USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 308 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00819) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= -0.0994 (180deg=-2.56!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.158 0.345 0.093 1.00 13.00 N ATOM 2 CA GLY A 26 2.329 0.138 -1.372 1.00 45.03 C ATOM 3 C GLY A 26 2.818 -1.258 -1.705 1.00 13.11 C ATOM 4 O GLY A 26 3.785 -1.742 -1.118 1.00 74.15 O ATOM 0 HA2 GLY A 26 1.379 0.317 -1.875 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.037 0.870 -1.759 1.00 45.03 H new ATOM 10 N GLY A 27 2.148 -1.907 -2.651 1.00 55.02 N ATOM 11 CA GLY A 27 2.533 -3.250 -3.045 1.00 53.42 C ATOM 12 C GLY A 27 3.616 -3.258 -4.107 1.00 65.54 C ATOM 13 O GLY A 27 4.329 -4.250 -4.263 1.00 71.41 O ATOM 0 H GLY A 27 1.345 -1.527 -3.152 1.00 55.02 H new ATOM 0 HA2 GLY A 27 2.884 -3.795 -2.169 1.00 53.42 H new ATOM 0 HA3 GLY A 27 1.657 -3.780 -3.420 1.00 53.42 H new ATOM 17 N LEU A 28 3.742 -2.154 -4.839 1.00 42.52 N ATOM 18 CA LEU A 28 4.750 -2.043 -5.892 1.00 34.34 C ATOM 19 C LEU A 28 6.110 -2.507 -5.388 1.00 55.24 C ATOM 20 O LEU A 28 6.679 -3.474 -5.896 1.00 11.23 O ATOM 21 CB LEU A 28 4.850 -0.596 -6.380 1.00 44.41 C ATOM 22 CG LEU A 28 5.947 -0.327 -7.418 1.00 63.52 C ATOM 23 CD1 LEU A 28 7.271 -0.036 -6.729 1.00 14.35 C ATOM 24 CD2 LEU A 28 6.090 -1.505 -8.372 1.00 13.50 C ATOM 0 H LEU A 28 3.160 -1.324 -4.723 1.00 42.52 H new ATOM 0 HA LEU A 28 4.446 -2.682 -6.721 1.00 34.34 H new ATOM 0 HB2 LEU A 28 3.890 -0.307 -6.808 1.00 44.41 H new ATOM 0 HB3 LEU A 28 5.022 0.049 -5.519 1.00 44.41 H new ATOM 0 HG LEU A 28 5.659 0.549 -8.000 1.00 63.52 H new ATOM 0 HD11 LEU A 28 8.038 0.153 -7.480 1.00 14.35 H new ATOM 0 HD12 LEU A 28 7.164 0.841 -6.091 1.00 14.35 H new ATOM 0 HD13 LEU A 28 7.561 -0.893 -6.121 1.00 14.35 H new ATOM 0 HD21 LEU A 28 6.874 -1.291 -9.099 1.00 13.50 H new ATOM 0 HD22 LEU A 28 6.352 -2.400 -7.808 1.00 13.50 H new ATOM 0 HD23 LEU A 28 5.146 -1.668 -8.893 1.00 13.50 H new ATOM 36 N LYS A 29 6.616 -1.817 -4.375 1.00 31.50 N ATOM 37 CA LYS A 29 7.901 -2.163 -3.784 1.00 34.00 C ATOM 38 C LYS A 29 7.858 -3.574 -3.205 1.00 33.44 C ATOM 39 O LYS A 29 8.890 -4.229 -3.056 1.00 71.50 O ATOM 40 CB LYS A 29 8.273 -1.157 -2.691 1.00 71.12 C ATOM 41 CG LYS A 29 9.739 -0.753 -2.710 1.00 22.40 C ATOM 42 CD LYS A 29 10.022 0.361 -1.715 1.00 41.35 C ATOM 43 CE LYS A 29 11.478 0.793 -1.763 1.00 25.32 C ATOM 44 NZ LYS A 29 11.698 1.901 -2.733 1.00 4.52 N ATOM 0 H LYS A 29 6.156 -1.014 -3.945 1.00 31.50 H new ATOM 0 HA LYS A 29 8.660 -2.129 -4.565 1.00 34.00 H new ATOM 0 HB2 LYS A 29 7.657 -0.265 -2.805 1.00 71.12 H new ATOM 0 HB3 LYS A 29 8.035 -1.586 -1.718 1.00 71.12 H new ATOM 0 HG2 LYS A 29 10.359 -1.618 -2.475 1.00 22.40 H new ATOM 0 HG3 LYS A 29 10.015 -0.426 -3.713 1.00 22.40 H new ATOM 0 HD2 LYS A 29 9.380 1.215 -1.931 1.00 41.35 H new ATOM 0 HD3 LYS A 29 9.774 0.023 -0.709 1.00 41.35 H new ATOM 0 HE2 LYS A 29 11.795 1.112 -0.770 1.00 25.32 H new ATOM 0 HE3 LYS A 29 12.100 -0.059 -2.038 1.00 25.32 H new ATOM 0 HZ1 LYS A 29 12.704 2.166 -2.735 1.00 4.52 H new ATOM 0 HZ2 LYS A 29 11.420 1.589 -3.685 1.00 4.52 H new ATOM 0 HZ3 LYS A 29 11.124 2.723 -2.457 1.00 4.52 H new ATOM 58 N LYS A 30 6.653 -4.035 -2.882 1.00 61.04 N ATOM 59 CA LYS A 30 6.463 -5.366 -2.320 1.00 51.12 C ATOM 60 C LYS A 30 6.761 -6.442 -3.359 1.00 24.24 C ATOM 61 O LYS A 30 7.370 -7.466 -3.050 1.00 22.01 O ATOM 62 CB LYS A 30 5.031 -5.523 -1.805 1.00 55.24 C ATOM 63 CG LYS A 30 4.918 -6.422 -0.584 1.00 20.44 C ATOM 64 CD LYS A 30 3.739 -6.028 0.291 1.00 30.01 C ATOM 65 CE LYS A 30 3.459 -7.081 1.352 1.00 13.53 C ATOM 66 NZ LYS A 30 1.999 -7.250 1.595 1.00 12.22 N ATOM 0 H LYS A 30 5.791 -3.503 -3.001 1.00 61.04 H new ATOM 0 HA LYS A 30 7.158 -5.486 -1.489 1.00 51.12 H new ATOM 0 HB2 LYS A 30 4.632 -4.539 -1.559 1.00 55.24 H new ATOM 0 HB3 LYS A 30 4.409 -5.929 -2.603 1.00 55.24 H new ATOM 0 HG2 LYS A 30 4.805 -7.458 -0.903 1.00 20.44 H new ATOM 0 HG3 LYS A 30 5.838 -6.366 -0.003 1.00 20.44 H new ATOM 0 HD2 LYS A 30 3.944 -5.071 0.771 1.00 30.01 H new ATOM 0 HD3 LYS A 30 2.854 -5.890 -0.329 1.00 30.01 H new ATOM 0 HE2 LYS A 30 3.888 -8.033 1.040 1.00 13.53 H new ATOM 0 HE3 LYS A 30 3.952 -6.799 2.282 1.00 13.53 H new ATOM 0 HZ1 LYS A 30 1.850 -7.976 2.324 1.00 12.22 H new ATOM 0 HZ2 LYS A 30 1.594 -6.348 1.917 1.00 12.22 H new ATOM 0 HZ3 LYS A 30 1.532 -7.544 0.713 1.00 12.22 H new ATOM 80 N LEU A 31 6.326 -6.203 -4.592 1.00 34.35 N ATOM 81 CA LEU A 31 6.545 -7.152 -5.678 1.00 32.43 C ATOM 82 C LEU A 31 7.962 -7.035 -6.229 1.00 52.24 C ATOM 83 O LEU A 31 8.601 -8.039 -6.544 1.00 1.45 O ATOM 84 CB LEU A 31 5.528 -6.917 -6.798 1.00 3.42 C ATOM 85 CG LEU A 31 5.478 -8.003 -7.876 1.00 12.24 C ATOM 86 CD1 LEU A 31 6.696 -7.916 -8.781 1.00 1.22 C ATOM 87 CD2 LEU A 31 5.384 -9.383 -7.239 1.00 62.24 C ATOM 0 H LEU A 31 5.820 -5.360 -4.864 1.00 34.35 H new ATOM 0 HA LEU A 31 6.414 -8.158 -5.280 1.00 32.43 H new ATOM 0 HB2 LEU A 31 4.537 -6.824 -6.353 1.00 3.42 H new ATOM 0 HB3 LEU A 31 5.753 -5.964 -7.276 1.00 3.42 H new ATOM 0 HG LEU A 31 4.588 -7.842 -8.484 1.00 12.24 H new ATOM 0 HD11 LEU A 31 6.642 -8.696 -9.540 1.00 1.22 H new ATOM 0 HD12 LEU A 31 6.721 -6.940 -9.265 1.00 1.22 H new ATOM 0 HD13 LEU A 31 7.600 -8.050 -8.188 1.00 1.22 H new ATOM 0 HD21 LEU A 31 5.349 -10.143 -8.020 1.00 62.24 H new ATOM 0 HD22 LEU A 31 6.256 -9.552 -6.607 1.00 62.24 H new ATOM 0 HD23 LEU A 31 4.480 -9.443 -6.634 1.00 62.24 H new ATOM 99 N GLY A 32 8.446 -5.804 -6.343 1.00 42.00 N ATOM 100 CA GLY A 32 9.783 -5.576 -6.858 1.00 2.43 C ATOM 101 C GLY A 32 10.867 -6.047 -5.906 1.00 33.45 C ATOM 102 O GLY A 32 11.998 -6.298 -6.320 1.00 75.21 O ATOM 0 H GLY A 32 7.936 -4.959 -6.088 1.00 42.00 H new ATOM 0 HA2 GLY A 32 9.893 -6.093 -7.811 1.00 2.43 H new ATOM 0 HA3 GLY A 32 9.915 -4.512 -7.055 1.00 2.43 H new ATOM 106 N LYS A 33 10.525 -6.161 -4.625 1.00 0.21 N ATOM 107 CA LYS A 33 11.483 -6.598 -3.615 1.00 54.12 C ATOM 108 C LYS A 33 11.360 -8.096 -3.349 1.00 10.11 C ATOM 109 O LYS A 33 12.325 -8.743 -2.942 1.00 14.51 O ATOM 110 CB LYS A 33 11.273 -5.820 -2.316 1.00 61.41 C ATOM 111 CG LYS A 33 12.503 -5.782 -1.424 1.00 54.31 C ATOM 112 CD LYS A 33 12.401 -4.678 -0.383 1.00 0.33 C ATOM 113 CE LYS A 33 13.658 -4.597 0.467 1.00 50.00 C ATOM 114 NZ LYS A 33 14.576 -3.521 0.001 1.00 3.22 N ATOM 0 H LYS A 33 9.593 -5.957 -4.263 1.00 0.21 H new ATOM 0 HA LYS A 33 12.485 -6.400 -3.995 1.00 54.12 H new ATOM 0 HB2 LYS A 33 10.978 -4.799 -2.558 1.00 61.41 H new ATOM 0 HB3 LYS A 33 10.447 -6.268 -1.763 1.00 61.41 H new ATOM 0 HG2 LYS A 33 12.622 -6.744 -0.926 1.00 54.31 H new ATOM 0 HG3 LYS A 33 13.392 -5.627 -2.035 1.00 54.31 H new ATOM 0 HD2 LYS A 33 12.234 -3.722 -0.880 1.00 0.33 H new ATOM 0 HD3 LYS A 33 11.538 -4.859 0.258 1.00 0.33 H new ATOM 0 HE2 LYS A 33 13.383 -4.414 1.506 1.00 50.00 H new ATOM 0 HE3 LYS A 33 14.178 -5.555 0.439 1.00 50.00 H new ATOM 0 HZ1 LYS A 33 15.421 -3.499 0.607 1.00 3.22 H new ATOM 0 HZ2 LYS A 33 14.860 -3.708 -0.982 1.00 3.22 H new ATOM 0 HZ3 LYS A 33 14.089 -2.603 0.052 1.00 3.22 H new ATOM 128 N LYS A 34 10.170 -8.642 -3.578 1.00 20.14 N ATOM 129 CA LYS A 34 9.928 -10.064 -3.359 1.00 1.22 C ATOM 130 C LYS A 34 10.636 -10.908 -4.413 1.00 4.25 C ATOM 131 O LYS A 34 11.526 -11.697 -4.096 1.00 2.14 O ATOM 132 CB LYS A 34 8.427 -10.356 -3.381 1.00 4.15 C ATOM 133 CG LYS A 34 8.069 -11.742 -2.867 1.00 73.23 C ATOM 134 CD LYS A 34 8.386 -12.816 -3.895 1.00 34.20 C ATOM 135 CE LYS A 34 7.552 -14.066 -3.669 1.00 4.21 C ATOM 136 NZ LYS A 34 7.442 -14.892 -4.903 1.00 74.55 N ATOM 0 H LYS A 34 9.359 -8.123 -3.915 1.00 20.14 H new ATOM 0 HA LYS A 34 10.330 -10.327 -2.380 1.00 1.22 H new ATOM 0 HB2 LYS A 34 7.911 -9.609 -2.777 1.00 4.15 H new ATOM 0 HB3 LYS A 34 8.060 -10.250 -4.402 1.00 4.15 H new ATOM 0 HG2 LYS A 34 8.619 -11.943 -1.947 1.00 73.23 H new ATOM 0 HG3 LYS A 34 7.008 -11.776 -2.618 1.00 73.23 H new ATOM 0 HD2 LYS A 34 8.199 -12.429 -4.897 1.00 34.20 H new ATOM 0 HD3 LYS A 34 9.445 -13.069 -3.843 1.00 34.20 H new ATOM 0 HE2 LYS A 34 7.999 -14.661 -2.873 1.00 4.21 H new ATOM 0 HE3 LYS A 34 6.555 -13.781 -3.333 1.00 4.21 H new ATOM 0 HZ1 LYS A 34 6.865 -15.735 -4.706 1.00 74.55 H new ATOM 0 HZ2 LYS A 34 6.992 -14.333 -5.656 1.00 74.55 H new ATOM 0 HZ3 LYS A 34 8.391 -15.186 -5.210 1.00 74.55 H new ATOM 150 N LEU A 35 10.234 -10.737 -5.667 1.00 22.51 N ATOM 151 CA LEU A 35 10.825 -11.482 -6.773 1.00 14.14 C ATOM 152 C LEU A 35 12.334 -11.264 -6.838 1.00 71.12 C ATOM 153 O LEU A 35 13.097 -12.198 -7.086 1.00 55.13 O ATOM 154 CB LEU A 35 10.186 -11.060 -8.099 1.00 4.24 C ATOM 155 CG LEU A 35 10.203 -12.118 -9.207 1.00 34.21 C ATOM 156 CD1 LEU A 35 9.961 -11.469 -10.560 1.00 31.15 C ATOM 157 CD2 LEU A 35 11.522 -12.880 -9.214 1.00 65.52 C ATOM 0 H LEU A 35 9.499 -10.087 -5.944 1.00 22.51 H new ATOM 0 HA LEU A 35 10.635 -12.542 -6.602 1.00 14.14 H new ATOM 0 HB2 LEU A 35 9.151 -10.775 -7.909 1.00 4.24 H new ATOM 0 HB3 LEU A 35 10.700 -10.170 -8.463 1.00 4.24 H new ATOM 0 HG LEU A 35 9.401 -12.830 -9.009 1.00 34.21 H new ATOM 0 HD11 LEU A 35 9.976 -12.233 -11.338 1.00 31.15 H new ATOM 0 HD12 LEU A 35 8.991 -10.973 -10.557 1.00 31.15 H new ATOM 0 HD13 LEU A 35 10.743 -10.736 -10.757 1.00 31.15 H new ATOM 0 HD21 LEU A 35 11.508 -13.625 -10.010 1.00 65.52 H new ATOM 0 HD22 LEU A 35 12.343 -12.184 -9.383 1.00 65.52 H new ATOM 0 HD23 LEU A 35 11.660 -13.377 -8.254 1.00 65.52 H new ATOM 169 N GLU A 36 12.757 -10.024 -6.619 1.00 13.32 N ATOM 170 CA GLU A 36 14.174 -9.678 -6.659 1.00 24.42 C ATOM 171 C GLU A 36 14.992 -10.596 -5.756 1.00 45.43 C ATOM 172 O GLU A 36 16.111 -10.979 -6.095 1.00 72.54 O ATOM 173 CB GLU A 36 14.374 -8.218 -6.240 1.00 15.42 C ATOM 174 CG GLU A 36 14.671 -7.287 -7.403 1.00 24.04 C ATOM 175 CD GLU A 36 16.135 -6.897 -7.479 1.00 71.05 C ATOM 176 OE1 GLU A 36 16.959 -7.758 -7.847 1.00 55.53 O ATOM 177 OE2 GLU A 36 16.454 -5.730 -7.168 1.00 71.32 O ATOM 0 H GLU A 36 12.138 -9.240 -6.412 1.00 13.32 H new ATOM 0 HA GLU A 36 14.523 -9.809 -7.683 1.00 24.42 H new ATOM 0 HB2 GLU A 36 13.478 -7.870 -5.727 1.00 15.42 H new ATOM 0 HB3 GLU A 36 15.193 -8.163 -5.523 1.00 15.42 H new ATOM 0 HG2 GLU A 36 14.379 -7.771 -8.335 1.00 24.04 H new ATOM 0 HG3 GLU A 36 14.064 -6.387 -7.307 1.00 24.04 H new ATOM 184 N GLY A 37 14.428 -10.945 -4.605 1.00 75.51 N ATOM 185 CA GLY A 37 15.120 -11.814 -3.671 1.00 32.30 C ATOM 186 C GLY A 37 15.553 -13.124 -4.299 1.00 72.33 C ATOM 187 O GLY A 37 16.633 -13.635 -4.002 1.00 24.34 O ATOM 0 H GLY A 37 13.503 -10.641 -4.302 1.00 75.51 H new ATOM 0 HA2 GLY A 37 15.996 -11.296 -3.281 1.00 32.30 H new ATOM 0 HA3 GLY A 37 14.468 -12.021 -2.823 1.00 32.30 H new ATOM 191 N ALA A 38 14.711 -13.669 -5.169 1.00 13.41 N ATOM 192 CA ALA A 38 15.014 -14.929 -5.839 1.00 52.13 C ATOM 193 C ALA A 38 16.130 -14.751 -6.863 1.00 50.30 C ATOM 194 O ALA A 38 17.094 -15.514 -6.886 1.00 34.32 O ATOM 195 CB ALA A 38 13.766 -15.485 -6.507 1.00 52.42 C ATOM 0 H ALA A 38 13.813 -13.259 -5.427 1.00 13.41 H new ATOM 0 HA ALA A 38 15.357 -15.639 -5.086 1.00 52.13 H new ATOM 0 HB1 ALA A 38 14.007 -16.425 -7.003 1.00 52.42 H new ATOM 0 HB2 ALA A 38 12.997 -15.658 -5.754 1.00 52.42 H new ATOM 0 HB3 ALA A 38 13.398 -14.770 -7.243 1.00 52.42 H new ATOM 201 N GLY A 39 15.992 -13.739 -7.711 1.00 43.12 N ATOM 202 CA GLY A 39 16.996 -13.483 -8.727 1.00 54.34 C ATOM 203 C GLY A 39 18.390 -13.315 -8.151 1.00 34.24 C ATOM 204 O GLY A 39 19.382 -13.491 -8.858 1.00 55.43 O ATOM 0 H GLY A 39 15.204 -13.092 -7.714 1.00 43.12 H new ATOM 0 HA2 GLY A 39 17.000 -14.306 -9.442 1.00 54.34 H new ATOM 0 HA3 GLY A 39 16.726 -12.583 -9.279 1.00 54.34 H new ATOM 208 N LYS A 40 18.471 -12.973 -6.868 1.00 21.44 N ATOM 209 CA LYS A 40 19.763 -12.783 -6.215 1.00 42.31 C ATOM 210 C LYS A 40 20.362 -14.117 -5.784 1.00 75.21 C ATOM 211 O LYS A 40 21.564 -14.325 -5.899 1.00 63.34 O ATOM 212 CB LYS A 40 19.630 -11.860 -5.001 1.00 51.42 C ATOM 213 CG LYS A 40 18.689 -10.685 -5.226 1.00 44.53 C ATOM 214 CD LYS A 40 19.393 -9.356 -5.006 1.00 21.22 C ATOM 215 CE LYS A 40 20.017 -8.835 -6.290 1.00 54.44 C ATOM 216 NZ LYS A 40 21.386 -9.382 -6.510 1.00 25.12 N ATOM 0 H LYS A 40 17.663 -12.823 -6.263 1.00 21.44 H new ATOM 0 HA LYS A 40 20.431 -12.319 -6.940 1.00 42.31 H new ATOM 0 HB2 LYS A 40 19.274 -12.442 -4.151 1.00 51.42 H new ATOM 0 HB3 LYS A 40 20.616 -11.479 -4.736 1.00 51.42 H new ATOM 0 HG2 LYS A 40 18.293 -10.724 -6.241 1.00 44.53 H new ATOM 0 HG3 LYS A 40 17.839 -10.764 -4.549 1.00 44.53 H new ATOM 0 HD2 LYS A 40 18.680 -8.625 -4.624 1.00 21.22 H new ATOM 0 HD3 LYS A 40 20.166 -9.474 -4.247 1.00 21.22 H new ATOM 0 HE2 LYS A 40 19.381 -9.100 -7.135 1.00 54.44 H new ATOM 0 HE3 LYS A 40 20.063 -7.747 -6.254 1.00 54.44 H new ATOM 0 HZ1 LYS A 40 21.906 -8.763 -7.164 1.00 25.12 H new ATOM 0 HZ2 LYS A 40 21.891 -9.429 -5.602 1.00 25.12 H new ATOM 0 HZ3 LYS A 40 21.317 -10.336 -6.917 1.00 25.12 H new ATOM 230 N ARG A 41 19.520 -15.019 -5.289 1.00 4.03 N ATOM 231 CA ARG A 41 19.988 -16.333 -4.855 1.00 41.20 C ATOM 232 C ARG A 41 20.133 -17.272 -6.047 1.00 40.11 C ATOM 233 O ARG A 41 21.045 -18.097 -6.101 1.00 43.01 O ATOM 234 CB ARG A 41 19.029 -16.935 -3.819 1.00 53.24 C ATOM 235 CG ARG A 41 17.734 -17.480 -4.409 1.00 2.33 C ATOM 236 CD ARG A 41 17.879 -18.931 -4.847 1.00 13.21 C ATOM 237 NE ARG A 41 17.587 -19.862 -3.760 1.00 61.34 N ATOM 238 CZ ARG A 41 17.290 -21.147 -3.943 1.00 13.33 C ATOM 239 NH1 ARG A 41 17.250 -21.658 -5.168 1.00 65.05 N ATOM 240 NH2 ARG A 41 17.035 -21.924 -2.899 1.00 53.05 N ATOM 0 H ARG A 41 18.517 -14.867 -5.178 1.00 4.03 H new ATOM 0 HA ARG A 41 20.966 -16.208 -4.390 1.00 41.20 H new ATOM 0 HB2 ARG A 41 19.541 -17.739 -3.291 1.00 53.24 H new ATOM 0 HB3 ARG A 41 18.785 -16.172 -3.080 1.00 53.24 H new ATOM 0 HG2 ARG A 41 16.937 -17.401 -3.670 1.00 2.33 H new ATOM 0 HG3 ARG A 41 17.439 -16.870 -5.263 1.00 2.33 H new ATOM 0 HD2 ARG A 41 17.207 -19.127 -5.682 1.00 13.21 H new ATOM 0 HD3 ARG A 41 18.893 -19.101 -5.208 1.00 13.21 H new ATOM 0 HE ARG A 41 17.612 -19.507 -2.804 1.00 61.34 H new ATOM 0 HH11 ARG A 41 17.447 -21.065 -5.974 1.00 65.05 H new ATOM 0 HH12 ARG A 41 17.022 -22.643 -5.302 1.00 65.05 H new ATOM 0 HH21 ARG A 41 17.066 -21.537 -1.956 1.00 53.05 H new ATOM 0 HH22 ARG A 41 16.807 -22.908 -3.039 1.00 53.05 H new ATOM 254 N VAL A 42 19.209 -17.145 -6.994 1.00 2.03 N ATOM 255 CA VAL A 42 19.202 -17.983 -8.188 1.00 22.30 C ATOM 256 C VAL A 42 20.320 -17.609 -9.148 1.00 32.42 C ATOM 257 O VAL A 42 20.733 -18.420 -9.975 1.00 71.42 O ATOM 258 CB VAL A 42 17.859 -17.874 -8.926 1.00 3.14 C ATOM 259 CG1 VAL A 42 17.797 -18.858 -10.085 1.00 51.35 C ATOM 260 CG2 VAL A 42 16.714 -18.101 -7.961 1.00 63.41 C ATOM 0 H VAL A 42 18.450 -16.464 -6.957 1.00 2.03 H new ATOM 0 HA VAL A 42 19.356 -19.008 -7.851 1.00 22.30 H new ATOM 0 HB VAL A 42 17.769 -16.869 -9.338 1.00 3.14 H new ATOM 0 HG11 VAL A 42 16.837 -18.762 -10.592 1.00 51.35 H new ATOM 0 HG12 VAL A 42 18.602 -18.643 -10.788 1.00 51.35 H new ATOM 0 HG13 VAL A 42 17.908 -19.874 -9.706 1.00 51.35 H new ATOM 0 HG21 VAL A 42 15.767 -18.021 -8.495 1.00 63.41 H new ATOM 0 HG22 VAL A 42 16.800 -19.095 -7.521 1.00 63.41 H new ATOM 0 HG23 VAL A 42 16.749 -17.351 -7.171 1.00 63.41 H new ATOM 270 N PHE A 43 20.808 -16.379 -9.043 1.00 71.11 N ATOM 271 CA PHE A 43 21.878 -15.913 -9.912 1.00 61.23 C ATOM 272 C PHE A 43 23.023 -16.927 -9.954 1.00 44.43 C ATOM 273 O PHE A 43 23.751 -17.012 -10.940 1.00 65.12 O ATOM 274 CB PHE A 43 22.375 -14.540 -9.449 1.00 52.51 C ATOM 275 CG PHE A 43 23.460 -14.593 -8.414 1.00 43.22 C ATOM 276 CD1 PHE A 43 23.338 -15.411 -7.304 1.00 51.21 C ATOM 277 CD2 PHE A 43 24.596 -13.819 -8.551 1.00 74.52 C ATOM 278 CE1 PHE A 43 24.333 -15.456 -6.348 1.00 43.21 C ATOM 279 CE2 PHE A 43 25.597 -13.858 -7.599 1.00 64.03 C ATOM 280 CZ PHE A 43 25.466 -14.679 -6.494 1.00 72.45 C ATOM 0 H PHE A 43 20.480 -15.689 -8.367 1.00 71.11 H new ATOM 0 HA PHE A 43 21.486 -15.812 -10.924 1.00 61.23 H new ATOM 0 HB2 PHE A 43 22.741 -13.988 -10.315 1.00 52.51 H new ATOM 0 HB3 PHE A 43 21.532 -13.978 -9.046 1.00 52.51 H new ATOM 0 HD1 PHE A 43 22.455 -16.021 -7.185 1.00 51.21 H new ATOM 0 HD2 PHE A 43 24.703 -13.176 -9.412 1.00 74.52 H new ATOM 0 HE1 PHE A 43 24.226 -16.098 -5.486 1.00 43.21 H new ATOM 0 HE2 PHE A 43 26.480 -13.248 -7.718 1.00 64.03 H new ATOM 0 HZ PHE A 43 26.246 -14.713 -5.748 1.00 72.45 H new ATOM 290 N LYS A 44 23.161 -17.705 -8.881 1.00 33.55 N ATOM 291 CA LYS A 44 24.201 -18.722 -8.803 1.00 40.33 C ATOM 292 C LYS A 44 23.809 -19.927 -9.647 1.00 62.03 C ATOM 293 O LYS A 44 24.657 -20.580 -10.256 1.00 52.23 O ATOM 294 CB LYS A 44 24.424 -19.149 -7.349 1.00 44.52 C ATOM 295 CG LYS A 44 25.598 -18.449 -6.683 1.00 4.33 C ATOM 296 CD LYS A 44 26.522 -19.439 -5.993 1.00 41.11 C ATOM 297 CE LYS A 44 27.453 -18.742 -5.014 1.00 3.21 C ATOM 298 NZ LYS A 44 26.786 -18.469 -3.711 1.00 53.11 N ATOM 0 H LYS A 44 22.564 -17.648 -8.056 1.00 33.55 H new ATOM 0 HA LYS A 44 25.131 -18.303 -9.187 1.00 40.33 H new ATOM 0 HB2 LYS A 44 23.519 -18.947 -6.777 1.00 44.52 H new ATOM 0 HB3 LYS A 44 24.588 -20.226 -7.316 1.00 44.52 H new ATOM 0 HG2 LYS A 44 26.159 -17.887 -7.430 1.00 4.33 H new ATOM 0 HG3 LYS A 44 25.227 -17.728 -5.954 1.00 4.33 H new ATOM 0 HD2 LYS A 44 25.928 -20.185 -5.464 1.00 41.11 H new ATOM 0 HD3 LYS A 44 27.110 -19.971 -6.740 1.00 41.11 H new ATOM 0 HE2 LYS A 44 28.334 -19.361 -4.848 1.00 3.21 H new ATOM 0 HE3 LYS A 44 27.800 -17.804 -5.448 1.00 3.21 H new ATOM 0 HZ1 LYS A 44 27.454 -17.993 -3.072 1.00 53.11 H new ATOM 0 HZ2 LYS A 44 25.959 -17.857 -3.866 1.00 53.11 H new ATOM 0 HZ3 LYS A 44 26.478 -19.366 -3.284 1.00 53.11 H new ATOM 312 N ALA A 45 22.511 -20.203 -9.685 1.00 42.32 N ATOM 313 CA ALA A 45 21.984 -21.314 -10.460 1.00 21.21 C ATOM 314 C ALA A 45 22.057 -21.004 -11.951 1.00 65.04 C ATOM 315 O ALA A 45 22.295 -21.889 -12.772 1.00 52.24 O ATOM 316 CB ALA A 45 20.547 -21.603 -10.046 1.00 54.32 C ATOM 0 H ALA A 45 21.802 -19.668 -9.184 1.00 42.32 H new ATOM 0 HA ALA A 45 22.590 -22.198 -10.263 1.00 21.21 H new ATOM 0 HB1 ALA A 45 20.160 -22.437 -10.632 1.00 54.32 H new ATOM 0 HB2 ALA A 45 20.518 -21.859 -8.987 1.00 54.32 H new ATOM 0 HB3 ALA A 45 19.933 -20.720 -10.223 1.00 54.32 H new ATOM 322 N SER A 46 21.852 -19.734 -12.290 1.00 12.12 N ATOM 323 CA SER A 46 21.893 -19.291 -13.679 1.00 73.31 C ATOM 324 C SER A 46 23.321 -18.973 -14.117 1.00 30.44 C ATOM 325 O SER A 46 23.781 -19.451 -15.154 1.00 74.52 O ATOM 326 CB SER A 46 21.005 -18.061 -13.869 1.00 15.11 C ATOM 327 OG SER A 46 20.299 -18.125 -15.096 1.00 23.31 O ATOM 0 H SER A 46 21.655 -18.992 -11.619 1.00 12.12 H new ATOM 0 HA SER A 46 21.519 -20.105 -14.300 1.00 73.31 H new ATOM 0 HB2 SER A 46 20.298 -17.988 -13.043 1.00 15.11 H new ATOM 0 HB3 SER A 46 21.617 -17.160 -13.845 1.00 15.11 H new ATOM 0 HG SER A 46 19.737 -17.328 -15.192 1.00 23.31 H new ATOM 333 N GLU A 47 24.017 -18.158 -13.326 1.00 14.15 N ATOM 334 CA GLU A 47 25.392 -17.773 -13.643 1.00 15.40 C ATOM 335 C GLU A 47 26.248 -18.999 -13.948 1.00 53.11 C ATOM 336 O GLU A 47 27.147 -18.948 -14.789 1.00 44.20 O ATOM 337 CB GLU A 47 26.012 -16.981 -12.488 1.00 34.43 C ATOM 338 CG GLU A 47 26.318 -17.822 -11.260 1.00 53.33 C ATOM 339 CD GLU A 47 27.682 -18.479 -11.327 1.00 2.42 C ATOM 340 OE1 GLU A 47 28.623 -17.841 -11.843 1.00 11.13 O ATOM 341 OE2 GLU A 47 27.809 -19.633 -10.863 1.00 12.40 O ATOM 0 H GLU A 47 23.653 -17.752 -12.464 1.00 14.15 H new ATOM 0 HA GLU A 47 25.362 -17.141 -14.530 1.00 15.40 H new ATOM 0 HB2 GLU A 47 26.933 -16.513 -12.835 1.00 34.43 H new ATOM 0 HB3 GLU A 47 25.332 -16.177 -12.206 1.00 34.43 H new ATOM 0 HG2 GLU A 47 26.265 -17.193 -10.371 1.00 53.33 H new ATOM 0 HG3 GLU A 47 25.553 -18.591 -11.152 1.00 53.33 H new ATOM 348 N LYS A 48 25.963 -20.098 -13.258 1.00 63.12 N ATOM 349 CA LYS A 48 26.708 -21.338 -13.451 1.00 22.31 C ATOM 350 C LYS A 48 26.435 -21.931 -14.829 1.00 2.22 C ATOM 351 O LYS A 48 27.315 -22.543 -15.435 1.00 60.32 O ATOM 352 CB LYS A 48 26.340 -22.350 -12.365 1.00 72.13 C ATOM 353 CG LYS A 48 27.341 -23.487 -12.230 1.00 65.11 C ATOM 354 CD LYS A 48 28.091 -23.421 -10.909 1.00 32.15 C ATOM 355 CE LYS A 48 29.464 -22.790 -11.079 1.00 71.33 C ATOM 356 NZ LYS A 48 30.198 -22.701 -9.787 1.00 42.15 N ATOM 0 H LYS A 48 25.222 -20.156 -12.560 1.00 63.12 H new ATOM 0 HA LYS A 48 27.771 -21.108 -13.381 1.00 22.31 H new ATOM 0 HB2 LYS A 48 26.260 -21.832 -11.409 1.00 72.13 H new ATOM 0 HB3 LYS A 48 25.357 -22.766 -12.586 1.00 72.13 H new ATOM 0 HG2 LYS A 48 26.820 -24.442 -12.306 1.00 65.11 H new ATOM 0 HG3 LYS A 48 28.052 -23.446 -13.055 1.00 65.11 H new ATOM 0 HD2 LYS A 48 27.511 -22.844 -10.188 1.00 32.15 H new ATOM 0 HD3 LYS A 48 28.199 -24.426 -10.500 1.00 32.15 H new ATOM 0 HE2 LYS A 48 30.048 -23.377 -11.788 1.00 71.33 H new ATOM 0 HE3 LYS A 48 29.355 -21.792 -11.504 1.00 71.33 H new ATOM 0 HZ1 LYS A 48 31.129 -22.265 -9.946 1.00 42.15 H new ATOM 0 HZ2 LYS A 48 29.654 -22.120 -9.118 1.00 42.15 H new ATOM 0 HZ3 LYS A 48 30.325 -23.655 -9.393 1.00 42.15 H new ATOM 370 N ALA A 49 25.212 -21.752 -15.318 1.00 31.20 N ATOM 371 CA ALA A 49 24.830 -22.274 -16.624 1.00 41.53 C ATOM 372 C ALA A 49 24.865 -21.199 -17.697 1.00 43.21 C ATOM 373 O ALA A 49 24.383 -21.421 -18.802 1.00 64.33 O ATOM 374 CB ALA A 49 23.450 -22.896 -16.571 1.00 24.31 C ATOM 0 H ALA A 49 24.470 -21.250 -14.830 1.00 31.20 H new ATOM 0 HA ALA A 49 25.561 -23.039 -16.887 1.00 41.53 H new ATOM 0 HB1 ALA A 49 23.185 -23.279 -17.557 1.00 24.31 H new ATOM 0 HB2 ALA A 49 23.447 -23.714 -15.851 1.00 24.31 H new ATOM 0 HB3 ALA A 49 22.723 -22.143 -16.267 1.00 24.31 H new ATOM 380 N LEU A 50 25.447 -20.039 -17.394 1.00 42.15 N ATOM 381 CA LEU A 50 25.528 -18.976 -18.390 1.00 34.25 C ATOM 382 C LEU A 50 26.210 -19.491 -19.648 1.00 53.11 C ATOM 383 O LEU A 50 25.742 -19.272 -20.756 1.00 35.03 O ATOM 384 CB LEU A 50 26.247 -17.738 -17.847 1.00 64.11 C ATOM 385 CG LEU A 50 26.456 -16.605 -18.850 1.00 15.10 C ATOM 386 CD1 LEU A 50 26.222 -15.255 -18.188 1.00 32.31 C ATOM 387 CD2 LEU A 50 27.856 -16.670 -19.445 1.00 34.13 C ATOM 0 H LEU A 50 25.860 -19.816 -16.488 1.00 42.15 H new ATOM 0 HA LEU A 50 24.511 -18.671 -18.638 1.00 34.25 H new ATOM 0 HB2 LEU A 50 25.678 -17.351 -17.002 1.00 64.11 H new ATOM 0 HB3 LEU A 50 27.220 -18.044 -17.463 1.00 64.11 H new ATOM 0 HG LEU A 50 25.732 -16.723 -19.656 1.00 15.10 H new ATOM 0 HD11 LEU A 50 26.376 -14.460 -18.918 1.00 32.31 H new ATOM 0 HD12 LEU A 50 25.201 -15.208 -17.809 1.00 32.31 H new ATOM 0 HD13 LEU A 50 26.922 -15.129 -17.362 1.00 32.31 H new ATOM 0 HD21 LEU A 50 27.987 -15.855 -20.157 1.00 34.13 H new ATOM 0 HD22 LEU A 50 28.594 -16.578 -18.649 1.00 34.13 H new ATOM 0 HD23 LEU A 50 27.990 -17.624 -19.956 1.00 34.13 H new ATOM 399 N PRO A 51 27.292 -20.244 -19.474 1.00 1.11 N ATOM 400 CA PRO A 51 28.013 -20.861 -20.581 1.00 52.13 C ATOM 401 C PRO A 51 27.137 -21.914 -21.252 1.00 2.13 C ATOM 402 O PRO A 51 27.335 -22.269 -22.414 1.00 52.42 O ATOM 403 CB PRO A 51 29.233 -21.523 -19.922 1.00 52.25 C ATOM 404 CG PRO A 51 29.223 -21.100 -18.487 1.00 22.34 C ATOM 405 CD PRO A 51 27.837 -20.606 -18.176 1.00 70.10 C ATOM 0 HA PRO A 51 28.296 -20.143 -21.351 1.00 52.13 H new ATOM 0 HB2 PRO A 51 29.178 -22.608 -20.007 1.00 52.25 H new ATOM 0 HB3 PRO A 51 30.155 -21.211 -20.412 1.00 52.25 H new ATOM 0 HG2 PRO A 51 29.488 -21.935 -17.838 1.00 22.34 H new ATOM 0 HG3 PRO A 51 29.959 -20.315 -18.313 1.00 22.34 H new ATOM 0 HD2 PRO A 51 27.238 -21.378 -17.693 1.00 70.10 H new ATOM 0 HD3 PRO A 51 27.860 -19.751 -17.501 1.00 70.10 H new ATOM 413 N VAL A 52 26.164 -22.403 -20.485 1.00 44.11 N ATOM 414 CA VAL A 52 25.227 -23.415 -20.948 1.00 24.11 C ATOM 415 C VAL A 52 23.932 -22.784 -21.442 1.00 71.13 C ATOM 416 O VAL A 52 23.168 -23.419 -22.165 1.00 74.54 O ATOM 417 CB VAL A 52 24.923 -24.419 -19.817 1.00 14.44 C ATOM 418 CG1 VAL A 52 23.810 -25.375 -20.205 1.00 31.43 C ATOM 419 CG2 VAL A 52 26.180 -25.184 -19.433 1.00 4.44 C ATOM 0 H VAL A 52 26.006 -22.105 -19.522 1.00 44.11 H new ATOM 0 HA VAL A 52 25.690 -23.942 -21.782 1.00 24.11 H new ATOM 0 HB VAL A 52 24.582 -23.852 -18.951 1.00 14.44 H new ATOM 0 HG11 VAL A 52 23.623 -26.068 -19.385 1.00 31.43 H new ATOM 0 HG12 VAL A 52 22.902 -24.810 -20.417 1.00 31.43 H new ATOM 0 HG13 VAL A 52 24.104 -25.935 -21.093 1.00 31.43 H new ATOM 0 HG21 VAL A 52 25.948 -25.888 -18.634 1.00 4.44 H new ATOM 0 HG22 VAL A 52 26.553 -25.729 -20.300 1.00 4.44 H new ATOM 0 HG23 VAL A 52 26.941 -24.484 -19.090 1.00 4.44 H new ATOM 429 N VAL A 53 23.706 -21.532 -21.070 1.00 52.31 N ATOM 430 CA VAL A 53 22.524 -20.803 -21.499 1.00 4.00 C ATOM 431 C VAL A 53 22.898 -19.901 -22.669 1.00 21.34 C ATOM 432 O VAL A 53 22.073 -19.593 -23.529 1.00 32.43 O ATOM 433 CB VAL A 53 21.915 -19.966 -20.347 1.00 34.24 C ATOM 434 CG1 VAL A 53 22.622 -18.626 -20.197 1.00 74.21 C ATOM 435 CG2 VAL A 53 20.423 -19.764 -20.570 1.00 3.34 C ATOM 0 H VAL A 53 24.332 -20.998 -20.467 1.00 52.31 H new ATOM 0 HA VAL A 53 21.765 -21.522 -21.808 1.00 4.00 H new ATOM 0 HB VAL A 53 22.059 -20.520 -19.419 1.00 34.24 H new ATOM 0 HG11 VAL A 53 22.169 -18.065 -19.380 1.00 74.21 H new ATOM 0 HG12 VAL A 53 23.677 -18.794 -19.981 1.00 74.21 H new ATOM 0 HG13 VAL A 53 22.527 -18.059 -21.123 1.00 74.21 H new ATOM 0 HG21 VAL A 53 20.009 -19.174 -19.752 1.00 3.34 H new ATOM 0 HG22 VAL A 53 20.264 -19.240 -21.512 1.00 3.34 H new ATOM 0 HG23 VAL A 53 19.926 -20.733 -20.606 1.00 3.34 H new ATOM 445 N VAL A 54 24.167 -19.503 -22.690 1.00 15.43 N ATOM 446 CA VAL A 54 24.698 -18.659 -23.745 1.00 40.44 C ATOM 447 C VAL A 54 25.066 -19.489 -24.954 1.00 33.02 C ATOM 448 O VAL A 54 24.796 -19.103 -26.082 1.00 52.54 O ATOM 449 CB VAL A 54 25.946 -17.881 -23.281 1.00 24.23 C ATOM 450 CG1 VAL A 54 25.661 -17.084 -22.017 1.00 23.12 C ATOM 451 CG2 VAL A 54 27.126 -18.823 -23.063 1.00 62.52 C ATOM 0 H VAL A 54 24.850 -19.758 -21.977 1.00 15.43 H new ATOM 0 HA VAL A 54 23.916 -17.946 -24.005 1.00 40.44 H new ATOM 0 HB VAL A 54 26.208 -17.178 -24.072 1.00 24.23 H new ATOM 0 HG11 VAL A 54 26.560 -16.547 -21.715 1.00 23.12 H new ATOM 0 HG12 VAL A 54 24.859 -16.371 -22.210 1.00 23.12 H new ATOM 0 HG13 VAL A 54 25.359 -17.763 -21.219 1.00 23.12 H new ATOM 0 HG21 VAL A 54 27.994 -18.250 -22.736 1.00 62.52 H new ATOM 0 HG22 VAL A 54 26.869 -19.558 -22.301 1.00 62.52 H new ATOM 0 HG23 VAL A 54 27.360 -19.335 -23.996 1.00 62.52 H new ATOM 461 N GLY A 55 25.685 -20.633 -24.706 1.00 72.32 N ATOM 462 CA GLY A 55 26.082 -21.507 -25.790 1.00 24.12 C ATOM 463 C GLY A 55 24.987 -21.669 -26.817 1.00 30.41 C ATOM 464 O GLY A 55 25.259 -21.864 -27.998 1.00 10.25 O ATOM 0 H GLY A 55 25.920 -20.972 -23.773 1.00 72.32 H new ATOM 0 HA2 GLY A 55 26.974 -21.105 -26.271 1.00 24.12 H new ATOM 0 HA3 GLY A 55 26.349 -22.484 -25.388 1.00 24.12 H new ATOM 468 N ILE A 56 23.743 -21.564 -26.366 1.00 14.55 N ATOM 469 CA ILE A 56 22.601 -21.680 -27.272 1.00 43.24 C ATOM 470 C ILE A 56 22.330 -20.338 -27.933 1.00 0.44 C ATOM 471 O ILE A 56 22.033 -20.265 -29.125 1.00 74.11 O ATOM 472 CB ILE A 56 21.321 -22.150 -26.551 1.00 25.05 C ATOM 473 CG1 ILE A 56 21.665 -23.093 -25.402 1.00 22.02 C ATOM 474 CG2 ILE A 56 20.376 -22.826 -27.533 1.00 30.55 C ATOM 475 CD1 ILE A 56 21.687 -22.401 -24.061 1.00 32.41 C ATOM 0 H ILE A 56 23.498 -21.400 -25.390 1.00 14.55 H new ATOM 0 HA ILE A 56 22.861 -22.431 -28.018 1.00 43.24 H new ATOM 0 HB ILE A 56 20.820 -21.276 -26.136 1.00 25.05 H new ATOM 0 HG12 ILE A 56 20.938 -23.905 -25.375 1.00 22.02 H new ATOM 0 HG13 ILE A 56 22.640 -23.544 -25.588 1.00 22.02 H new ATOM 0 HG21 ILE A 56 19.478 -23.152 -27.008 1.00 30.55 H new ATOM 0 HG22 ILE A 56 20.102 -22.121 -28.318 1.00 30.55 H new ATOM 0 HG23 ILE A 56 20.870 -23.690 -27.977 1.00 30.55 H new ATOM 0 HD11 ILE A 56 21.937 -23.123 -23.283 1.00 32.41 H new ATOM 0 HD12 ILE A 56 22.434 -21.607 -24.073 1.00 32.41 H new ATOM 0 HD13 ILE A 56 20.706 -21.973 -23.856 1.00 32.41 H new ATOM 487 N LYS A 57 22.461 -19.275 -27.153 1.00 5.00 N ATOM 488 CA LYS A 57 22.265 -17.930 -27.665 1.00 11.31 C ATOM 489 C LYS A 57 23.490 -17.508 -28.466 1.00 1.45 C ATOM 490 O LYS A 57 23.416 -16.622 -29.318 1.00 12.53 O ATOM 491 CB LYS A 57 22.015 -16.947 -26.518 1.00 72.43 C ATOM 492 CG LYS A 57 20.546 -16.626 -26.299 1.00 70.31 C ATOM 493 CD LYS A 57 20.363 -15.557 -25.235 1.00 65.14 C ATOM 494 CE LYS A 57 20.285 -16.164 -23.843 1.00 61.43 C ATOM 495 NZ LYS A 57 21.590 -16.739 -23.414 1.00 3.35 N ATOM 0 H LYS A 57 22.702 -19.320 -26.163 1.00 5.00 H new ATOM 0 HA LYS A 57 21.390 -17.922 -28.315 1.00 11.31 H new ATOM 0 HB2 LYS A 57 22.428 -17.362 -25.599 1.00 72.43 H new ATOM 0 HB3 LYS A 57 22.554 -16.021 -26.720 1.00 72.43 H new ATOM 0 HG2 LYS A 57 20.103 -16.288 -27.236 1.00 70.31 H new ATOM 0 HG3 LYS A 57 20.015 -17.531 -26.003 1.00 70.31 H new ATOM 0 HD2 LYS A 57 21.193 -14.852 -25.280 1.00 65.14 H new ATOM 0 HD3 LYS A 57 19.453 -14.992 -25.438 1.00 65.14 H new ATOM 0 HE2 LYS A 57 19.973 -15.400 -23.131 1.00 61.43 H new ATOM 0 HE3 LYS A 57 19.523 -16.943 -23.829 1.00 61.43 H new ATOM 0 HZ1 LYS A 57 21.719 -16.584 -22.394 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 21.602 -17.760 -23.613 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 22.362 -16.276 -23.935 1.00 3.35 H new ATOM 509 N ALA A 58 24.618 -18.162 -28.189 1.00 44.45 N ATOM 510 CA ALA A 58 25.861 -17.873 -28.885 1.00 34.12 C ATOM 511 C ALA A 58 25.937 -18.663 -30.189 1.00 21.10 C ATOM 512 O ALA A 58 26.573 -18.235 -31.152 1.00 45.23 O ATOM 513 CB ALA A 58 27.049 -18.189 -27.985 1.00 40.32 C ATOM 0 H ALA A 58 24.691 -18.896 -27.485 1.00 44.45 H new ATOM 0 HA ALA A 58 25.890 -16.812 -29.132 1.00 34.12 H new ATOM 0 HB1 ALA A 58 27.976 -17.969 -28.515 1.00 40.32 H new ATOM 0 HB2 ALA A 58 26.994 -17.580 -27.083 1.00 40.32 H new ATOM 0 HB3 ALA A 58 27.028 -19.244 -27.712 1.00 40.32 H new ATOM 519 N ILE A 59 25.264 -19.812 -30.215 1.00 25.45 N ATOM 520 CA ILE A 59 25.234 -20.659 -31.402 1.00 50.42 C ATOM 521 C ILE A 59 24.058 -20.286 -32.289 1.00 61.21 C ATOM 522 O ILE A 59 24.200 -20.140 -33.503 1.00 52.34 O ATOM 523 CB ILE A 59 25.147 -22.151 -31.035 1.00 23.42 C ATOM 524 CG1 ILE A 59 23.895 -22.445 -30.211 1.00 54.12 C ATOM 525 CG2 ILE A 59 26.392 -22.560 -30.278 1.00 61.43 C ATOM 526 CD1 ILE A 59 22.696 -22.835 -31.049 1.00 1.52 C ATOM 0 H ILE A 59 24.732 -20.177 -29.425 1.00 25.45 H new ATOM 0 HA ILE A 59 26.167 -20.494 -31.942 1.00 50.42 H new ATOM 0 HB ILE A 59 25.079 -22.733 -31.954 1.00 23.42 H new ATOM 0 HG12 ILE A 59 24.113 -23.249 -29.508 1.00 54.12 H new ATOM 0 HG13 ILE A 59 23.644 -21.564 -29.620 1.00 54.12 H new ATOM 0 HG21 ILE A 59 26.329 -23.617 -30.019 1.00 61.43 H new ATOM 0 HG22 ILE A 59 27.269 -22.391 -30.902 1.00 61.43 H new ATOM 0 HG23 ILE A 59 26.475 -21.967 -29.367 1.00 61.43 H new ATOM 0 HD11 ILE A 59 21.844 -23.029 -30.397 1.00 1.52 H new ATOM 0 HD12 ILE A 59 22.451 -22.023 -31.734 1.00 1.52 H new ATOM 0 HD13 ILE A 59 22.928 -23.734 -31.620 1.00 1.52 H new ATOM 538 N GLY A 60 22.902 -20.107 -31.665 1.00 11.41 N ATOM 539 CA GLY A 60 21.720 -19.720 -32.401 1.00 44.33 C ATOM 540 C GLY A 60 21.622 -18.214 -32.527 1.00 22.13 C ATOM 541 O GLY A 60 20.708 -17.691 -33.165 1.00 61.53 O ATOM 0 H GLY A 60 22.764 -20.224 -30.661 1.00 11.41 H new ATOM 0 HA2 GLY A 60 21.743 -20.170 -33.394 1.00 44.33 H new ATOM 0 HA3 GLY A 60 20.833 -20.104 -31.897 1.00 44.33 H new ATOM 545 N LYS A 61 22.575 -17.514 -31.909 1.00 63.44 N ATOM 546 CA LYS A 61 22.601 -16.056 -31.949 1.00 52.14 C ATOM 547 C LYS A 61 21.325 -15.472 -31.353 1.00 52.21 C ATOM 548 O LYS A 61 21.254 -14.233 -31.207 1.00 2.55 O ATOM 549 CB LYS A 61 22.777 -15.568 -33.388 1.00 32.25 C ATOM 550 CG LYS A 61 24.221 -15.275 -33.759 1.00 30.20 C ATOM 551 CD LYS A 61 24.350 -14.844 -35.212 1.00 62.34 C ATOM 552 CE LYS A 61 25.329 -13.692 -35.367 1.00 2.14 C ATOM 553 NZ LYS A 61 26.244 -13.894 -36.525 1.00 41.40 N ATOM 554 OXT LYS A 61 20.406 -16.257 -31.037 1.00 37.70 O ATOM 0 H LYS A 61 23.336 -17.935 -31.377 1.00 63.44 H new ATOM 0 HA LYS A 61 23.447 -15.716 -31.352 1.00 52.14 H new ATOM 0 HB2 LYS A 61 22.381 -16.321 -34.069 1.00 32.25 H new ATOM 0 HB3 LYS A 61 22.183 -14.665 -33.532 1.00 32.25 H new ATOM 0 HG2 LYS A 61 24.612 -14.491 -33.110 1.00 30.20 H new ATOM 0 HG3 LYS A 61 24.829 -16.163 -33.587 1.00 30.20 H new ATOM 0 HD2 LYS A 61 24.683 -15.689 -35.815 1.00 62.34 H new ATOM 0 HD3 LYS A 61 23.373 -14.546 -35.592 1.00 62.34 H new ATOM 0 HE2 LYS A 61 24.777 -12.761 -35.498 1.00 2.14 H new ATOM 0 HE3 LYS A 61 25.916 -13.589 -34.454 1.00 2.14 H new ATOM 0 HZ1 LYS A 61 26.896 -13.087 -36.597 1.00 41.40 H new ATOM 0 HZ2 LYS A 61 26.789 -14.769 -36.388 1.00 41.40 H new ATOM 0 HZ3 LYS A 61 25.686 -13.967 -37.400 1.00 41.40 H new