USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -155:sc= 0 (180deg=-0.298) 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+ 180:sc= 0 (180deg=0) 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 14.039 -0.460 5.294 1.00 11.00 N ATOM 2 CA GLU A 1 14.270 0.619 4.350 1.00 43.05 C ATOM 3 C GLU A 1 13.559 0.330 3.026 1.00 11.43 C ATOM 4 O GLU A 1 12.524 0.926 2.731 1.00 64.05 O ATOM 5 CB GLU A 1 15.767 0.844 4.128 1.00 5.33 C ATOM 6 CG GLU A 1 16.389 1.596 5.308 1.00 32.53 C ATOM 7 CD GLU A 1 17.583 0.828 5.878 1.00 5.51 C ATOM 8 OE1 GLU A 1 17.334 -0.214 6.520 1.00 21.34 O ATOM 9 OE2 GLU A 1 18.720 1.303 5.660 1.00 74.33 O ATOM 0 H1 GLU A 1 14.528 -0.250 6.188 1.00 11.00 H new ATOM 0 H2 GLU A 1 13.018 -0.554 5.471 1.00 11.00 H new ATOM 0 H3 GLU A 1 14.405 -1.350 4.900 1.00 11.00 H new ATOM 0 HA GLU A 1 13.856 1.535 4.771 1.00 43.05 H new ATOM 0 HB2 GLU A 1 16.268 -0.116 3.999 1.00 5.33 H new ATOM 0 HB3 GLU A 1 15.921 1.410 3.209 1.00 5.33 H new ATOM 0 HG2 GLU A 1 16.710 2.586 4.985 1.00 32.53 H new ATOM 0 HG3 GLU A 1 15.640 1.742 6.087 1.00 32.53 H new ATOM 16 N ILE A 2 14.140 -0.586 2.266 1.00 11.32 N ATOM 17 CA ILE A 2 13.574 -0.962 0.982 1.00 62.41 C ATOM 18 C ILE A 2 12.310 -1.794 1.210 1.00 50.41 C ATOM 19 O ILE A 2 11.396 -1.778 0.388 1.00 20.11 O ATOM 20 CB ILE A 2 14.624 -1.665 0.119 1.00 23.52 C ATOM 21 CG1 ILE A 2 14.991 -3.030 0.705 1.00 3.00 C ATOM 22 CG2 ILE A 2 15.855 -0.777 -0.079 1.00 41.10 C ATOM 23 CD1 ILE A 2 15.858 -3.830 -0.271 1.00 12.45 C ATOM 0 H ILE A 2 14.997 -1.079 2.515 1.00 11.32 H new ATOM 0 HA ILE A 2 13.276 -0.075 0.423 1.00 62.41 H new ATOM 0 HB ILE A 2 14.193 -1.843 -0.866 1.00 23.52 H new ATOM 0 HG12 ILE A 2 15.526 -2.894 1.645 1.00 3.00 H new ATOM 0 HG13 ILE A 2 14.083 -3.588 0.932 1.00 3.00 H new ATOM 0 HG21 ILE A 2 16.586 -1.300 -0.696 1.00 41.10 H new ATOM 0 HG22 ILE A 2 15.560 0.149 -0.573 1.00 41.10 H new ATOM 0 HG23 ILE A 2 16.297 -0.546 0.890 1.00 41.10 H new ATOM 0 HD11 ILE A 2 16.105 -4.796 0.169 1.00 12.45 H new ATOM 0 HD12 ILE A 2 15.311 -3.984 -1.201 1.00 12.45 H new ATOM 0 HD13 ILE A 2 16.776 -3.280 -0.477 1.00 12.45 H new ATOM 35 N ALA A 3 12.299 -2.499 2.332 1.00 41.43 N ATOM 36 CA ALA A 3 11.162 -3.334 2.679 1.00 34.21 C ATOM 37 C ALA A 3 9.969 -2.443 3.033 1.00 1.23 C ATOM 38 O ALA A 3 8.819 -2.861 2.911 1.00 21.44 O ATOM 39 CB ALA A 3 11.549 -4.274 3.823 1.00 74.23 C ATOM 0 H ALA A 3 13.059 -2.509 3.012 1.00 41.43 H new ATOM 0 HA ALA A 3 10.869 -3.955 1.832 1.00 34.21 H new ATOM 0 HB1 ALA A 3 10.696 -4.901 4.083 1.00 74.23 H new ATOM 0 HB2 ALA A 3 12.381 -4.905 3.510 1.00 74.23 H new ATOM 0 HB3 ALA A 3 11.846 -3.687 4.692 1.00 74.23 H new ATOM 45 N ALA A 4 10.285 -1.232 3.467 1.00 0.32 N ATOM 46 CA ALA A 4 9.254 -0.278 3.841 1.00 31.01 C ATOM 47 C ALA A 4 8.482 0.148 2.590 1.00 1.12 C ATOM 48 O ALA A 4 7.253 0.162 2.590 1.00 32.34 O ATOM 49 CB ALA A 4 9.893 0.908 4.565 1.00 24.41 C ATOM 0 H ALA A 4 11.240 -0.889 3.568 1.00 0.32 H new ATOM 0 HA ALA A 4 8.541 -0.733 4.529 1.00 31.01 H new ATOM 0 HB1 ALA A 4 9.119 1.623 4.845 1.00 24.41 H new ATOM 0 HB2 ALA A 4 10.403 0.555 5.461 1.00 24.41 H new ATOM 0 HB3 ALA A 4 10.613 1.392 3.905 1.00 24.41 H new ATOM 55 N LEU A 5 9.237 0.486 1.555 1.00 63.21 N ATOM 56 CA LEU A 5 8.640 0.912 0.301 1.00 55.51 C ATOM 57 C LEU A 5 7.757 -0.212 -0.246 1.00 22.42 C ATOM 58 O LEU A 5 6.652 0.038 -0.724 1.00 14.44 O ATOM 59 CB LEU A 5 9.721 1.377 -0.677 1.00 3.01 C ATOM 60 CG LEU A 5 9.541 0.941 -2.133 1.00 3.51 C ATOM 61 CD1 LEU A 5 9.855 -0.546 -2.301 1.00 74.44 C ATOM 62 CD2 LEU A 5 8.142 1.294 -2.642 1.00 24.11 C ATOM 0 H LEU A 5 10.257 0.473 1.559 1.00 63.21 H new ATOM 0 HA LEU A 5 7.995 1.776 0.460 1.00 55.51 H new ATOM 0 HB2 LEU A 5 9.766 2.466 -0.647 1.00 3.01 H new ATOM 0 HB3 LEU A 5 10.684 1.009 -0.325 1.00 3.01 H new ATOM 0 HG LEU A 5 10.254 1.492 -2.746 1.00 3.51 H new ATOM 0 HD11 LEU A 5 9.720 -0.831 -3.344 1.00 74.44 H new ATOM 0 HD12 LEU A 5 10.886 -0.736 -2.004 1.00 74.44 H new ATOM 0 HD13 LEU A 5 9.183 -1.133 -1.675 1.00 74.44 H new ATOM 0 HD21 LEU A 5 8.040 0.973 -3.679 1.00 24.11 H new ATOM 0 HD22 LEU A 5 7.394 0.788 -2.031 1.00 24.11 H new ATOM 0 HD23 LEU A 5 7.993 2.372 -2.579 1.00 24.11 H new ATOM 74 N GLU A 6 8.280 -1.427 -0.159 1.00 63.34 N ATOM 75 CA GLU A 6 7.554 -2.589 -0.640 1.00 74.31 C ATOM 76 C GLU A 6 6.208 -2.709 0.076 1.00 41.22 C ATOM 77 O GLU A 6 5.183 -2.958 -0.557 1.00 50.13 O ATOM 78 CB GLU A 6 8.383 -3.864 -0.466 1.00 13.22 C ATOM 79 CG GLU A 6 7.896 -4.967 -1.407 1.00 11.13 C ATOM 80 CD GLU A 6 9.076 -5.733 -2.009 1.00 72.22 C ATOM 81 OE1 GLU A 6 10.081 -5.064 -2.333 1.00 53.05 O ATOM 82 OE2 GLU A 6 8.946 -6.970 -2.133 1.00 75.21 O ATOM 0 H GLU A 6 9.197 -1.631 0.237 1.00 63.34 H new ATOM 0 HA GLU A 6 7.366 -2.459 -1.706 1.00 74.31 H new ATOM 0 HB2 GLU A 6 9.433 -3.649 -0.664 1.00 13.22 H new ATOM 0 HB3 GLU A 6 8.317 -4.207 0.567 1.00 13.22 H new ATOM 0 HG2 GLU A 6 7.250 -5.656 -0.863 1.00 11.13 H new ATOM 0 HG3 GLU A 6 7.296 -4.531 -2.205 1.00 11.13 H new ATOM 89 N LYS A 7 6.253 -2.525 1.388 1.00 45.35 N ATOM 90 CA LYS A 7 5.050 -2.608 2.198 1.00 73.25 C ATOM 91 C LYS A 7 4.139 -1.421 1.874 1.00 33.43 C ATOM 92 O LYS A 7 2.916 -1.544 1.913 1.00 2.43 O ATOM 93 CB LYS A 7 5.407 -2.722 3.680 1.00 3.34 C ATOM 94 CG LYS A 7 4.627 -3.856 4.347 1.00 3.55 C ATOM 95 CD LYS A 7 5.524 -5.074 4.581 1.00 72.21 C ATOM 96 CE LYS A 7 5.043 -6.274 3.762 1.00 42.12 C ATOM 97 NZ LYS A 7 5.460 -7.540 4.403 1.00 13.10 N ATOM 0 H LYS A 7 7.105 -2.319 1.910 1.00 45.35 H new ATOM 0 HA LYS A 7 4.492 -3.514 1.959 1.00 73.25 H new ATOM 0 HB2 LYS A 7 6.477 -2.900 3.787 1.00 3.34 H new ATOM 0 HB3 LYS A 7 5.188 -1.780 4.184 1.00 3.34 H new ATOM 0 HG2 LYS A 7 4.219 -3.512 5.298 1.00 3.55 H new ATOM 0 HG3 LYS A 7 3.781 -4.138 3.721 1.00 3.55 H new ATOM 0 HD2 LYS A 7 6.551 -4.831 4.309 1.00 72.21 H new ATOM 0 HD3 LYS A 7 5.527 -5.330 5.641 1.00 72.21 H new ATOM 0 HE2 LYS A 7 3.957 -6.247 3.670 1.00 42.12 H new ATOM 0 HE3 LYS A 7 5.450 -6.219 2.752 1.00 42.12 H new ATOM 0 HZ1 LYS A 7 5.125 -8.344 3.834 1.00 13.10 H new ATOM 0 HZ2 LYS A 7 6.497 -7.571 4.469 1.00 13.10 H new ATOM 0 HZ3 LYS A 7 5.051 -7.597 5.357 1.00 13.10 H new ATOM 111 N GLU A 8 4.771 -0.300 1.562 1.00 65.05 N ATOM 112 CA GLU A 8 4.034 0.908 1.231 1.00 50.00 C ATOM 113 C GLU A 8 3.211 0.696 -0.041 1.00 52.33 C ATOM 114 O GLU A 8 1.999 0.906 -0.043 1.00 75.30 O ATOM 115 CB GLU A 8 4.977 2.103 1.081 1.00 32.43 C ATOM 116 CG GLU A 8 5.600 2.482 2.426 1.00 52.42 C ATOM 117 CD GLU A 8 4.823 3.623 3.087 1.00 64.02 C ATOM 118 OE1 GLU A 8 4.588 4.630 2.384 1.00 4.11 O ATOM 119 OE2 GLU A 8 4.483 3.464 4.278 1.00 13.34 O ATOM 0 H GLU A 8 5.786 -0.202 1.531 1.00 65.05 H new ATOM 0 HA GLU A 8 3.350 1.128 2.051 1.00 50.00 H new ATOM 0 HB2 GLU A 8 5.764 1.862 0.367 1.00 32.43 H new ATOM 0 HB3 GLU A 8 4.429 2.954 0.677 1.00 32.43 H new ATOM 0 HG2 GLU A 8 5.609 1.614 3.085 1.00 52.42 H new ATOM 0 HG3 GLU A 8 6.638 2.781 2.279 1.00 52.42 H new ATOM 126 N ILE A 9 3.902 0.283 -1.094 1.00 5.14 N ATOM 127 CA ILE A 9 3.250 0.041 -2.369 1.00 31.52 C ATOM 128 C ILE A 9 2.230 -1.088 -2.209 1.00 32.31 C ATOM 129 O ILE A 9 1.120 -1.004 -2.731 1.00 70.50 O ATOM 130 CB ILE A 9 4.291 -0.219 -3.461 1.00 75.34 C ATOM 131 CG1 ILE A 9 5.092 -1.489 -3.163 1.00 43.22 C ATOM 132 CG2 ILE A 9 5.196 0.998 -3.658 1.00 4.45 C ATOM 133 CD1 ILE A 9 5.995 -1.856 -4.343 1.00 3.54 C ATOM 0 H ILE A 9 4.907 0.110 -1.090 1.00 5.14 H new ATOM 0 HA ILE A 9 2.699 0.925 -2.690 1.00 31.52 H new ATOM 0 HB ILE A 9 3.766 -0.383 -4.402 1.00 75.34 H new ATOM 0 HG12 ILE A 9 5.698 -1.340 -2.269 1.00 43.22 H new ATOM 0 HG13 ILE A 9 4.410 -2.313 -2.952 1.00 43.22 H new ATOM 0 HG21 ILE A 9 5.926 0.786 -4.439 1.00 4.45 H new ATOM 0 HG22 ILE A 9 4.592 1.857 -3.949 1.00 4.45 H new ATOM 0 HG23 ILE A 9 5.716 1.219 -2.726 1.00 4.45 H new ATOM 0 HD11 ILE A 9 6.553 -2.762 -4.106 1.00 3.54 H new ATOM 0 HD12 ILE A 9 5.384 -2.028 -5.229 1.00 3.54 H new ATOM 0 HD13 ILE A 9 6.692 -1.040 -4.535 1.00 3.54 H new ATOM 145 N ALA A 10 2.644 -2.118 -1.485 1.00 75.44 N ATOM 146 CA ALA A 10 1.780 -3.262 -1.251 1.00 33.34 C ATOM 147 C ALA A 10 0.477 -2.789 -0.603 1.00 41.13 C ATOM 148 O ALA A 10 -0.558 -3.440 -0.732 1.00 65.32 O ATOM 149 CB ALA A 10 2.517 -4.291 -0.392 1.00 3.05 C ATOM 0 H ALA A 10 3.566 -2.184 -1.053 1.00 75.44 H new ATOM 0 HA ALA A 10 1.523 -3.747 -2.193 1.00 33.34 H new ATOM 0 HB1 ALA A 10 1.869 -5.149 -0.216 1.00 3.05 H new ATOM 0 HB2 ALA A 10 3.419 -4.617 -0.909 1.00 3.05 H new ATOM 0 HB3 ALA A 10 2.789 -3.840 0.563 1.00 3.05 H new ATOM 155 N ALA A 11 0.571 -1.657 0.082 1.00 21.42 N ATOM 156 CA ALA A 11 -0.586 -1.089 0.750 1.00 10.51 C ATOM 157 C ALA A 11 -1.551 -0.529 -0.298 1.00 30.14 C ATOM 158 O ALA A 11 -2.702 -0.956 -0.377 1.00 33.54 O ATOM 159 CB ALA A 11 -0.127 -0.022 1.748 1.00 30.45 C ATOM 0 H ALA A 11 1.431 -1.119 0.188 1.00 21.42 H new ATOM 0 HA ALA A 11 -1.118 -1.856 1.313 1.00 10.51 H new ATOM 0 HB1 ALA A 11 -0.996 0.405 2.250 1.00 30.45 H new ATOM 0 HB2 ALA A 11 0.533 -0.475 2.488 1.00 30.45 H new ATOM 0 HB3 ALA A 11 0.409 0.765 1.218 1.00 30.45 H new ATOM 165 N LEU A 12 -1.046 0.416 -1.075 1.00 44.04 N ATOM 166 CA LEU A 12 -1.849 1.038 -2.115 1.00 51.33 C ATOM 167 C LEU A 12 -2.596 -0.047 -2.893 1.00 54.23 C ATOM 168 O LEU A 12 -3.687 0.194 -3.409 1.00 64.34 O ATOM 169 CB LEU A 12 -0.981 1.939 -2.995 1.00 44.13 C ATOM 170 CG LEU A 12 -1.546 2.272 -4.377 1.00 71.51 C ATOM 171 CD1 LEU A 12 -1.548 1.036 -5.281 1.00 1.32 C ATOM 172 CD2 LEU A 12 -2.936 2.901 -4.266 1.00 23.13 C ATOM 0 H LEU A 12 -0.091 0.767 -1.006 1.00 44.04 H new ATOM 0 HA LEU A 12 -2.602 1.692 -1.675 1.00 51.33 H new ATOM 0 HB2 LEU A 12 -0.805 2.873 -2.462 1.00 44.13 H new ATOM 0 HB3 LEU A 12 -0.011 1.459 -3.127 1.00 44.13 H new ATOM 0 HG LEU A 12 -0.894 3.012 -4.842 1.00 71.51 H new ATOM 0 HD11 LEU A 12 -1.954 1.300 -6.257 1.00 1.32 H new ATOM 0 HD12 LEU A 12 -0.528 0.670 -5.399 1.00 1.32 H new ATOM 0 HD13 LEU A 12 -2.163 0.257 -4.831 1.00 1.32 H new ATOM 0 HD21 LEU A 12 -3.314 3.128 -5.263 1.00 23.13 H new ATOM 0 HD22 LEU A 12 -3.612 2.204 -3.772 1.00 23.13 H new ATOM 0 HD23 LEU A 12 -2.874 3.821 -3.684 1.00 23.13 H new ATOM 184 N GLU A 13 -1.980 -1.217 -2.953 1.00 32.52 N ATOM 185 CA GLU A 13 -2.573 -2.340 -3.660 1.00 14.11 C ATOM 186 C GLU A 13 -3.807 -2.847 -2.910 1.00 10.01 C ATOM 187 O GLU A 13 -4.832 -3.143 -3.523 1.00 14.54 O ATOM 188 CB GLU A 13 -1.554 -3.463 -3.860 1.00 61.42 C ATOM 189 CG GLU A 13 -1.989 -4.405 -4.985 1.00 54.55 C ATOM 190 CD GLU A 13 -1.621 -5.854 -4.660 1.00 13.43 C ATOM 191 OE1 GLU A 13 -1.730 -6.213 -3.467 1.00 63.43 O ATOM 192 OE2 GLU A 13 -1.241 -6.570 -5.611 1.00 3.33 O ATOM 0 H GLU A 13 -1.076 -1.413 -2.524 1.00 32.52 H new ATOM 0 HA GLU A 13 -2.886 -1.998 -4.647 1.00 14.11 H new ATOM 0 HB2 GLU A 13 -0.579 -3.036 -4.095 1.00 61.42 H new ATOM 0 HB3 GLU A 13 -1.441 -4.026 -2.933 1.00 61.42 H new ATOM 0 HG2 GLU A 13 -3.066 -4.325 -5.136 1.00 54.55 H new ATOM 0 HG3 GLU A 13 -1.513 -4.106 -5.919 1.00 54.55 H new ATOM 199 N LYS A 14 -3.667 -2.933 -1.595 1.00 55.24 N ATOM 200 CA LYS A 14 -4.758 -3.399 -0.755 1.00 34.44 C ATOM 201 C LYS A 14 -5.819 -2.303 -0.650 1.00 52.03 C ATOM 202 O LYS A 14 -6.998 -2.593 -0.449 1.00 22.04 O ATOM 203 CB LYS A 14 -4.226 -3.873 0.599 1.00 12.10 C ATOM 204 CG LYS A 14 -5.063 -5.034 1.142 1.00 63.24 C ATOM 205 CD LYS A 14 -4.246 -5.893 2.108 1.00 21.42 C ATOM 206 CE LYS A 14 -5.083 -6.298 3.323 1.00 55.12 C ATOM 207 NZ LYS A 14 -4.649 -5.549 4.524 1.00 33.12 N ATOM 0 H LYS A 14 -2.815 -2.688 -1.091 1.00 55.24 H new ATOM 0 HA LYS A 14 -5.241 -4.267 -1.203 1.00 34.44 H new ATOM 0 HB2 LYS A 14 -3.187 -4.186 0.496 1.00 12.10 H new ATOM 0 HB3 LYS A 14 -4.241 -3.046 1.309 1.00 12.10 H new ATOM 0 HG2 LYS A 14 -5.944 -4.645 1.652 1.00 63.24 H new ATOM 0 HG3 LYS A 14 -5.419 -5.649 0.315 1.00 63.24 H new ATOM 0 HD2 LYS A 14 -3.889 -6.785 1.594 1.00 21.42 H new ATOM 0 HD3 LYS A 14 -3.366 -5.340 2.436 1.00 21.42 H new ATOM 0 HE2 LYS A 14 -6.137 -6.103 3.127 1.00 55.12 H new ATOM 0 HE3 LYS A 14 -4.984 -7.369 3.500 1.00 55.12 H new ATOM 0 HZ1 LYS A 14 -5.227 -5.836 5.340 1.00 33.12 H new ATOM 0 HZ2 LYS A 14 -3.649 -5.755 4.719 1.00 33.12 H new ATOM 0 HZ3 LYS A 14 -4.766 -4.529 4.358 1.00 33.12 H new ATOM 221 N GLU A 15 -5.364 -1.067 -0.792 1.00 14.12 N ATOM 222 CA GLU A 15 -6.260 0.074 -0.715 1.00 40.13 C ATOM 223 C GLU A 15 -7.201 0.093 -1.922 1.00 24.12 C ATOM 224 O GLU A 15 -8.419 0.138 -1.763 1.00 60.43 O ATOM 225 CB GLU A 15 -5.475 1.383 -0.612 1.00 21.54 C ATOM 226 CG GLU A 15 -4.620 1.410 0.657 1.00 64.12 C ATOM 227 CD GLU A 15 -5.462 1.792 1.876 1.00 3.30 C ATOM 228 OE1 GLU A 15 -6.704 1.710 1.757 1.00 30.45 O ATOM 229 OE2 GLU A 15 -4.845 2.158 2.900 1.00 63.20 O ATOM 0 H GLU A 15 -4.386 -0.831 -0.960 1.00 14.12 H new ATOM 0 HA GLU A 15 -6.861 -0.023 0.189 1.00 40.13 H new ATOM 0 HB2 GLU A 15 -4.836 1.498 -1.488 1.00 21.54 H new ATOM 0 HB3 GLU A 15 -6.166 2.226 -0.608 1.00 21.54 H new ATOM 0 HG2 GLU A 15 -4.167 0.431 0.816 1.00 64.12 H new ATOM 0 HG3 GLU A 15 -3.805 2.123 0.536 1.00 64.12 H new ATOM 236 N ILE A 16 -6.598 0.057 -3.102 1.00 50.40 N ATOM 237 CA ILE A 16 -7.366 0.069 -4.335 1.00 73.02 C ATOM 238 C ILE A 16 -8.286 -1.153 -4.369 1.00 63.14 C ATOM 239 O ILE A 16 -9.327 -1.131 -5.023 1.00 74.32 O ATOM 240 CB ILE A 16 -6.435 0.173 -5.544 1.00 41.14 C ATOM 241 CG1 ILE A 16 -5.598 -1.097 -5.703 1.00 21.34 C ATOM 242 CG2 ILE A 16 -5.563 1.428 -5.459 1.00 54.00 C ATOM 243 CD1 ILE A 16 -4.590 -0.951 -6.845 1.00 4.42 C ATOM 0 H ILE A 16 -5.587 0.020 -3.230 1.00 50.40 H new ATOM 0 HA ILE A 16 -8.006 0.951 -4.378 1.00 73.02 H new ATOM 0 HB ILE A 16 -7.049 0.268 -6.440 1.00 41.14 H new ATOM 0 HG12 ILE A 16 -5.071 -1.308 -4.773 1.00 21.34 H new ATOM 0 HG13 ILE A 16 -6.253 -1.946 -5.898 1.00 21.34 H new ATOM 0 HG21 ILE A 16 -4.911 1.477 -6.331 1.00 54.00 H new ATOM 0 HG22 ILE A 16 -6.200 2.312 -5.432 1.00 54.00 H new ATOM 0 HG23 ILE A 16 -4.957 1.389 -4.554 1.00 54.00 H new ATOM 0 HD11 ILE A 16 -4.008 -1.868 -6.936 1.00 4.42 H new ATOM 0 HD12 ILE A 16 -5.122 -0.764 -7.778 1.00 4.42 H new ATOM 0 HD13 ILE A 16 -3.921 -0.116 -6.635 1.00 4.42 H new ATOM 255 N ALA A 17 -7.867 -2.189 -3.659 1.00 11.25 N ATOM 256 CA ALA A 17 -8.640 -3.418 -3.600 1.00 62.32 C ATOM 257 C ALA A 17 -9.956 -3.153 -2.866 1.00 32.42 C ATOM 258 O ALA A 17 -10.953 -3.832 -3.106 1.00 73.34 O ATOM 259 CB ALA A 17 -7.809 -4.513 -2.929 1.00 63.32 C ATOM 0 H ALA A 17 -7.002 -2.203 -3.119 1.00 11.25 H new ATOM 0 HA ALA A 17 -8.886 -3.765 -4.604 1.00 62.32 H new ATOM 0 HB1 ALA A 17 -8.389 -5.435 -2.885 1.00 63.32 H new ATOM 0 HB2 ALA A 17 -6.900 -4.684 -3.505 1.00 63.32 H new ATOM 0 HB3 ALA A 17 -7.545 -4.202 -1.918 1.00 63.32 H new ATOM 265 N ALA A 18 -9.917 -2.165 -1.984 1.00 44.14 N ATOM 266 CA ALA A 18 -11.093 -1.802 -1.214 1.00 52.43 C ATOM 267 C ALA A 18 -11.881 -0.728 -1.969 1.00 14.23 C ATOM 268 O ALA A 18 -13.104 -0.812 -2.078 1.00 64.30 O ATOM 269 CB ALA A 18 -10.668 -1.339 0.181 1.00 71.30 C ATOM 0 H ALA A 18 -9.088 -1.605 -1.786 1.00 44.14 H new ATOM 0 HA ALA A 18 -11.748 -2.664 -1.086 1.00 52.43 H new ATOM 0 HB1 ALA A 18 -11.551 -1.067 0.759 1.00 71.30 H new ATOM 0 HB2 ALA A 18 -10.138 -2.146 0.687 1.00 71.30 H new ATOM 0 HB3 ALA A 18 -10.011 -0.474 0.093 1.00 71.30 H new ATOM 275 N LEU A 19 -11.148 0.256 -2.469 1.00 0.34 N ATOM 276 CA LEU A 19 -11.763 1.344 -3.210 1.00 31.12 C ATOM 277 C LEU A 19 -12.574 0.770 -4.373 1.00 30.35 C ATOM 278 O LEU A 19 -13.715 1.171 -4.597 1.00 3.23 O ATOM 279 CB LEU A 19 -10.706 2.362 -3.642 1.00 4.24 C ATOM 280 CG LEU A 19 -10.594 2.616 -5.146 1.00 43.05 C ATOM 281 CD1 LEU A 19 -11.863 3.279 -5.686 1.00 31.52 C ATOM 282 CD2 LEU A 19 -9.340 3.429 -5.473 1.00 44.14 C ATOM 0 H LEU A 19 -10.134 0.323 -2.376 1.00 0.34 H new ATOM 0 HA LEU A 19 -12.460 1.891 -2.575 1.00 31.12 H new ATOM 0 HB2 LEU A 19 -10.920 3.310 -3.149 1.00 4.24 H new ATOM 0 HB3 LEU A 19 -9.736 2.025 -3.277 1.00 4.24 H new ATOM 0 HG LEU A 19 -10.494 1.654 -5.648 1.00 43.05 H new ATOM 0 HD11 LEU A 19 -11.757 3.449 -6.758 1.00 31.52 H new ATOM 0 HD12 LEU A 19 -12.719 2.629 -5.504 1.00 31.52 H new ATOM 0 HD13 LEU A 19 -12.018 4.233 -5.181 1.00 31.52 H new ATOM 0 HD21 LEU A 19 -9.285 3.595 -6.549 1.00 44.14 H new ATOM 0 HD22 LEU A 19 -9.385 4.389 -4.959 1.00 44.14 H new ATOM 0 HD23 LEU A 19 -8.456 2.882 -5.144 1.00 44.14 H new ATOM 294 N GLU A 20 -11.953 -0.162 -5.082 1.00 11.50 N ATOM 295 CA GLU A 20 -12.604 -0.796 -6.216 1.00 42.32 C ATOM 296 C GLU A 20 -13.732 -1.712 -5.738 1.00 23.03 C ATOM 297 O GLU A 20 -14.805 -1.747 -6.339 1.00 10.41 O ATOM 298 CB GLU A 20 -11.593 -1.570 -7.066 1.00 41.33 C ATOM 299 CG GLU A 20 -12.228 -2.049 -8.372 1.00 71.42 C ATOM 300 CD GLU A 20 -11.558 -3.332 -8.868 1.00 31.50 C ATOM 301 OE1 GLU A 20 -11.437 -4.265 -8.045 1.00 13.22 O ATOM 302 OE2 GLU A 20 -11.182 -3.351 -10.060 1.00 64.31 O ATOM 0 H GLU A 20 -11.007 -0.493 -4.893 1.00 11.50 H new ATOM 0 HA GLU A 20 -13.037 -0.017 -6.843 1.00 42.32 H new ATOM 0 HB2 GLU A 20 -10.735 -0.934 -7.286 1.00 41.33 H new ATOM 0 HB3 GLU A 20 -11.219 -2.426 -6.504 1.00 41.33 H new ATOM 0 HG2 GLU A 20 -13.293 -2.226 -8.220 1.00 71.42 H new ATOM 0 HG3 GLU A 20 -12.139 -1.271 -9.131 1.00 71.42 H new ATOM 309 N LYS A 21 -13.451 -2.431 -4.661 1.00 2.40 N ATOM 310 CA LYS A 21 -14.429 -3.343 -4.094 1.00 33.45 C ATOM 311 C LYS A 21 -14.843 -2.845 -2.708 1.00 31.21 C ATOM 312 O LYS A 21 -15.710 -1.981 -2.589 1.00 33.04 O ATOM 313 CB LYS A 21 -13.890 -4.776 -4.097 1.00 42.44 C ATOM 314 CG LYS A 21 -15.014 -5.785 -3.856 1.00 23.34 C ATOM 315 CD LYS A 21 -14.473 -7.217 -3.853 1.00 1.22 C ATOM 316 CE LYS A 21 -14.247 -7.714 -2.424 1.00 20.14 C ATOM 317 NZ LYS A 21 -12.809 -7.660 -2.077 1.00 54.23 N ATOM 0 H LYS A 21 -12.560 -2.400 -4.166 1.00 2.40 H new ATOM 0 HA LYS A 21 -15.330 -3.364 -4.707 1.00 33.45 H new ATOM 0 HB2 LYS A 21 -13.408 -4.985 -5.052 1.00 42.44 H new ATOM 0 HB3 LYS A 21 -13.128 -4.883 -3.325 1.00 42.44 H new ATOM 0 HG2 LYS A 21 -15.499 -5.574 -2.903 1.00 23.34 H new ATOM 0 HG3 LYS A 21 -15.774 -5.681 -4.631 1.00 23.34 H new ATOM 0 HD2 LYS A 21 -15.175 -7.876 -4.364 1.00 1.22 H new ATOM 0 HD3 LYS A 21 -13.536 -7.257 -4.408 1.00 1.22 H new ATOM 0 HE2 LYS A 21 -14.819 -7.103 -1.726 1.00 20.14 H new ATOM 0 HE3 LYS A 21 -14.612 -8.736 -2.326 1.00 20.14 H new ATOM 0 HZ1 LYS A 21 -12.674 -8.001 -1.104 1.00 54.23 H new ATOM 0 HZ2 LYS A 21 -12.271 -8.262 -2.733 1.00 54.23 H new ATOM 0 HZ3 LYS A 21 -12.471 -6.679 -2.150 1.00 54.23 H new TER 331 LYS A 21 ATOM 332 N LYS B 1 16.716 5.851 -4.338 1.00 21.23 N ATOM 333 CA LYS B 1 16.889 6.145 -2.925 1.00 53.25 C ATOM 334 C LYS B 1 15.655 5.669 -2.156 1.00 54.32 C ATOM 335 O LYS B 1 14.544 5.686 -2.685 1.00 34.15 O ATOM 336 CB LYS B 1 17.206 7.627 -2.721 1.00 51.24 C ATOM 337 CG LYS B 1 18.332 7.812 -1.702 1.00 62.11 C ATOM 338 CD LYS B 1 18.008 8.945 -0.725 1.00 73.34 C ATOM 339 CE LYS B 1 18.390 8.561 0.706 1.00 61.13 C ATOM 340 NZ LYS B 1 18.557 9.773 1.539 1.00 24.32 N ATOM 0 H1 LYS B 1 17.648 5.766 -4.792 1.00 21.23 H new ATOM 0 H2 LYS B 1 16.196 4.957 -4.445 1.00 21.23 H new ATOM 0 H3 LYS B 1 16.180 6.620 -4.789 1.00 21.23 H new ATOM 0 HA LYS B 1 17.745 5.602 -2.525 1.00 53.25 H new ATOM 0 HB2 LYS B 1 17.494 8.075 -3.672 1.00 51.24 H new ATOM 0 HB3 LYS B 1 16.313 8.150 -2.380 1.00 51.24 H new ATOM 0 HG2 LYS B 1 18.484 6.884 -1.151 1.00 62.11 H new ATOM 0 HG3 LYS B 1 19.265 8.031 -2.221 1.00 62.11 H new ATOM 0 HD2 LYS B 1 18.544 9.848 -1.019 1.00 73.34 H new ATOM 0 HD3 LYS B 1 16.944 9.177 -0.771 1.00 73.34 H new ATOM 0 HE2 LYS B 1 17.620 7.920 1.135 1.00 61.13 H new ATOM 0 HE3 LYS B 1 19.316 7.986 0.700 1.00 61.13 H new ATOM 0 HZ1 LYS B 1 18.816 9.496 2.507 1.00 24.32 H new ATOM 0 HZ2 LYS B 1 19.308 10.370 1.137 1.00 24.32 H new ATOM 0 HZ3 LYS B 1 17.664 10.306 1.559 1.00 24.32 H new ATOM 354 N ILE B 2 15.890 5.257 -0.919 1.00 21.31 N ATOM 355 CA ILE B 2 14.812 4.778 -0.071 1.00 72.43 C ATOM 356 C ILE B 2 13.785 5.895 0.121 1.00 74.12 C ATOM 357 O ILE B 2 12.580 5.659 0.030 1.00 0.11 O ATOM 358 CB ILE B 2 15.367 4.222 1.241 1.00 64.32 C ATOM 359 CG1 ILE B 2 16.393 3.117 0.977 1.00 34.41 C ATOM 360 CG2 ILE B 2 14.239 3.749 2.159 1.00 42.04 C ATOM 361 CD1 ILE B 2 17.675 3.355 1.777 1.00 34.11 C ATOM 0 H ILE B 2 16.812 5.245 -0.483 1.00 21.31 H new ATOM 0 HA ILE B 2 14.294 3.946 -0.549 1.00 72.43 H new ATOM 0 HB ILE B 2 15.886 5.028 1.760 1.00 64.32 H new ATOM 0 HG12 ILE B 2 15.968 2.150 1.245 1.00 34.41 H new ATOM 0 HG13 ILE B 2 16.626 3.079 -0.087 1.00 34.41 H new ATOM 0 HG21 ILE B 2 14.663 3.359 3.084 1.00 42.04 H new ATOM 0 HG22 ILE B 2 13.580 4.587 2.387 1.00 42.04 H new ATOM 0 HG23 ILE B 2 13.670 2.964 1.661 1.00 42.04 H new ATOM 0 HD11 ILE B 2 18.386 2.555 1.571 1.00 34.11 H new ATOM 0 HD12 ILE B 2 18.111 4.312 1.489 1.00 34.11 H new ATOM 0 HD13 ILE B 2 17.442 3.368 2.842 1.00 34.11 H new ATOM 373 N ALA B 3 14.297 7.088 0.382 1.00 64.05 N ATOM 374 CA ALA B 3 13.440 8.243 0.587 1.00 54.43 C ATOM 375 C ALA B 3 12.717 8.576 -0.721 1.00 1.32 C ATOM 376 O ALA B 3 11.595 9.079 -0.704 1.00 5.32 O ATOM 377 CB ALA B 3 14.275 9.415 1.105 1.00 25.00 C ATOM 0 H ALA B 3 15.296 7.280 0.456 1.00 64.05 H new ATOM 0 HA ALA B 3 12.681 8.027 1.338 1.00 54.43 H new ATOM 0 HB1 ALA B 3 13.631 10.281 1.258 1.00 25.00 H new ATOM 0 HB2 ALA B 3 14.743 9.139 2.050 1.00 25.00 H new ATOM 0 HB3 ALA B 3 15.047 9.662 0.376 1.00 25.00 H new ATOM 383 N ALA B 4 13.391 8.282 -1.823 1.00 32.52 N ATOM 384 CA ALA B 4 12.828 8.543 -3.136 1.00 70.12 C ATOM 385 C ALA B 4 11.561 7.705 -3.319 1.00 64.23 C ATOM 386 O ALA B 4 10.523 8.224 -3.727 1.00 23.51 O ATOM 387 CB ALA B 4 13.879 8.253 -4.210 1.00 42.41 C ATOM 0 H ALA B 4 14.322 7.865 -1.833 1.00 32.52 H new ATOM 0 HA ALA B 4 12.546 9.592 -3.231 1.00 70.12 H new ATOM 0 HB1 ALA B 4 13.456 8.449 -5.195 1.00 42.41 H new ATOM 0 HB2 ALA B 4 14.746 8.895 -4.053 1.00 42.41 H new ATOM 0 HB3 ALA B 4 14.184 7.209 -4.148 1.00 42.41 H new ATOM 393 N LEU B 5 11.688 6.424 -3.009 1.00 22.44 N ATOM 394 CA LEU B 5 10.566 5.508 -3.134 1.00 33.01 C ATOM 395 C LEU B 5 9.503 5.865 -2.092 1.00 24.41 C ATOM 396 O LEU B 5 8.310 5.697 -2.336 1.00 11.45 O ATOM 397 CB LEU B 5 11.046 4.058 -3.051 1.00 30.53 C ATOM 398 CG LEU B 5 12.279 3.710 -3.887 1.00 70.10 C ATOM 399 CD1 LEU B 5 13.250 2.834 -3.094 1.00 1.23 C ATOM 400 CD2 LEU B 5 11.877 3.064 -5.215 1.00 2.51 C ATOM 0 H LEU B 5 12.551 5.998 -2.671 1.00 22.44 H new ATOM 0 HA LEU B 5 10.099 5.609 -4.114 1.00 33.01 H new ATOM 0 HB2 LEU B 5 11.262 3.827 -2.008 1.00 30.53 H new ATOM 0 HB3 LEU B 5 10.228 3.407 -3.359 1.00 30.53 H new ATOM 0 HG LEU B 5 12.802 4.636 -4.125 1.00 70.10 H new ATOM 0 HD11 LEU B 5 14.118 2.601 -3.712 1.00 1.23 H new ATOM 0 HD12 LEU B 5 13.574 3.367 -2.200 1.00 1.23 H new ATOM 0 HD13 LEU B 5 12.752 1.909 -2.805 1.00 1.23 H new ATOM 0 HD21 LEU B 5 12.772 2.827 -5.790 1.00 2.51 H new ATOM 0 HD22 LEU B 5 11.318 2.149 -5.020 1.00 2.51 H new ATOM 0 HD23 LEU B 5 11.254 3.756 -5.782 1.00 2.51 H new ATOM 412 N LYS B 6 9.976 6.352 -0.954 1.00 65.24 N ATOM 413 CA LYS B 6 9.083 6.734 0.125 1.00 13.45 C ATOM 414 C LYS B 6 8.134 7.829 -0.367 1.00 22.54 C ATOM 415 O LYS B 6 6.926 7.755 -0.144 1.00 60.54 O ATOM 416 CB LYS B 6 9.882 7.128 1.370 1.00 33.52 C ATOM 417 CG LYS B 6 8.951 7.473 2.533 1.00 14.30 C ATOM 418 CD LYS B 6 8.812 8.989 2.692 1.00 35.24 C ATOM 419 CE LYS B 6 8.420 9.356 4.125 1.00 21.55 C ATOM 420 NZ LYS B 6 9.309 10.418 4.648 1.00 14.51 N ATOM 0 H LYS B 6 10.967 6.491 -0.756 1.00 65.24 H new ATOM 0 HA LYS B 6 8.466 5.887 0.425 1.00 13.45 H new ATOM 0 HB2 LYS B 6 10.541 6.309 1.658 1.00 33.52 H new ATOM 0 HB3 LYS B 6 10.518 7.984 1.143 1.00 33.52 H new ATOM 0 HG2 LYS B 6 7.970 7.030 2.362 1.00 14.30 H new ATOM 0 HG3 LYS B 6 9.339 7.041 3.455 1.00 14.30 H new ATOM 0 HD2 LYS B 6 9.754 9.473 2.433 1.00 35.24 H new ATOM 0 HD3 LYS B 6 8.060 9.364 1.998 1.00 35.24 H new ATOM 0 HE2 LYS B 6 7.384 9.695 4.150 1.00 21.55 H new ATOM 0 HE3 LYS B 6 8.482 8.474 4.763 1.00 21.55 H new ATOM 0 HZ1 LYS B 6 9.030 10.656 5.621 1.00 14.51 H new ATOM 0 HZ2 LYS B 6 10.293 10.081 4.642 1.00 14.51 H new ATOM 0 HZ3 LYS B 6 9.229 11.264 4.048 1.00 14.51 H new ATOM 434 N GLU B 7 8.716 8.819 -1.027 1.00 63.03 N ATOM 435 CA GLU B 7 7.938 9.928 -1.553 1.00 74.33 C ATOM 436 C GLU B 7 7.074 9.460 -2.727 1.00 1.02 C ATOM 437 O GLU B 7 5.887 9.776 -2.793 1.00 43.41 O ATOM 438 CB GLU B 7 8.846 11.087 -1.968 1.00 63.40 C ATOM 439 CG GLU B 7 8.212 12.434 -1.615 1.00 31.31 C ATOM 440 CD GLU B 7 8.536 13.487 -2.677 1.00 73.12 C ATOM 441 OE1 GLU B 7 8.339 13.171 -3.870 1.00 35.23 O ATOM 442 OE2 GLU B 7 8.973 14.586 -2.271 1.00 13.24 O ATOM 0 H GLU B 7 9.718 8.877 -1.210 1.00 63.03 H new ATOM 0 HA GLU B 7 7.279 10.291 -0.764 1.00 74.33 H new ATOM 0 HB2 GLU B 7 9.811 10.994 -1.470 1.00 63.40 H new ATOM 0 HB3 GLU B 7 9.035 11.040 -3.041 1.00 63.40 H new ATOM 0 HG2 GLU B 7 7.131 12.320 -1.528 1.00 31.31 H new ATOM 0 HG3 GLU B 7 8.576 12.768 -0.643 1.00 31.31 H new ATOM 449 N LYS B 8 7.704 8.715 -3.623 1.00 60.13 N ATOM 450 CA LYS B 8 7.007 8.201 -4.791 1.00 3.24 C ATOM 451 C LYS B 8 5.721 7.503 -4.345 1.00 24.12 C ATOM 452 O LYS B 8 4.638 7.821 -4.833 1.00 33.55 O ATOM 453 CB LYS B 8 7.935 7.311 -5.619 1.00 22.54 C ATOM 454 CG LYS B 8 8.040 7.816 -7.059 1.00 43.41 C ATOM 455 CD LYS B 8 9.147 7.083 -7.819 1.00 2.00 C ATOM 456 CE LYS B 8 10.507 7.741 -7.576 1.00 25.04 C ATOM 457 NZ LYS B 8 11.247 7.888 -8.849 1.00 4.02 N ATOM 0 H LYS B 8 8.689 8.455 -3.564 1.00 60.13 H new ATOM 0 HA LYS B 8 6.714 9.018 -5.451 1.00 3.24 H new ATOM 0 HB2 LYS B 8 8.925 7.290 -5.164 1.00 22.54 H new ATOM 0 HB3 LYS B 8 7.561 6.287 -5.616 1.00 22.54 H new ATOM 0 HG2 LYS B 8 7.087 7.672 -7.569 1.00 43.41 H new ATOM 0 HG3 LYS B 8 8.242 8.887 -7.058 1.00 43.41 H new ATOM 0 HD2 LYS B 8 9.182 6.041 -7.502 1.00 2.00 H new ATOM 0 HD3 LYS B 8 8.923 7.085 -8.886 1.00 2.00 H new ATOM 0 HE2 LYS B 8 10.367 8.719 -7.115 1.00 25.04 H new ATOM 0 HE3 LYS B 8 11.089 7.140 -6.878 1.00 25.04 H new ATOM 0 HZ1 LYS B 8 12.167 8.336 -8.666 1.00 4.02 H new ATOM 0 HZ2 LYS B 8 11.397 6.951 -9.274 1.00 4.02 H new ATOM 0 HZ3 LYS B 8 10.698 8.481 -9.503 1.00 4.02 H new ATOM 471 N ILE B 9 5.883 6.565 -3.424 1.00 51.51 N ATOM 472 CA ILE B 9 4.748 5.819 -2.908 1.00 11.55 C ATOM 473 C ILE B 9 3.786 6.782 -2.209 1.00 2.04 C ATOM 474 O ILE B 9 2.574 6.577 -2.227 1.00 60.42 O ATOM 475 CB ILE B 9 5.222 4.669 -2.017 1.00 5.34 C ATOM 476 CG1 ILE B 9 4.138 3.599 -1.878 1.00 1.44 C ATOM 477 CG2 ILE B 9 5.694 5.188 -0.656 1.00 2.01 C ATOM 478 CD1 ILE B 9 2.957 4.120 -1.056 1.00 31.04 C ATOM 0 H ILE B 9 6.783 6.304 -3.022 1.00 51.51 H new ATOM 0 HA ILE B 9 4.196 5.352 -3.724 1.00 11.55 H new ATOM 0 HB ILE B 9 6.079 4.197 -2.497 1.00 5.34 H new ATOM 0 HG12 ILE B 9 3.792 3.296 -2.866 1.00 1.44 H new ATOM 0 HG13 ILE B 9 4.556 2.713 -1.400 1.00 1.44 H new ATOM 0 HG21 ILE B 9 6.026 4.350 -0.042 1.00 2.01 H new ATOM 0 HG22 ILE B 9 6.521 5.883 -0.799 1.00 2.01 H new ATOM 0 HG23 ILE B 9 4.872 5.700 -0.157 1.00 2.01 H new ATOM 0 HD11 ILE B 9 2.200 3.340 -0.972 1.00 31.04 H new ATOM 0 HD12 ILE B 9 3.302 4.400 -0.061 1.00 31.04 H new ATOM 0 HD13 ILE B 9 2.527 4.992 -1.549 1.00 31.04 H new ATOM 490 N ALA B 10 4.364 7.813 -1.608 1.00 74.31 N ATOM 491 CA ALA B 10 3.573 8.808 -0.904 1.00 71.54 C ATOM 492 C ALA B 10 2.517 9.379 -1.853 1.00 43.12 C ATOM 493 O ALA B 10 1.490 9.890 -1.410 1.00 2.51 O ATOM 494 CB ALA B 10 4.497 9.889 -0.341 1.00 1.21 C ATOM 0 H ALA B 10 5.370 7.980 -1.594 1.00 74.31 H new ATOM 0 HA ALA B 10 3.049 8.356 -0.062 1.00 71.54 H new ATOM 0 HB1 ALA B 10 3.904 10.636 0.187 1.00 1.21 H new ATOM 0 HB2 ALA B 10 5.209 9.436 0.349 1.00 1.21 H new ATOM 0 HB3 ALA B 10 5.038 10.367 -1.158 1.00 1.21 H new ATOM 500 N ALA B 11 2.807 9.273 -3.142 1.00 21.13 N ATOM 501 CA ALA B 11 1.896 9.772 -4.157 1.00 40.25 C ATOM 502 C ALA B 11 0.568 9.020 -4.059 1.00 74.23 C ATOM 503 O ALA B 11 -0.499 9.612 -4.220 1.00 72.31 O ATOM 504 CB ALA B 11 2.544 9.634 -5.536 1.00 75.24 C ATOM 0 H ALA B 11 3.660 8.849 -3.506 1.00 21.13 H new ATOM 0 HA ALA B 11 1.687 10.830 -3.999 1.00 40.25 H new ATOM 0 HB1 ALA B 11 1.861 10.008 -6.298 1.00 75.24 H new ATOM 0 HB2 ALA B 11 3.469 10.211 -5.563 1.00 75.24 H new ATOM 0 HB3 ALA B 11 2.765 8.585 -5.731 1.00 75.24 H new ATOM 510 N LEU B 12 0.675 7.726 -3.795 1.00 55.41 N ATOM 511 CA LEU B 12 -0.505 6.887 -3.673 1.00 31.11 C ATOM 512 C LEU B 12 -1.148 7.114 -2.303 1.00 44.05 C ATOM 513 O LEU B 12 -2.370 7.073 -2.173 1.00 74.44 O ATOM 514 CB LEU B 12 -0.153 5.424 -3.952 1.00 74.23 C ATOM 515 CG LEU B 12 0.833 5.177 -5.096 1.00 1.52 C ATOM 516 CD1 LEU B 12 1.773 4.016 -4.769 1.00 12.42 C ATOM 517 CD2 LEU B 12 0.095 4.963 -6.419 1.00 34.22 C ATOM 0 H LEU B 12 1.561 7.238 -3.662 1.00 55.41 H new ATOM 0 HA LEU B 12 -1.247 7.162 -4.423 1.00 31.11 H new ATOM 0 HB2 LEU B 12 0.262 4.991 -3.042 1.00 74.23 H new ATOM 0 HB3 LEU B 12 -1.075 4.885 -4.170 1.00 74.23 H new ATOM 0 HG LEU B 12 1.451 6.067 -5.213 1.00 1.52 H new ATOM 0 HD11 LEU B 12 2.463 3.862 -5.599 1.00 12.42 H new ATOM 0 HD12 LEU B 12 2.337 4.248 -3.866 1.00 12.42 H new ATOM 0 HD13 LEU B 12 1.189 3.109 -4.609 1.00 12.42 H new ATOM 0 HD21 LEU B 12 0.819 4.790 -7.215 1.00 34.22 H new ATOM 0 HD22 LEU B 12 -0.564 4.099 -6.333 1.00 34.22 H new ATOM 0 HD23 LEU B 12 -0.497 5.848 -6.653 1.00 34.22 H new ATOM 529 N LYS B 13 -0.296 7.349 -1.317 1.00 1.41 N ATOM 530 CA LYS B 13 -0.766 7.583 0.038 1.00 1.23 C ATOM 531 C LYS B 13 -1.855 8.658 0.017 1.00 20.44 C ATOM 532 O LYS B 13 -2.798 8.606 0.805 1.00 72.51 O ATOM 533 CB LYS B 13 0.408 7.915 0.962 1.00 22.10 C ATOM 534 CG LYS B 13 -0.076 8.175 2.390 1.00 41.40 C ATOM 535 CD LYS B 13 0.427 7.091 3.346 1.00 65.22 C ATOM 536 CE LYS B 13 -0.687 6.630 4.287 1.00 3.14 C ATOM 537 NZ LYS B 13 -0.196 6.575 5.683 1.00 74.41 N ATOM 0 H LYS B 13 0.717 7.383 -1.429 1.00 1.41 H new ATOM 0 HA LYS B 13 -1.218 6.679 0.446 1.00 1.23 H new ATOM 0 HB2 LYS B 13 1.121 7.091 0.960 1.00 22.10 H new ATOM 0 HB3 LYS B 13 0.934 8.793 0.587 1.00 22.10 H new ATOM 0 HG2 LYS B 13 0.275 9.151 2.725 1.00 41.40 H new ATOM 0 HG3 LYS B 13 -1.165 8.204 2.409 1.00 41.40 H new ATOM 0 HD2 LYS B 13 0.800 6.241 2.774 1.00 65.22 H new ATOM 0 HD3 LYS B 13 1.264 7.475 3.929 1.00 65.22 H new ATOM 0 HE2 LYS B 13 -1.534 7.313 4.220 1.00 3.14 H new ATOM 0 HE3 LYS B 13 -1.045 5.647 3.982 1.00 3.14 H new ATOM 0 HZ1 LYS B 13 -0.964 6.260 6.309 1.00 74.41 H new ATOM 0 HZ2 LYS B 13 0.598 5.906 5.746 1.00 74.41 H new ATOM 0 HZ3 LYS B 13 0.124 7.520 5.976 1.00 74.41 H new ATOM 551 N GLU B 14 -1.688 9.606 -0.892 1.00 31.41 N ATOM 552 CA GLU B 14 -2.646 10.691 -1.026 1.00 61.42 C ATOM 553 C GLU B 14 -3.851 10.236 -1.853 1.00 44.51 C ATOM 554 O GLU B 14 -4.954 10.753 -1.684 1.00 1.11 O ATOM 555 CB GLU B 14 -1.991 11.927 -1.646 1.00 70.51 C ATOM 556 CG GLU B 14 -1.839 13.044 -0.611 1.00 65.42 C ATOM 557 CD GLU B 14 -0.836 12.652 0.476 1.00 70.24 C ATOM 558 OE1 GLU B 14 0.351 12.485 0.119 1.00 31.31 O ATOM 559 OE2 GLU B 14 -1.278 12.528 1.638 1.00 42.12 O ATOM 0 H GLU B 14 -0.904 9.646 -1.543 1.00 31.41 H new ATOM 0 HA GLU B 14 -2.996 10.966 -0.031 1.00 61.42 H new ATOM 0 HB2 GLU B 14 -1.013 11.662 -2.047 1.00 70.51 H new ATOM 0 HB3 GLU B 14 -2.593 12.281 -2.483 1.00 70.51 H new ATOM 0 HG2 GLU B 14 -1.508 13.958 -1.104 1.00 65.42 H new ATOM 0 HG3 GLU B 14 -2.807 13.259 -0.158 1.00 65.42 H new ATOM 566 N LYS B 15 -3.598 9.275 -2.728 1.00 34.11 N ATOM 567 CA LYS B 15 -4.649 8.745 -3.581 1.00 75.54 C ATOM 568 C LYS B 15 -5.660 7.982 -2.723 1.00 42.42 C ATOM 569 O LYS B 15 -6.868 8.142 -2.891 1.00 52.24 O ATOM 570 CB LYS B 15 -4.049 7.910 -4.714 1.00 54.11 C ATOM 571 CG LYS B 15 -4.918 7.986 -5.971 1.00 11.01 C ATOM 572 CD LYS B 15 -4.412 7.023 -7.047 1.00 1.13 C ATOM 573 CE LYS B 15 -5.560 6.543 -7.937 1.00 11.24 C ATOM 574 NZ LYS B 15 -5.067 6.232 -9.297 1.00 2.51 N ATOM 0 H LYS B 15 -2.681 8.849 -2.865 1.00 34.11 H new ATOM 0 HA LYS B 15 -5.191 9.556 -4.067 1.00 75.54 H new ATOM 0 HB2 LYS B 15 -3.044 8.266 -4.940 1.00 54.11 H new ATOM 0 HB3 LYS B 15 -3.955 6.872 -4.395 1.00 54.11 H new ATOM 0 HG2 LYS B 15 -5.951 7.745 -5.719 1.00 11.01 H new ATOM 0 HG3 LYS B 15 -4.914 9.005 -6.359 1.00 11.01 H new ATOM 0 HD2 LYS B 15 -3.657 7.518 -7.657 1.00 1.13 H new ATOM 0 HD3 LYS B 15 -3.930 6.166 -6.576 1.00 1.13 H new ATOM 0 HE2 LYS B 15 -6.021 5.657 -7.500 1.00 11.24 H new ATOM 0 HE3 LYS B 15 -6.332 7.311 -7.990 1.00 11.24 H new ATOM 0 HZ1 LYS B 15 -5.859 5.908 -9.888 1.00 2.51 H new ATOM 0 HZ2 LYS B 15 -4.648 7.086 -9.718 1.00 2.51 H new ATOM 0 HZ3 LYS B 15 -4.347 5.484 -9.243 1.00 2.51 H new ATOM 588 N ILE B 16 -5.129 7.168 -1.822 1.00 63.25 N ATOM 589 CA ILE B 16 -5.970 6.379 -0.938 1.00 51.14 C ATOM 590 C ILE B 16 -6.634 7.303 0.085 1.00 51.34 C ATOM 591 O ILE B 16 -7.748 7.040 0.533 1.00 53.23 O ATOM 592 CB ILE B 16 -5.166 5.241 -0.309 1.00 31.44 C ATOM 593 CG1 ILE B 16 -4.107 5.784 0.653 1.00 42.22 C ATOM 594 CG2 ILE B 16 -4.556 4.339 -1.384 1.00 51.54 C ATOM 595 CD1 ILE B 16 -3.800 4.772 1.759 1.00 22.51 C ATOM 0 H ILE B 16 -4.127 7.038 -1.685 1.00 63.25 H new ATOM 0 HA ILE B 16 -6.770 5.899 -1.501 1.00 51.14 H new ATOM 0 HB ILE B 16 -5.848 4.625 0.277 1.00 31.44 H new ATOM 0 HG12 ILE B 16 -3.195 6.015 0.103 1.00 42.22 H new ATOM 0 HG13 ILE B 16 -4.457 6.717 1.096 1.00 42.22 H new ATOM 0 HG21 ILE B 16 -3.990 3.538 -0.909 1.00 51.54 H new ATOM 0 HG22 ILE B 16 -5.352 3.909 -1.993 1.00 51.54 H new ATOM 0 HG23 ILE B 16 -3.892 4.926 -2.018 1.00 51.54 H new ATOM 0 HD11 ILE B 16 -3.044 5.183 2.429 1.00 22.51 H new ATOM 0 HD12 ILE B 16 -4.709 4.562 2.323 1.00 22.51 H new ATOM 0 HD13 ILE B 16 -3.428 3.849 1.315 1.00 22.51 H new ATOM 607 N ALA B 17 -5.920 8.367 0.425 1.00 62.45 N ATOM 608 CA ALA B 17 -6.426 9.331 1.387 1.00 24.33 C ATOM 609 C ALA B 17 -7.843 9.746 0.990 1.00 34.01 C ATOM 610 O ALA B 17 -8.654 10.097 1.846 1.00 20.01 O ATOM 611 CB ALA B 17 -5.469 10.523 1.465 1.00 33.02 C ATOM 0 H ALA B 17 -4.996 8.582 0.051 1.00 62.45 H new ATOM 0 HA ALA B 17 -6.479 8.889 2.382 1.00 24.33 H new ATOM 0 HB1 ALA B 17 -5.848 11.247 2.186 1.00 33.02 H new ATOM 0 HB2 ALA B 17 -4.484 10.179 1.779 1.00 33.02 H new ATOM 0 HB3 ALA B 17 -5.393 10.993 0.485 1.00 33.02 H new ATOM 617 N ALA B 18 -8.100 9.692 -0.309 1.00 2.25 N ATOM 618 CA ALA B 18 -9.406 10.057 -0.830 1.00 3.20 C ATOM 619 C ALA B 18 -10.437 9.017 -0.385 1.00 41.14 C ATOM 620 O ALA B 18 -11.506 9.370 0.110 1.00 3.54 O ATOM 621 CB ALA B 18 -9.330 10.190 -2.352 1.00 63.21 C ATOM 0 H ALA B 18 -7.425 9.401 -1.016 1.00 2.25 H new ATOM 0 HA ALA B 18 -9.721 11.023 -0.434 1.00 3.20 H new ATOM 0 HB1 ALA B 18 -10.310 10.464 -2.743 1.00 63.21 H new ATOM 0 HB2 ALA B 18 -8.606 10.962 -2.614 1.00 63.21 H new ATOM 0 HB3 ALA B 18 -9.019 9.239 -2.785 1.00 63.21 H new ATOM 627 N LEU B 19 -10.080 7.756 -0.581 1.00 5.43 N ATOM 628 CA LEU B 19 -10.960 6.664 -0.206 1.00 35.43 C ATOM 629 C LEU B 19 -11.234 6.725 1.298 1.00 5.22 C ATOM 630 O LEU B 19 -12.335 6.411 1.746 1.00 3.14 O ATOM 631 CB LEU B 19 -10.380 5.326 -0.671 1.00 14.12 C ATOM 632 CG LEU B 19 -10.635 4.129 0.247 1.00 14.22 C ATOM 633 CD1 LEU B 19 -12.111 3.724 0.224 1.00 65.43 C ATOM 634 CD2 LEU B 19 -9.715 2.959 -0.107 1.00 62.22 C ATOM 0 H LEU B 19 -9.193 7.467 -0.995 1.00 5.43 H new ATOM 0 HA LEU B 19 -11.922 6.762 -0.709 1.00 35.43 H new ATOM 0 HB2 LEU B 19 -10.789 5.098 -1.655 1.00 14.12 H new ATOM 0 HB3 LEU B 19 -9.303 5.442 -0.793 1.00 14.12 H new ATOM 0 HG LEU B 19 -10.398 4.427 1.268 1.00 14.22 H new ATOM 0 HD11 LEU B 19 -12.265 2.871 0.885 1.00 65.43 H new ATOM 0 HD12 LEU B 19 -12.723 4.560 0.562 1.00 65.43 H new ATOM 0 HD13 LEU B 19 -12.398 3.452 -0.792 1.00 65.43 H new ATOM 0 HD21 LEU B 19 -9.918 2.122 0.561 1.00 62.22 H new ATOM 0 HD22 LEU B 19 -9.896 2.653 -1.137 1.00 62.22 H new ATOM 0 HD23 LEU B 19 -8.675 3.267 0.003 1.00 62.22 H new ATOM 646 N LYS B 20 -10.211 7.133 2.036 1.00 54.23 N ATOM 647 CA LYS B 20 -10.328 7.241 3.480 1.00 12.01 C ATOM 648 C LYS B 20 -11.565 8.071 3.828 1.00 63.10 C ATOM 649 O LYS B 20 -12.395 7.649 4.630 1.00 33.40 O ATOM 650 CB LYS B 20 -9.032 7.788 4.083 1.00 32.44 C ATOM 651 CG LYS B 20 -8.957 7.493 5.582 1.00 4.20 C ATOM 652 CD LYS B 20 -8.943 8.788 6.396 1.00 42.43 C ATOM 653 CE LYS B 20 -7.940 8.702 7.549 1.00 71.35 C ATOM 654 NZ LYS B 20 -8.584 9.084 8.825 1.00 2.03 N ATOM 0 H LYS B 20 -9.299 7.392 1.661 1.00 54.23 H new ATOM 0 HA LYS B 20 -10.470 6.256 3.924 1.00 12.01 H new ATOM 0 HB2 LYS B 20 -8.175 7.342 3.578 1.00 32.44 H new ATOM 0 HB3 LYS B 20 -8.975 8.864 3.917 1.00 32.44 H new ATOM 0 HG2 LYS B 20 -9.809 6.882 5.879 1.00 4.20 H new ATOM 0 HG3 LYS B 20 -8.059 6.914 5.798 1.00 4.20 H new ATOM 0 HD2 LYS B 20 -8.686 9.626 5.748 1.00 42.43 H new ATOM 0 HD3 LYS B 20 -9.940 8.984 6.791 1.00 42.43 H new ATOM 0 HE2 LYS B 20 -7.547 7.688 7.622 1.00 71.35 H new ATOM 0 HE3 LYS B 20 -7.093 9.359 7.352 1.00 71.35 H new ATOM 0 HZ1 LYS B 20 -7.890 9.020 9.597 1.00 2.03 H new ATOM 0 HZ2 LYS B 20 -8.938 10.060 8.757 1.00 2.03 H new ATOM 0 HZ3 LYS B 20 -9.378 8.441 9.019 1.00 2.03 H new ATOM 668 N GLU B 21 -11.649 9.238 3.206 1.00 4.13 N ATOM 669 CA GLU B 21 -12.771 10.132 3.439 1.00 13.30 C ATOM 670 C GLU B 21 -14.071 9.487 2.955 1.00 13.40 C ATOM 671 O GLU B 21 -14.168 9.062 1.805 1.00 41.44 O ATOM 672 CB GLU B 21 -12.544 11.485 2.762 1.00 34.44 C ATOM 673 CG GLU B 21 -11.510 12.313 3.526 1.00 2.40 C ATOM 674 CD GLU B 21 -10.090 11.979 3.065 1.00 61.23 C ATOM 675 OE1 GLU B 21 -9.818 12.197 1.864 1.00 5.05 O ATOM 676 OE2 GLU B 21 -9.309 11.514 3.923 1.00 73.32 O ATOM 0 H GLU B 21 -10.958 9.585 2.541 1.00 4.13 H new ATOM 0 HA GLU B 21 -12.853 10.310 4.511 1.00 13.30 H new ATOM 0 HB2 GLU B 21 -12.206 11.331 1.737 1.00 34.44 H new ATOM 0 HB3 GLU B 21 -13.486 12.032 2.709 1.00 34.44 H new ATOM 0 HG2 GLU B 21 -11.705 13.375 3.374 1.00 2.40 H new ATOM 0 HG3 GLU B 21 -11.604 12.121 4.595 1.00 2.40 H new TER 683 GLU B 21