USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 163 hydrogens (2 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 GLY N :NH3+ -173:sc= 0 (180deg=-0.075) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.483 -0.081 0.927 1.00 25.00 N ATOM 2 CA GLY A 1 2.425 -0.890 0.092 1.00 25.00 C ATOM 3 C GLY A 1 3.820 -0.314 0.024 1.00 25.00 C ATOM 4 O GLY A 1 4.830 -0.956 0.173 1.00 25.00 O ATOM 0 H1 GLY A 1 0.583 -0.591 1.028 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.899 0.076 1.867 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.312 0.836 0.467 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.478 -1.901 0.495 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.024 -0.970 -0.919 1.00 25.00 H new ATOM 10 N ILE A 2 3.843 1.011 -0.126 1.00 25.00 N ATOM 11 CA ILE A 2 5.087 1.786 -0.158 1.00 25.00 C ATOM 12 C ILE A 2 5.753 1.661 1.212 1.00 25.00 C ATOM 13 O ILE A 2 6.972 1.512 1.333 1.00 25.00 O ATOM 14 CB ILE A 2 4.801 3.296 -0.475 1.00 25.00 C ATOM 15 CG1 ILE A 2 4.082 3.424 -1.837 1.00 25.00 C ATOM 16 CG2 ILE A 2 6.123 4.116 -0.484 1.00 25.00 C ATOM 17 CD1 ILE A 2 3.528 4.831 -2.137 1.00 25.00 C ATOM 0 H ILE A 2 3.001 1.578 -0.229 1.00 25.00 H new ATOM 0 HA ILE A 2 5.739 1.401 -0.942 1.00 25.00 H new ATOM 0 HB ILE A 2 4.155 3.698 0.306 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.777 3.145 -2.628 1.00 25.00 H new ATOM 0 HG13 ILE A 2 3.260 2.709 -1.868 1.00 25.00 H new ATOM 0 HG21 ILE A 2 5.902 5.160 -0.706 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.601 4.046 0.493 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.793 3.717 -1.246 1.00 25.00 H new ATOM 0 HD11 ILE A 2 3.040 4.830 -3.112 1.00 25.00 H new ATOM 0 HD12 ILE A 2 2.805 5.109 -1.370 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.346 5.551 -2.142 1.00 25.00 H new ATOM 29 N LEU A 3 4.922 1.667 2.246 1.00 25.00 N ATOM 30 CA LEU A 3 5.392 1.555 3.622 1.00 25.00 C ATOM 31 C LEU A 3 6.117 0.239 3.877 1.00 25.00 C ATOM 32 O LEU A 3 7.066 0.212 4.643 1.00 25.00 O ATOM 33 CB LEU A 3 4.200 1.676 4.585 1.00 25.00 C ATOM 34 CG LEU A 3 4.514 1.634 6.097 1.00 25.00 C ATOM 35 CD1 LEU A 3 5.450 2.771 6.523 1.00 25.00 C ATOM 36 CD2 LEU A 3 3.210 1.718 6.885 1.00 25.00 C ATOM 0 H LEU A 3 3.909 1.749 2.157 1.00 25.00 H new ATOM 0 HA LEU A 3 6.102 2.364 3.793 1.00 25.00 H new ATOM 0 HB2 LEU A 3 3.686 2.613 4.372 1.00 25.00 H new ATOM 0 HB3 LEU A 3 3.501 0.870 4.362 1.00 25.00 H new ATOM 0 HG LEU A 3 5.024 0.694 6.307 1.00 25.00 H new ATOM 0 HD11 LEU A 3 5.643 2.702 7.594 1.00 25.00 H new ATOM 0 HD12 LEU A 3 6.391 2.691 5.979 1.00 25.00 H new ATOM 0 HD13 LEU A 3 4.982 3.730 6.300 1.00 25.00 H new ATOM 0 HD21 LEU A 3 3.428 1.689 7.953 1.00 25.00 H new ATOM 0 HD22 LEU A 3 2.699 2.650 6.644 1.00 25.00 H new ATOM 0 HD23 LEU A 3 2.571 0.875 6.622 1.00 25.00 H new ATOM 48 N SER A 4 5.684 -0.836 3.226 1.00 25.00 N ATOM 49 CA SER A 4 6.242 -2.178 3.456 1.00 25.00 C ATOM 50 C SER A 4 7.763 -2.234 3.296 1.00 25.00 C ATOM 51 O SER A 4 8.447 -2.923 4.046 1.00 25.00 O ATOM 52 CB SER A 4 5.601 -3.177 2.486 1.00 25.00 C ATOM 53 OG SER A 4 6.214 -4.449 2.557 1.00 25.00 O ATOM 0 H SER A 4 4.942 -0.810 2.527 1.00 25.00 H new ATOM 0 HA SER A 4 6.015 -2.437 4.490 1.00 25.00 H new ATOM 0 HB2 SER A 4 4.539 -3.273 2.713 1.00 25.00 H new ATOM 0 HB3 SER A 4 5.676 -2.794 1.468 1.00 25.00 H new ATOM 0 HG SER A 4 5.777 -5.058 1.926 1.00 25.00 H new ATOM 59 N SER A 5 8.310 -1.469 2.361 1.00 25.00 N ATOM 60 CA SER A 5 9.761 -1.456 2.159 1.00 25.00 C ATOM 61 C SER A 5 10.488 -1.052 3.449 1.00 25.00 C ATOM 62 O SER A 5 11.414 -1.733 3.907 1.00 25.00 O ATOM 63 CB SER A 5 10.119 -0.484 1.030 1.00 25.00 C ATOM 64 OG SER A 5 11.514 -0.470 0.791 1.00 25.00 O ATOM 0 H SER A 5 7.785 -0.857 1.737 1.00 25.00 H new ATOM 0 HA SER A 5 10.081 -2.461 1.886 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.594 -0.771 0.119 1.00 25.00 H new ATOM 0 HB3 SER A 5 9.782 0.519 1.290 1.00 25.00 H new ATOM 0 HG SER A 5 11.715 0.157 0.065 1.00 25.00 H new ATOM 70 N LEU A 6 10.045 0.037 4.060 1.00 25.00 N ATOM 71 CA LEU A 6 10.622 0.489 5.323 1.00 25.00 C ATOM 72 C LEU A 6 10.151 -0.380 6.485 1.00 25.00 C ATOM 73 O LEU A 6 10.896 -0.638 7.422 1.00 25.00 O ATOM 74 CB LEU A 6 10.262 1.954 5.569 1.00 25.00 C ATOM 75 CG LEU A 6 11.451 2.800 6.054 1.00 25.00 C ATOM 76 CD1 LEU A 6 11.150 4.277 5.822 1.00 25.00 C ATOM 77 CD2 LEU A 6 11.776 2.573 7.532 1.00 25.00 C ATOM 0 H LEU A 6 9.290 0.624 3.705 1.00 25.00 H new ATOM 0 HA LEU A 6 11.706 0.398 5.256 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.871 2.384 4.647 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.463 2.005 6.309 1.00 25.00 H new ATOM 0 HG LEU A 6 12.324 2.489 5.480 1.00 25.00 H new ATOM 0 HD11 LEU A 6 11.992 4.878 6.165 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.988 4.453 4.758 1.00 25.00 H new ATOM 0 HD13 LEU A 6 10.254 4.557 6.376 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.623 3.196 7.818 1.00 25.00 H new ATOM 0 HD22 LEU A 6 10.910 2.837 8.140 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.026 1.524 7.693 1.00 25.00 H new ATOM 89 N TRP A 7 8.914 -0.838 6.414 1.00 25.00 N ATOM 90 CA TRP A 7 8.323 -1.649 7.471 1.00 25.00 C ATOM 91 C TRP A 7 9.112 -2.933 7.680 1.00 25.00 C ATOM 92 O TRP A 7 9.446 -3.295 8.795 1.00 25.00 O ATOM 93 CB TRP A 7 6.874 -1.981 7.123 1.00 25.00 C ATOM 94 CG TRP A 7 6.130 -2.549 8.262 1.00 25.00 C ATOM 95 CD1 TRP A 7 5.316 -1.895 9.108 1.00 25.00 C ATOM 96 CD2 TRP A 7 6.117 -3.918 8.692 1.00 25.00 C ATOM 97 NE1 TRP A 7 4.799 -2.730 10.059 1.00 25.00 N ATOM 98 CE2 TRP A 7 5.277 -3.993 9.836 1.00 25.00 C ATOM 99 CE3 TRP A 7 6.727 -5.092 8.223 1.00 25.00 C ATOM 100 CZ2 TRP A 7 5.051 -5.205 10.521 1.00 25.00 C ATOM 101 CZ3 TRP A 7 6.498 -6.301 8.892 1.00 25.00 C ATOM 102 CH2 TRP A 7 5.670 -6.348 10.038 1.00 25.00 C ATOM 0 H TRP A 7 8.290 -0.661 5.627 1.00 25.00 H new ATOM 0 HA TRP A 7 8.351 -1.076 8.398 1.00 25.00 H new ATOM 0 HB2 TRP A 7 6.371 -1.077 6.781 1.00 25.00 H new ATOM 0 HB3 TRP A 7 6.857 -2.689 6.294 1.00 25.00 H new ATOM 0 HD1 TRP A 7 5.097 -0.839 9.044 1.00 25.00 H new ATOM 0 HE1 TRP A 7 4.164 -2.457 10.809 1.00 25.00 H new ATOM 0 HE3 TRP A 7 7.367 -5.063 7.354 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 4.416 -5.242 11.394 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 6.959 -7.208 8.529 1.00 25.00 H new ATOM 0 HH2 TRP A 7 5.517 -7.289 10.545 1.00 25.00 H new ATOM 113 N LYS A 8 9.446 -3.621 6.603 1.00 25.00 N ATOM 114 CA LYS A 8 10.201 -4.867 6.706 1.00 25.00 C ATOM 115 C LYS A 8 11.649 -4.594 7.091 1.00 25.00 C ATOM 116 O LYS A 8 12.287 -5.423 7.738 1.00 25.00 O ATOM 117 CB LYS A 8 10.079 -5.647 5.396 1.00 25.00 C ATOM 118 CG LYS A 8 8.630 -6.117 5.160 1.00 25.00 C ATOM 119 CD LYS A 8 8.345 -6.495 3.716 1.00 25.00 C ATOM 120 CE LYS A 8 9.016 -7.765 3.257 1.00 25.00 C ATOM 121 NZ LYS A 8 8.567 -8.026 1.848 1.00 25.00 N ATOM 0 H LYS A 8 9.210 -3.344 5.650 1.00 25.00 H new ATOM 0 HA LYS A 8 9.783 -5.484 7.502 1.00 25.00 H new ATOM 0 HB2 LYS A 8 10.400 -5.019 4.565 1.00 25.00 H new ATOM 0 HB3 LYS A 8 10.745 -6.510 5.420 1.00 25.00 H new ATOM 0 HG2 LYS A 8 8.426 -6.976 5.800 1.00 25.00 H new ATOM 0 HG3 LYS A 8 7.945 -5.325 5.462 1.00 25.00 H new ATOM 0 HD2 LYS A 8 7.268 -6.601 3.588 1.00 25.00 H new ATOM 0 HD3 LYS A 8 8.664 -5.677 3.070 1.00 25.00 H new ATOM 0 HE2 LYS A 8 10.100 -7.664 3.302 1.00 25.00 H new ATOM 0 HE3 LYS A 8 8.746 -8.598 3.906 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 9.012 -8.898 1.498 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 7.533 -8.133 1.827 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 8.845 -7.228 1.242 1.00 25.00 H new ATOM 135 N LYS A 9 12.152 -3.407 6.769 1.00 25.00 N ATOM 136 CA LYS A 9 13.493 -3.007 7.208 1.00 25.00 C ATOM 137 C LYS A 9 13.501 -2.837 8.732 1.00 25.00 C ATOM 138 O LYS A 9 14.388 -3.353 9.414 1.00 25.00 O ATOM 139 CB LYS A 9 13.901 -1.701 6.512 1.00 25.00 C ATOM 140 CG LYS A 9 15.328 -1.249 6.779 1.00 25.00 C ATOM 141 CD LYS A 9 15.583 0.094 6.093 1.00 25.00 C ATOM 142 CE LYS A 9 17.020 0.566 6.301 1.00 25.00 C ATOM 143 NZ LYS A 9 17.256 1.903 5.644 1.00 25.00 N ATOM 0 H LYS A 9 11.661 -2.708 6.211 1.00 25.00 H new ATOM 0 HA LYS A 9 14.214 -3.779 6.938 1.00 25.00 H new ATOM 0 HB2 LYS A 9 13.770 -1.824 5.437 1.00 25.00 H new ATOM 0 HB3 LYS A 9 13.220 -0.910 6.828 1.00 25.00 H new ATOM 0 HG2 LYS A 9 15.495 -1.157 7.852 1.00 25.00 H new ATOM 0 HG3 LYS A 9 16.031 -1.996 6.410 1.00 25.00 H new ATOM 0 HD2 LYS A 9 15.380 0.003 5.026 1.00 25.00 H new ATOM 0 HD3 LYS A 9 14.893 0.841 6.486 1.00 25.00 H new ATOM 0 HE2 LYS A 9 17.230 0.640 7.368 1.00 25.00 H new ATOM 0 HE3 LYS A 9 17.710 -0.171 5.890 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 18.241 2.198 5.802 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 17.078 1.824 4.622 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 16.613 2.610 6.054 1.00 25.00 H new ATOM 157 N LEU A 10 12.505 -2.137 9.262 1.00 25.00 N ATOM 158 CA LEU A 10 12.391 -1.909 10.708 1.00 25.00 C ATOM 159 C LEU A 10 11.907 -3.154 11.458 1.00 25.00 C ATOM 160 O LEU A 10 12.121 -3.267 12.656 1.00 25.00 O ATOM 161 CB LEU A 10 11.534 -0.665 11.024 1.00 25.00 C ATOM 162 CG LEU A 10 10.017 -0.659 10.766 1.00 25.00 C ATOM 163 CD1 LEU A 10 9.214 -1.295 11.898 1.00 25.00 C ATOM 164 CD2 LEU A 10 9.546 0.781 10.568 1.00 25.00 C ATOM 0 H LEU A 10 11.758 -1.713 8.713 1.00 25.00 H new ATOM 0 HA LEU A 10 13.396 -1.704 11.076 1.00 25.00 H new ATOM 0 HB2 LEU A 10 11.679 -0.438 12.080 1.00 25.00 H new ATOM 0 HB3 LEU A 10 11.957 0.165 10.459 1.00 25.00 H new ATOM 0 HG LEU A 10 9.843 -1.258 9.872 1.00 25.00 H new ATOM 0 HD11 LEU A 10 8.152 -1.259 11.655 1.00 25.00 H new ATOM 0 HD12 LEU A 10 9.523 -2.333 12.025 1.00 25.00 H new ATOM 0 HD13 LEU A 10 9.393 -0.748 12.823 1.00 25.00 H new ATOM 0 HD21 LEU A 10 8.472 0.790 10.385 1.00 25.00 H new ATOM 0 HD22 LEU A 10 9.767 1.362 11.463 1.00 25.00 H new ATOM 0 HD23 LEU A 10 10.063 1.219 9.714 1.00 25.00 H new ATOM 176 N LYS A 11 11.273 -4.090 10.754 1.00 25.00 N ATOM 177 CA LYS A 11 10.791 -5.352 11.352 1.00 25.00 C ATOM 178 C LYS A 11 11.886 -6.080 12.112 1.00 25.00 C ATOM 179 O LYS A 11 11.614 -6.821 13.032 1.00 25.00 O ATOM 180 CB LYS A 11 10.204 -6.293 10.293 1.00 25.00 C ATOM 181 CG LYS A 11 9.324 -7.397 10.894 1.00 25.00 C ATOM 182 CD LYS A 11 9.095 -8.548 9.934 1.00 25.00 C ATOM 183 CE LYS A 11 8.084 -9.524 10.539 1.00 25.00 C ATOM 184 NZ LYS A 11 7.797 -10.690 9.635 1.00 25.00 N ATOM 0 H LYS A 11 11.075 -4.004 9.757 1.00 25.00 H new ATOM 0 HA LYS A 11 10.007 -5.070 12.054 1.00 25.00 H new ATOM 0 HB2 LYS A 11 9.614 -5.711 9.585 1.00 25.00 H new ATOM 0 HB3 LYS A 11 11.018 -6.751 9.730 1.00 25.00 H new ATOM 0 HG2 LYS A 11 9.792 -7.775 11.803 1.00 25.00 H new ATOM 0 HG3 LYS A 11 8.362 -6.973 11.183 1.00 25.00 H new ATOM 0 HD2 LYS A 11 8.727 -8.172 8.980 1.00 25.00 H new ATOM 0 HD3 LYS A 11 10.036 -9.060 9.733 1.00 25.00 H new ATOM 0 HE2 LYS A 11 8.465 -9.892 11.492 1.00 25.00 H new ATOM 0 HE3 LYS A 11 7.155 -8.995 10.750 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 7.107 -11.321 10.091 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 7.408 -10.344 8.735 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 8.677 -11.213 9.453 1.00 25.00 H new ATOM 198 N LYS A 12 13.135 -5.861 11.741 1.00 25.00 N ATOM 199 CA LYS A 12 14.255 -6.440 12.490 1.00 25.00 C ATOM 200 C LYS A 12 14.204 -6.092 13.985 1.00 25.00 C ATOM 201 O LYS A 12 14.616 -6.889 14.805 1.00 25.00 O ATOM 202 CB LYS A 12 15.588 -6.005 11.884 1.00 25.00 C ATOM 203 CG LYS A 12 15.794 -6.539 10.472 1.00 25.00 C ATOM 204 CD LYS A 12 17.188 -6.226 9.957 1.00 25.00 C ATOM 205 CE LYS A 12 17.375 -6.784 8.549 1.00 25.00 C ATOM 206 NZ LYS A 12 18.782 -6.589 8.054 1.00 25.00 N ATOM 0 H LYS A 12 13.406 -5.295 10.937 1.00 25.00 H new ATOM 0 HA LYS A 12 14.164 -7.523 12.411 1.00 25.00 H new ATOM 0 HB2 LYS A 12 15.637 -4.916 11.867 1.00 25.00 H new ATOM 0 HB3 LYS A 12 16.402 -6.351 12.521 1.00 25.00 H new ATOM 0 HG2 LYS A 12 15.635 -7.617 10.463 1.00 25.00 H new ATOM 0 HG3 LYS A 12 15.052 -6.102 9.804 1.00 25.00 H new ATOM 0 HD2 LYS A 12 17.346 -5.148 9.951 1.00 25.00 H new ATOM 0 HD3 LYS A 12 17.934 -6.654 10.626 1.00 25.00 H new ATOM 0 HE2 LYS A 12 17.132 -7.846 8.544 1.00 25.00 H new ATOM 0 HE3 LYS A 12 16.679 -6.294 7.868 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 18.870 -6.981 7.095 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 19.006 -5.574 8.035 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 19.444 -7.078 8.690 1.00 25.00 H new ATOM 220 N ILE A 13 13.701 -4.913 14.320 1.00 25.00 N ATOM 221 CA ILE A 13 13.533 -4.497 15.716 1.00 25.00 C ATOM 222 C ILE A 13 12.336 -5.240 16.331 1.00 25.00 C ATOM 223 O ILE A 13 12.367 -5.638 17.481 1.00 25.00 O ATOM 224 CB ILE A 13 13.273 -2.952 15.806 1.00 25.00 C ATOM 225 CG1 ILE A 13 14.426 -2.174 15.129 1.00 25.00 C ATOM 226 CG2 ILE A 13 13.121 -2.504 17.281 1.00 25.00 C ATOM 227 CD1 ILE A 13 14.129 -0.680 14.893 1.00 25.00 C ATOM 0 H ILE A 13 13.397 -4.216 13.640 1.00 25.00 H new ATOM 0 HA ILE A 13 14.446 -4.736 16.260 1.00 25.00 H new ATOM 0 HB ILE A 13 12.343 -2.732 15.283 1.00 25.00 H new ATOM 0 HG12 ILE A 13 15.320 -2.262 15.747 1.00 25.00 H new ATOM 0 HG13 ILE A 13 14.653 -2.643 14.172 1.00 25.00 H new ATOM 0 HG21 ILE A 13 12.942 -1.430 17.318 1.00 25.00 H new ATOM 0 HG22 ILE A 13 12.280 -3.028 17.736 1.00 25.00 H new ATOM 0 HG23 ILE A 13 14.034 -2.739 17.828 1.00 25.00 H new ATOM 0 HD11 ILE A 13 14.988 -0.209 14.415 1.00 25.00 H new ATOM 0 HD12 ILE A 13 13.255 -0.580 14.249 1.00 25.00 H new ATOM 0 HD13 ILE A 13 13.933 -0.193 15.848 1.00 25.00 H new ATOM 239 N ILE A 14 11.287 -5.427 15.539 1.00 25.00 N ATOM 240 CA ILE A 14 10.058 -6.115 15.986 1.00 25.00 C ATOM 241 C ILE A 14 10.385 -7.579 16.306 1.00 25.00 C ATOM 242 O ILE A 14 9.801 -8.194 17.188 1.00 25.00 O ATOM 243 CB ILE A 14 8.944 -6.049 14.867 1.00 25.00 C ATOM 244 CG1 ILE A 14 8.617 -4.573 14.551 1.00 25.00 C ATOM 245 CG2 ILE A 14 7.654 -6.805 15.297 1.00 25.00 C ATOM 246 CD1 ILE A 14 7.550 -4.358 13.444 1.00 25.00 C ATOM 0 H ILE A 14 11.253 -5.111 14.570 1.00 25.00 H new ATOM 0 HA ILE A 14 9.680 -5.617 16.879 1.00 25.00 H new ATOM 0 HB ILE A 14 9.329 -6.540 13.973 1.00 25.00 H new ATOM 0 HG12 ILE A 14 8.272 -4.090 15.465 1.00 25.00 H new ATOM 0 HG13 ILE A 14 9.536 -4.069 14.251 1.00 25.00 H new ATOM 0 HG21 ILE A 14 6.911 -6.738 14.502 1.00 25.00 H new ATOM 0 HG22 ILE A 14 7.891 -7.852 15.484 1.00 25.00 H new ATOM 0 HG23 ILE A 14 7.255 -6.355 16.206 1.00 25.00 H new ATOM 0 HD11 ILE A 14 7.390 -3.290 13.295 1.00 25.00 H new ATOM 0 HD12 ILE A 14 7.896 -4.806 12.513 1.00 25.00 H new ATOM 0 HD13 ILE A 14 6.613 -4.827 13.746 1.00 25.00 H new ATOM 258 N ALA A 15 11.342 -8.116 15.568 1.00 25.00 N ATOM 259 CA ALA A 15 11.788 -9.497 15.719 1.00 25.00 C ATOM 260 C ALA A 15 12.751 -9.698 16.906 1.00 25.00 C ATOM 261 O ALA A 15 13.307 -10.789 17.071 1.00 25.00 O ATOM 262 CB ALA A 15 12.461 -9.953 14.415 1.00 25.00 C ATOM 0 H ALA A 15 11.838 -7.603 14.839 1.00 25.00 H new ATOM 0 HA ALA A 15 10.906 -10.102 15.931 1.00 25.00 H new ATOM 0 HB1 ALA A 15 12.797 -10.985 14.520 1.00 25.00 H new ATOM 0 HB2 ALA A 15 11.747 -9.886 13.594 1.00 25.00 H new ATOM 0 HB3 ALA A 15 13.317 -9.312 14.204 1.00 25.00 H new ATOM 268 N LYS A 16 13.006 -8.614 17.672 1.00 25.00 N ATOM 269 CA LYS A 16 13.959 -8.578 18.826 1.00 25.00 C ATOM 270 C LYS A 16 13.306 -8.228 20.172 1.00 25.00 C ATOM 271 O LYS A 16 13.533 -8.867 21.176 1.00 25.00 O ATOM 272 CB LYS A 16 15.156 -7.626 18.549 1.00 25.00 C ATOM 273 CG LYS A 16 16.192 -8.270 17.591 1.00 25.00 C ATOM 274 CD LYS A 16 17.377 -7.312 17.332 1.00 25.00 C ATOM 275 CE LYS A 16 18.454 -8.003 16.479 1.00 25.00 C ATOM 276 NZ LYS A 16 19.665 -7.107 16.415 1.00 25.00 N ATOM 0 H LYS A 16 12.550 -7.716 17.510 1.00 25.00 H new ATOM 0 HA LYS A 16 14.324 -9.601 18.917 1.00 25.00 H new ATOM 0 HB2 LYS A 16 14.788 -6.696 18.115 1.00 25.00 H new ATOM 0 HB3 LYS A 16 15.642 -7.369 19.490 1.00 25.00 H new ATOM 0 HG2 LYS A 16 16.560 -9.202 18.021 1.00 25.00 H new ATOM 0 HG3 LYS A 16 15.711 -8.523 16.646 1.00 25.00 H new ATOM 0 HD2 LYS A 16 17.023 -6.415 16.824 1.00 25.00 H new ATOM 0 HD3 LYS A 16 17.807 -6.992 18.281 1.00 25.00 H new ATOM 0 HE2 LYS A 16 18.719 -8.967 16.913 1.00 25.00 H new ATOM 0 HE3 LYS A 16 18.075 -8.198 15.476 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 20.403 -7.562 15.841 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 19.402 -6.198 15.984 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 20.027 -6.943 17.376 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 12.492 -7.064 20.191 1.00 25.00 N