B 13 -0.822 7.426 1.667 1.00 1.33 C ATOM 534 CG LYS B 13 -1.523 7.390 3.026 1.00 3.34 C ATOM 535 CD LYS B 13 -0.557 6.955 4.129 1.00 64.51 C ATOM 536 CE LYS B 13 -1.105 7.318 5.512 1.00 3.33 C ATOM 537 NZ LYS B 13 -1.005 8.777 5.741 1.00 2.33 N ATOM 0 H LYS B 13 -0.071 6.840 -0.622 1.00 33.31 H new ATOM 0 HA LYS B 13 -2.418 6.282 0.910 1.00 72.45 H new ATOM 0 HB2 LYS B 13 0.002 6.712 1.660 1.00 1.33 H new ATOM 0 HB3 LYS B 13 -0.390 8.413 1.503 1.00 1.33 H new ATOM 0 HG2 LYS B 13 -1.925 8.376 3.258 1.00 3.34 H new ATOM 0 HG3 LYS B 13 -2.368 6.702 2.985 1.00 3.34 H new ATOM 0 HD2 LYS B 13 -0.392 5.879 4.070 1.00 64.51 H new ATOM 0 HD3 LYS B 13 0.411 7.434 3.980 1.00 64.51 H new ATOM 0 HE2 LYS B 13 -2.145 7.001 5.592 1.00 3.33 H new ATOM 0 HE3 LYS B 13 -0.549 6.784 6.282 1.00 3.33 H new ATOM 0 HZ1 LYS B 13 -1.085 8.975 6.759 1.00 2.33 H new ATOM 0 HZ2 LYS B 13 -0.088 9.121 5.392 1.00 2.33 H new ATOM 0 HZ3 LYS B 13 -1.772 9.262 5.233 1.00 2.33 H new ATOM 551 N GLU B 14 -2.287 9.074 -0.754 1.00 51.01 N ATOM 552 CA GLU B 14 -3.074 10.214 -1.191 1.00 11.01 C ATOM 553 C GLU B 14 -4.122 9.775 -2.215 1.00 34.10 C ATOM 554 O GLU B 14 -5.240 10.287 -2.223 1.00 71.03 O ATOM 555 CB GLU B 14 -2.176 11.314 -1.762 1.00 40.30 C ATOM 556 CG GLU B 14 -2.182 12.550 -0.862 1.00 54.10 C ATOM 557 CD GLU B 14 -1.218 12.378 0.314 1.00 54.34 C ATOM 558 OE1 GLU B 14 -1.406 11.394 1.062 1.00 13.15 O ATOM 559 OE2 GLU B 14 -0.315 13.233 0.437 1.00 51.41 O ATOM 0 H GLU B 14 -1.385 8.974 -1.220 1.00 51.01 H new ATOM 0 HA GLU B 14 -3.592 10.626 -0.325 1.00 11.01 H new ATOM 0 HB2 GLU B 14 -1.157 10.940 -1.865 1.00 40.30 H new ATOM 0 HB3 GLU B 14 -2.518 11.586 -2.761 1.00 40.30 H new ATOM 0 HG2 GLU B 14 -1.900 13.428 -1.443 1.00 54.10 H new ATOM 0 HG3 GLU B 14 -3.190 12.726 -0.487 1.00 54.10 H new ATOM 566 N LYS B 15 -3.723 8.830 -3.054 1.00 60.03 N ATOM 567 CA LYS B 15 -4.614 8.316 -4.080 1.00 40.21 C ATOM 568 C LYS B 15 -5.813 7.636 -3.414 1.00 1.42 C ATOM 569 O LYS B 15 -6.960 7.968 -3.706 1.00 52.40 O ATOM 570 CB LYS B 15 -3.851 7.408 -5.046 1.00 4.41 C ATOM 571 CG LYS B 15 -4.342 7.601 -6.483 1.00 4.22 C ATOM 572 CD LYS B 15 -4.132 6.329 -7.308 1.00 52.34 C ATOM 573 CE LYS B 15 -3.752 6.669 -8.751 1.00 52.02 C ATOM 574 NZ LYS B 15 -3.553 5.433 -9.539 1.00 11.15 N ATOM 0 H LYS B 15 -2.795 8.407 -3.044 1.00 60.03 H new ATOM 0 HA LYS B 15 -5.006 9.132 -4.688 1.00 40.21 H new ATOM 0 HB2 LYS B 15 -2.784 7.626 -4.990 1.00 4.41 H new ATOM 0 HB3 LYS B 15 -3.980 6.367 -4.751 1.00 4.41 H new ATOM 0 HG2 LYS B 15 -5.399 7.865 -6.478 1.00 4.22 H new ATOM 0 HG3 LYS B 15 -3.808 8.431 -6.945 1.00 4.22 H new ATOM 0 HD2 LYS B 15 -3.348 5.722 -6.855 1.00 52.34 H new ATOM 0 HD3 LYS B 15 -5.043 5.731 -7.299 1.00 52.34 H new ATOM 0 HE2 LYS B 15 -4.535 7.276 -9.206 1.00 52.02 H new ATOM 0 HE3 LYS B 15 -2.840 7.265 -8.762 1.00 52.02 H new ATOM 0 HZ1 LYS B 15 -3.296 5.682 -10.516 1.00 11.15 H new ATOM 0 HZ2 LYS B 15 -2.790 4.869 -9.113 1.00 11.15 H new ATOM 0 HZ3 LYS B 15 -4.433 4.879 -9.543 1.00 11.15 H new ATOM 588 N ILE B 16 -5.505 6.696 -2.533 1.00 21.24 N ATOM 589 CA ILE B 16 -6.542 5.965 -1.824 1.00 73.11 C ATOM 590 C ILE B 16 -7.463 6.959 -1.112 1.00 13.42 C ATOM 591 O ILE B 16 -8.662 6.718 -0.985 1.00 50.24 O ATOM 592 CB ILE B 16 -5.921 4.925 -0.890 1.00 41.14 C ATOM 593 CG1 ILE B 16 -4.932 5.576 0.078 1.00 73.02 C ATOM 594 CG2 ILE B 16 -5.279 3.787 -1.687 1.00 13.23 C ATOM 595 CD1 ILE B 16 -5.554 5.745 1.466 1.00 11.25 C ATOM 0 H ILE B 16 -4.552 6.423 -2.294 1.00 21.24 H new ATOM 0 HA ILE B 16 -7.159 5.402 -2.524 1.00 73.11 H new ATOM 0 HB ILE B 16 -6.718 4.488 -0.288 1.00 41.14 H new ATOM 0 HG12 ILE B 16 -4.033 4.964 0.151 1.00 73.02 H new ATOM 0 HG13 ILE B 16 -4.626 6.548 -0.308 1.00 73.02 H new ATOM 0 HG21 ILE B 16 -4.845 3.061 -0.999 1.00 13.23 H new ATOM 0 HG22 ILE B 16 -6.037 3.299 -2.299 1.00 13.23 H new ATOM 0 HG23 ILE B 16 -4.497 4.190 -2.331 1.00 13.23 H new ATOM 0 HD11 ILE B 16 -4.830 6.210 2.135 1.00 11.25 H new ATOM 0 HD12 ILE B 16 -6.439 6.377 1.394 1.00 11.25 H new ATOM 0 HD13 ILE B 16 -5.836 4.769 1.859 1.00 11.25 H new ATOM 607 N ALA B 17 -6.866 8.055 -0.667 1.00 63.22 N ATOM 608 CA ALA B 17 -7.618 9.086 0.029 1.00 23.13 C ATOM 609 C ALA B 17 -8.620 9.720 -0.938 1.00 62.31 C ATOM 610 O ALA B 17 -9.729 10.077 -0.542 1.00 30.02 O ATOM 611 CB ALA B 17 -6.650 10.112 0.621 1.00 3.31 C ATOM 0 H ALA B 17 -5.871 8.252 -0.775 1.00 63.22 H new ATOM 0 HA ALA B 17 -8.184 8.657 0.856 1.00 23.13 H new ATOM 0 HB1 ALA B 17 -7.214 10.885 1.143 1.00 3.31 H new ATOM 0 HB2 ALA B 17 -5.979 9.616 1.322 1.00 3.31 H new ATOM 0 HB3 ALA B 17 -6.067 10.566 -0.180 1.00 3.31 H new ATOM 617 N ALA B 18 -8.195 9.840 -2.186 1.00 52.33 N ATOM 618 CA ALA B 18 -9.042 10.424 -3.212 1.00 15.52 C ATOM 619 C ALA B 18 -10.248 9.514 -3.451 1.00 53.41 C ATOM 620 O ALA B 18 -11.342 9.993 -3.748 1.00 4.53 O ATOM 621 CB ALA B 18 -8.222 10.650 -4.484 1.00 1.53 C ATOM 0 H ALA B 18 -7.275 9.543 -2.511 1.00 52.33 H new ATOM 0 HA ALA B 18 -9.420 11.395 -2.890 1.00 15.52 H new ATOM 0 HB1 ALA B 18 -8.858 11.088 -5.254 1.00 1.53 H new ATOM 0 HB2 ALA B 18 -7.395 11.326 -4.268 1.00 1.53 H new ATOM 0 HB3 ALA B 18 -7.829 9.697 -4.838 1.00 1.53 H new ATOM 627 N LEU B 19 -10.009 8.219 -3.312 1.00 53.11 N ATOM 628 CA LEU B 19 -11.062 7.238 -3.508 1.00 43.15 C ATOM 629 C LEU B 19 -11.988 7.239 -2.290 1.00 4.04 C ATOM 630 O LEU B 19 -13.197 7.061 -2.424 1.00 52.22 O ATOM 631 CB LEU B 19 -10.464 5.866 -3.826 1.00 43.44 C ATOM 632 CG LEU B 19 -9.267 5.860 -4.779 1.00 73.51 C ATOM 633 CD1 LEU B 19 -8.661 4.460 -4.889 1.00 24.21 C ATOM 634 CD2 LEU B 19 -9.650 6.428 -6.146 1.00 53.45 C ATOM 0 H LEU B 19 -9.101 7.826 -3.066 1.00 53.11 H new ATOM 0 HA LEU B 19 -11.672 7.502 -4.372 1.00 43.15 H new ATOM 0 HB2 LEU B 19 -10.160 5.399 -2.890 1.00 43.44 H new ATOM 0 HB3 LEU B 19 -11.247 5.241 -4.255 1.00 43.44 H new ATOM 0 HG LEU B 19 -8.498 6.512 -4.365 1.00 73.51 H new ATOM 0 HD11 LEU B 19 -7.812 4.484 -5.572 1.00 24.21 H new ATOM 0 HD12 LEU B 19 -8.326 4.130 -3.906 1.00 24.21 H new ATOM 0 HD13 LEU B 19 -9.412 3.767 -5.268 1.00 24.21 H new ATOM 0 HD21 LEU B 19 -8.781 6.412 -6.803 1.00 53.45 H new ATOM 0 HD22 LEU B 19 -10.445 5.823 -6.581 1.00 53.45 H new ATOM 0 HD23 LEU B 19 -9.997 7.455 -6.029 1.00 53.45 H new ATOM 646 N LYS B 20 -11.383 7.439 -1.129 1.00 72.44 N ATOM 647 CA LYS B 20 -12.138 7.465 0.113 1.00 21.24 C ATOM 648 C LYS B 20 -13.118 8.639 0.086 1.00 12.22 C ATOM 649 O LYS B 20 -14.313 8.461 0.314 1.00 51.31 O ATOM 650 CB LYS B 20 -11.192 7.482 1.315 1.00 23.34 C ATOM 651 CG LYS B 20 -11.358 6.219 2.163 1.00 60.22 C ATOM 652 CD LYS B 20 -10.587 6.336 3.479 1.00 71.21 C ATOM 653 CE LYS B 20 -11.543 6.481 4.664 1.00 22.21 C ATOM 654 NZ LYS B 20 -10.888 7.211 5.773 1.00 14.20 N ATOM 0 H LYS B 20 -10.379 7.585 -1.021 1.00 72.44 H new ATOM 0 HA LYS B 20 -12.732 6.557 0.216 1.00 21.24 H new ATOM 0 HB2 LYS B 20 -10.161 7.559 0.970 1.00 23.34 H new ATOM 0 HB3 LYS B 20 -11.390 8.363 1.926 1.00 23.34 H new ATOM 0 HG2 LYS B 20 -12.415 6.052 2.370 1.00 60.22 H new ATOM 0 HG3 LYS B 20 -11.002 5.353 1.605 1.00 60.22 H new ATOM 0 HD2 LYS B 20 -9.962 5.454 3.618 1.00 71.21 H new ATOM 0 HD3 LYS B 20 -9.920 7.197 3.438 1.00 71.21 H new ATOM 0 HE2 LYS B 20 -12.441 7.013 4.351 1.00 22.21 H new ATOM 0 HE3 LYS B 20 -11.859 5.496 5.006 1.00 22.21 H new ATOM 0 HZ1 LYS B 20 -11.551 7.300 6.569 1.00 14.20 H new ATOM 0 HZ2 LYS B 20 -10.044 6.688 6.082 1.00 14.20 H new ATOM 0 HZ3 LYS B 20 -10.608 8.158 5.448 1.00 14.20 H new ATOM 668 N GLU B 21 -12.575 9.815 -0.197 1.00 20.50 N ATOM 669 CA GLU B 21 -13.386 11.018 -0.257 1.00 74.14 C ATOM 670 C GLU B 21 -14.098 11.111 -1.608 1.00 51.41 C ATOM 671 O GLU B 21 -15.303 10.878 -1.697 1.00 14.32 O ATOM 672 CB GLU B 21 -12.539 12.265 0.002 1.00 34.51 C ATOM 673 CG GLU B 21 -13.336 13.320 0.773 1.00 1.31 C ATOM 674 CD GLU B 21 -12.682 13.624 2.122 1.00 15.01 C ATOM 675 OE1 GLU B 21 -11.449 13.830 2.122 1.00 2.44 O ATOM 676 OE2 GLU B 21 -13.431 13.645 3.123 1.00 24.23 O ATOM 0 H GLU B 21 -11.583 9.959 -0.387 1.00 20.50 H new ATOM 0 HA GLU B 21 -14.141 10.962 0.527 1.00 74.14 H new ATOM 0 HB2 GLU B 21 -11.648 11.992 0.567 1.00 34.51 H new ATOM 0 HB3 GLU B 21 -12.200 12.682 -0.946 1.00 34.51 H new ATOM 0 HG2 GLU B 21 -13.402 14.234 0.183 1.00 1.31 H new ATOM 0 HG3 GLU B 21 -14.355 12.968 0.930 1.00 1.31 H new TER 683 GLU B 21