USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 147 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 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 55:sc= 0.774 USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.0323 (180deg=-0.293) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= -0.365 (180deg=-1.65!) USER MOD Single : A 65 MET CE :methyl -117:sc= -1.89 (180deg=-5.7!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= -0.306 (180deg=-0.34) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 55 1.857 14.247 -9.771 1.00 0.00 N ATOM 2 CA GLY A 55 1.181 12.923 -9.692 1.00 0.00 C ATOM 3 C GLY A 55 2.164 11.767 -9.700 1.00 0.00 C ATOM 4 O GLY A 55 2.430 11.185 -10.752 1.00 0.00 O ATOM 0 HA2 GLY A 55 0.581 12.879 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.495 12.818 -10.533 1.00 0.00 H new ATOM 10 N PRO A 56 2.724 11.409 -8.533 1.00 0.00 N ATOM 11 CA PRO A 56 3.680 10.318 -8.414 1.00 0.00 C ATOM 12 C PRO A 56 3.003 8.988 -8.108 1.00 0.00 C ATOM 13 O PRO A 56 3.105 8.033 -8.879 1.00 0.00 O ATOM 14 CB PRO A 56 4.543 10.768 -7.237 1.00 0.00 C ATOM 15 CG PRO A 56 3.634 11.585 -6.370 1.00 0.00 C ATOM 16 CD PRO A 56 2.471 12.040 -7.228 1.00 0.00 C ATOM 0 HA PRO A 56 4.235 10.141 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.942 9.912 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.396 11.356 -7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.279 10.995 -5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.166 12.443 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.517 11.721 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.436 13.126 -7.310 1.00 0.00 H new ATOM 24 N GLU A 57 2.308 8.942 -6.978 1.00 0.00 N ATOM 25 CA GLU A 57 1.599 7.748 -6.541 1.00 0.00 C ATOM 26 C GLU A 57 2.427 6.485 -6.768 1.00 0.00 C ATOM 27 O GLU A 57 1.883 5.414 -7.039 1.00 0.00 O ATOM 28 CB GLU A 57 0.259 7.640 -7.269 1.00 0.00 C ATOM 29 CG GLU A 57 -0.824 6.953 -6.452 1.00 0.00 C ATOM 30 CD GLU A 57 -0.966 5.483 -6.792 1.00 0.00 C ATOM 31 OE1 GLU A 57 -0.741 5.120 -7.966 1.00 0.00 O ATOM 32 OE2 GLU A 57 -1.302 4.693 -5.885 1.00 0.00 O ATOM 0 H GLU A 57 2.221 9.732 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 57 1.422 7.838 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.080 8.640 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.404 7.091 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.595 7.056 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.776 7.455 -6.622 1.00 0.00 H new ATOM 39 N ALA A 58 3.744 6.619 -6.656 1.00 0.00 N ATOM 40 CA ALA A 58 4.646 5.490 -6.849 1.00 0.00 C ATOM 41 C ALA A 58 4.871 4.738 -5.542 1.00 0.00 C ATOM 42 O ALA A 58 4.493 3.573 -5.412 1.00 0.00 O ATOM 43 CB ALA A 58 5.973 5.967 -7.420 1.00 0.00 C ATOM 0 H ALA A 58 4.210 7.498 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 58 4.183 4.804 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.637 5.114 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.802 6.454 -8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.432 6.675 -6.731 1.00 0.00 H new ATOM 49 N SER A 59 5.488 5.410 -4.576 1.00 0.00 N ATOM 50 CA SER A 59 5.763 4.805 -3.278 1.00 0.00 C ATOM 51 C SER A 59 4.467 4.424 -2.570 1.00 0.00 C ATOM 52 O SER A 59 4.422 3.451 -1.817 1.00 0.00 O ATOM 53 CB SER A 59 6.572 5.765 -2.405 1.00 0.00 C ATOM 54 OG SER A 59 7.315 5.062 -1.425 1.00 0.00 O ATOM 0 H SER A 59 5.807 6.374 -4.668 1.00 0.00 H new ATOM 0 HA SER A 59 6.345 3.899 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.249 6.347 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.900 6.472 -1.918 1.00 0.00 H new ATOM 0 HG SER A 59 7.824 5.699 -0.881 1.00 0.00 H new ATOM 60 N ALA A 60 3.415 5.197 -2.817 1.00 0.00 N ATOM 61 CA ALA A 60 2.117 4.940 -2.203 1.00 0.00 C ATOM 62 C ALA A 60 1.553 3.598 -2.653 1.00 0.00 C ATOM 63 O ALA A 60 1.060 2.816 -1.840 1.00 0.00 O ATOM 64 CB ALA A 60 1.145 6.062 -2.536 1.00 0.00 C ATOM 0 H ALA A 60 3.435 6.006 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 60 2.255 4.902 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.180 5.857 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.537 7.007 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.021 6.127 -3.617 1.00 0.00 H new ATOM 70 N PHE A 61 1.628 3.335 -3.954 1.00 0.00 N ATOM 71 CA PHE A 61 1.124 2.086 -4.511 1.00 0.00 C ATOM 72 C PHE A 61 1.851 0.891 -3.908 1.00 0.00 C ATOM 73 O PHE A 61 1.272 -0.183 -3.745 1.00 0.00 O ATOM 74 CB PHE A 61 1.282 2.080 -6.031 1.00 0.00 C ATOM 75 CG PHE A 61 0.734 0.845 -6.691 1.00 0.00 C ATOM 76 CD1 PHE A 61 -0.457 0.282 -6.260 1.00 0.00 C ATOM 77 CD2 PHE A 61 1.410 0.249 -7.743 1.00 0.00 C ATOM 78 CE1 PHE A 61 -0.963 -0.853 -6.866 1.00 0.00 C ATOM 79 CE2 PHE A 61 0.910 -0.886 -8.353 1.00 0.00 C ATOM 80 CZ PHE A 61 -0.278 -1.437 -7.914 1.00 0.00 C ATOM 0 H PHE A 61 2.033 3.970 -4.641 1.00 0.00 H new ATOM 0 HA PHE A 61 0.065 2.008 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.779 2.955 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.339 2.174 -6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.996 0.735 -5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.339 0.676 -8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.892 -1.282 -6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.447 -1.341 -9.172 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.671 -2.323 -8.390 1.00 0.00 H new ATOM 90 N THR A 62 3.119 1.089 -3.569 1.00 0.00 N ATOM 91 CA THR A 62 3.922 0.030 -2.972 1.00 0.00 C ATOM 92 C THR A 62 3.676 -0.059 -1.466 1.00 0.00 C ATOM 93 O THR A 62 4.331 -0.832 -0.768 1.00 0.00 O ATOM 94 CB THR A 62 5.407 0.272 -3.244 1.00 0.00 C ATOM 95 OG1 THR A 62 5.689 1.660 -3.289 1.00 0.00 O ATOM 96 CG2 THR A 62 5.883 -0.335 -4.546 1.00 0.00 C ATOM 0 H THR A 62 3.613 1.972 -3.697 1.00 0.00 H new ATOM 0 HA THR A 62 3.626 -0.915 -3.427 1.00 0.00 H new ATOM 0 HB THR A 62 5.934 -0.212 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.383 2.083 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.945 -0.127 -4.678 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.725 -1.413 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.323 0.097 -5.375 1.00 0.00 H new ATOM 104 N LYS A 63 2.727 0.735 -0.970 1.00 0.00 N ATOM 105 CA LYS A 63 2.401 0.737 0.452 1.00 0.00 C ATOM 106 C LYS A 63 0.954 0.311 0.676 1.00 0.00 C ATOM 107 O LYS A 63 0.680 -0.605 1.452 1.00 0.00 O ATOM 108 CB LYS A 63 2.637 2.127 1.048 1.00 0.00 C ATOM 109 CG LYS A 63 3.582 2.125 2.238 1.00 0.00 C ATOM 110 CD LYS A 63 5.034 2.214 1.797 1.00 0.00 C ATOM 111 CE LYS A 63 5.674 0.839 1.705 1.00 0.00 C ATOM 112 NZ LYS A 63 5.842 0.213 3.046 1.00 0.00 N ATOM 0 H LYS A 63 2.173 1.382 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 63 3.053 0.021 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.041 2.781 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.680 2.549 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.347 2.965 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.433 1.216 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.091 2.708 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.592 2.830 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.059 0.194 1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.646 0.923 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.608 -0.489 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.079 0.946 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.956 -0.256 3.324 1.00 0.00 H new ATOM 126 N LYS A 64 0.032 0.981 -0.009 1.00 0.00 N ATOM 127 CA LYS A 64 -1.384 0.674 0.112 1.00 0.00 C ATOM 128 C LYS A 64 -1.656 -0.787 -0.230 1.00 0.00 C ATOM 129 O LYS A 64 -2.471 -1.444 0.417 1.00 0.00 O ATOM 130 CB LYS A 64 -2.194 1.589 -0.807 1.00 0.00 C ATOM 131 CG LYS A 64 -1.930 1.357 -2.286 1.00 0.00 C ATOM 132 CD LYS A 64 -2.808 2.244 -3.153 1.00 0.00 C ATOM 133 CE LYS A 64 -2.503 3.717 -2.933 1.00 0.00 C ATOM 134 NZ LYS A 64 -3.355 4.307 -1.863 1.00 0.00 N ATOM 0 H LYS A 64 0.244 1.742 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.686 0.843 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.256 1.441 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.966 2.627 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.881 1.556 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.114 0.311 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.656 1.993 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.857 2.051 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.453 3.834 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.659 4.263 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.842 5.148 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.059 3.607 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.759 4.579 -1.055 1.00 0.00 H new ATOM 148 N MET A 65 -0.964 -1.291 -1.247 1.00 0.00 N ATOM 149 CA MET A 65 -1.128 -2.678 -1.667 1.00 0.00 C ATOM 150 C MET A 65 -0.773 -3.624 -0.527 1.00 0.00 C ATOM 151 O MET A 65 -1.544 -4.521 -0.188 1.00 0.00 O ATOM 152 CB MET A 65 -0.254 -2.971 -2.885 1.00 0.00 C ATOM 153 CG MET A 65 -0.359 -4.404 -3.382 1.00 0.00 C ATOM 154 SD MET A 65 0.862 -5.492 -2.623 1.00 0.00 S ATOM 155 CE MET A 65 -0.197 -6.568 -1.659 1.00 0.00 C ATOM 0 H MET A 65 -0.286 -0.761 -1.794 1.00 0.00 H new ATOM 0 HA MET A 65 -2.172 -2.835 -1.939 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.533 -2.294 -3.693 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.785 -2.758 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.359 -4.785 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.231 -4.420 -4.464 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.030 -6.448 -0.600 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.240 -6.308 -1.839 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.026 -7.604 -1.951 1.00 0.00 H new ATOM 165 N VAL A 66 0.394 -3.406 0.071 1.00 0.00 N ATOM 166 CA VAL A 66 0.841 -4.232 1.188 1.00 0.00 C ATOM 167 C VAL A 66 -0.164 -4.147 2.327 1.00 0.00 C ATOM 168 O VAL A 66 -0.383 -5.114 3.058 1.00 0.00 O ATOM 169 CB VAL A 66 2.226 -3.797 1.713 1.00 0.00 C ATOM 170 CG1 VAL A 66 2.879 -4.929 2.491 1.00 0.00 C ATOM 171 CG2 VAL A 66 3.122 -3.342 0.571 1.00 0.00 C ATOM 0 H VAL A 66 1.045 -2.668 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 66 0.920 -5.256 0.822 1.00 0.00 H new ATOM 0 HB VAL A 66 2.085 -2.952 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.855 -4.606 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.248 -5.200 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.003 -5.794 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.092 -3.041 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.257 -4.162 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.660 -2.497 0.061 1.00 0.00 H new ATOM 181 N GLU A 67 -0.779 -2.977 2.460 1.00 0.00 N ATOM 182 CA GLU A 67 -1.774 -2.741 3.494 1.00 0.00 C ATOM 183 C GLU A 67 -3.122 -3.330 3.087 1.00 0.00 C ATOM 184 O GLU A 67 -3.941 -3.674 3.939 1.00 0.00 O ATOM 185 CB GLU A 67 -1.912 -1.238 3.749 1.00 0.00 C ATOM 186 CG GLU A 67 -2.999 -0.883 4.752 1.00 0.00 C ATOM 187 CD GLU A 67 -2.798 0.488 5.366 1.00 0.00 C ATOM 188 OE1 GLU A 67 -1.652 0.984 5.351 1.00 0.00 O ATOM 189 OE2 GLU A 67 -3.788 1.067 5.862 1.00 0.00 O ATOM 0 H GLU A 67 -0.602 -2.173 1.858 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.447 -3.231 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.959 -0.851 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.124 -0.737 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.970 -0.917 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.017 -1.633 5.543 1.00 0.00 H new ATOM 196 N ASN A 68 -3.346 -3.444 1.779 1.00 0.00 N ATOM 197 CA ASN A 68 -4.595 -3.991 1.264 1.00 0.00 C ATOM 198 C ASN A 68 -4.823 -5.411 1.776 1.00 0.00 C ATOM 199 O ASN A 68 -5.963 -5.848 1.934 1.00 0.00 O ATOM 200 CB ASN A 68 -4.586 -3.981 -0.267 1.00 0.00 C ATOM 201 CG ASN A 68 -5.853 -3.384 -0.848 1.00 0.00 C ATOM 202 OD1 ASN A 68 -6.825 -4.093 -1.107 1.00 0.00 O ATOM 203 ND2 ASN A 68 -5.847 -2.073 -1.057 1.00 0.00 N ATOM 0 H ASN A 68 -2.679 -3.165 1.060 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.412 -3.363 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.725 -3.413 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.466 -5.000 -0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.671 -1.615 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.019 -1.524 -0.827 1.00 0.00 H new ATOM 210 N ALA A 69 -3.732 -6.126 2.033 1.00 0.00 N ATOM 211 CA ALA A 69 -3.816 -7.495 2.526 1.00 0.00 C ATOM 212 C ALA A 69 -2.913 -7.702 3.737 1.00 0.00 C ATOM 213 O ALA A 69 -2.400 -8.798 3.961 1.00 0.00 O ATOM 214 CB ALA A 69 -3.454 -8.477 1.422 1.00 0.00 C ATOM 0 H ALA A 69 -2.781 -5.780 1.908 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.844 -7.678 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.521 -9.495 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.145 -8.357 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.437 -8.283 1.082 1.00 0.00 H new ATOM 220 N LYS A 70 -2.724 -6.642 4.516 1.00 0.00 N ATOM 221 CA LYS A 70 -1.883 -6.710 5.707 1.00 0.00 C ATOM 222 C LYS A 70 -2.640 -7.318 6.888 1.00 0.00 C ATOM 223 O LYS A 70 -2.073 -7.511 7.963 1.00 0.00 O ATOM 224 CB LYS A 70 -1.378 -5.314 6.078 1.00 0.00 C ATOM 225 CG LYS A 70 -0.475 -5.298 7.300 1.00 0.00 C ATOM 226 CD LYS A 70 0.501 -4.133 7.257 1.00 0.00 C ATOM 227 CE LYS A 70 -0.011 -2.948 8.058 1.00 0.00 C ATOM 228 NZ LYS A 70 -0.037 -3.234 9.519 1.00 0.00 N ATOM 0 H LYS A 70 -3.141 -5.727 4.345 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.033 -7.353 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.835 -4.896 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.234 -4.664 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.083 -5.231 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.078 -6.235 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.466 -4.451 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.664 -3.831 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.623 -2.081 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.015 -2.689 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.804 -2.691 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.198 -4.250 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.873 -2.961 9.942 1.00 0.00 H new ATOM 242 N LYS A 71 -3.922 -7.618 6.685 1.00 0.00 N ATOM 243 CA LYS A 71 -4.744 -8.202 7.738 1.00 0.00 C ATOM 244 C LYS A 71 -4.837 -7.265 8.938 1.00 0.00 C ATOM 245 O LYS A 71 -4.850 -7.708 10.086 1.00 0.00 O ATOM 246 CB LYS A 71 -4.173 -9.553 8.173 1.00 0.00 C ATOM 247 CG LYS A 71 -4.301 -10.637 7.115 1.00 0.00 C ATOM 248 CD LYS A 71 -3.088 -10.667 6.199 1.00 0.00 C ATOM 249 CE LYS A 71 -1.935 -11.433 6.826 1.00 0.00 C ATOM 250 NZ LYS A 71 -0.913 -11.823 5.816 1.00 0.00 N ATOM 0 H LYS A 71 -4.411 -7.466 5.803 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.747 -8.353 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.121 -9.428 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.684 -9.879 9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.417 -11.607 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.201 -10.466 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.359 -11.129 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.772 -9.647 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.468 -10.820 7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.318 -12.327 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.144 -12.343 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.352 -12.429 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.528 -10.969 5.364 1.00 0.00 H new ATOM 264 N ILE A 72 -4.901 -5.966 8.663 1.00 0.00 N ATOM 265 CA ILE A 72 -4.993 -4.965 9.718 1.00 0.00 C ATOM 266 C ILE A 72 -6.302 -5.097 10.489 1.00 0.00 C ATOM 267 O ILE A 72 -6.301 -4.822 11.707 1.00 0.00 O ATOM 268 CB ILE A 72 -4.887 -3.537 9.150 1.00 0.00 C ATOM 269 CG1 ILE A 72 -5.870 -3.350 7.994 1.00 0.00 C ATOM 270 CG2 ILE A 72 -3.464 -3.253 8.694 1.00 0.00 C ATOM 271 CD1 ILE A 72 -6.091 -1.902 7.617 1.00 0.00 C ATOM 272 OXT ILE A 72 -7.318 -5.473 9.867 1.00 0.00 O ATOM 0 H ILE A 72 -4.891 -5.583 7.718 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.156 -5.142 10.394 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.144 -2.829 9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.501 -3.892 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.827 -3.796 8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.405 -2.240 8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.784 -3.350 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.181 -3.965 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.799 -1.845 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.490 -1.360 8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.144 -1.456 7.314 1.00 0.00 H new TER 284 ILE A 72