USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=3 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 -31:sc= 0.647 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -120:sc= -2.83 (180deg=-6.24!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 55 2.081 13.477 -9.987 1.00 0.00 N ATOM 2 CA GLY A 55 1.608 12.104 -10.314 1.00 0.00 C ATOM 3 C GLY A 55 2.660 11.046 -10.037 1.00 0.00 C ATOM 4 O GLY A 55 3.258 10.506 -10.967 1.00 0.00 O ATOM 0 HA2 GLY A 55 0.713 11.883 -9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.323 12.062 -11.365 1.00 0.00 H new ATOM 10 N PRO A 56 2.910 10.727 -8.756 1.00 0.00 N ATOM 11 CA PRO A 56 3.895 9.730 -8.365 1.00 0.00 C ATOM 12 C PRO A 56 3.289 8.337 -8.240 1.00 0.00 C ATOM 13 O PRO A 56 3.688 7.407 -8.940 1.00 0.00 O ATOM 14 CB PRO A 56 4.356 10.243 -7.003 1.00 0.00 C ATOM 15 CG PRO A 56 3.171 10.960 -6.429 1.00 0.00 C ATOM 16 CD PRO A 56 2.251 11.314 -7.579 1.00 0.00 C ATOM 0 HA PRO A 56 4.696 9.619 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.669 9.421 -6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.210 10.913 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.655 10.329 -5.706 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.487 11.859 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.253 10.901 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.138 12.393 -7.682 1.00 0.00 H new ATOM 24 N GLU A 57 2.318 8.212 -7.342 1.00 0.00 N ATOM 25 CA GLU A 57 1.632 6.951 -7.101 1.00 0.00 C ATOM 26 C GLU A 57 2.606 5.774 -7.076 1.00 0.00 C ATOM 27 O GLU A 57 2.260 4.661 -7.471 1.00 0.00 O ATOM 28 CB GLU A 57 0.559 6.726 -8.166 1.00 0.00 C ATOM 29 CG GLU A 57 -0.636 5.930 -7.669 1.00 0.00 C ATOM 30 CD GLU A 57 -1.946 6.418 -8.256 1.00 0.00 C ATOM 31 OE1 GLU A 57 -2.170 6.207 -9.467 1.00 0.00 O ATOM 32 OE2 GLU A 57 -2.748 7.012 -7.505 1.00 0.00 O ATOM 0 H GLU A 57 1.986 8.982 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 57 1.160 7.010 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.214 7.693 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.004 6.205 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.498 4.879 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.683 5.993 -6.582 1.00 0.00 H new ATOM 39 N ALA A 58 3.823 6.030 -6.609 1.00 0.00 N ATOM 40 CA ALA A 58 4.846 4.994 -6.532 1.00 0.00 C ATOM 41 C ALA A 58 5.092 4.572 -5.088 1.00 0.00 C ATOM 42 O ALA A 58 4.755 3.456 -4.691 1.00 0.00 O ATOM 43 CB ALA A 58 6.139 5.481 -7.169 1.00 0.00 C ATOM 0 H ALA A 58 4.125 6.946 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 58 4.488 4.123 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.894 4.698 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.959 5.726 -8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.492 6.369 -6.644 1.00 0.00 H new ATOM 49 N SER A 59 5.682 5.470 -4.307 1.00 0.00 N ATOM 50 CA SER A 59 5.973 5.190 -2.905 1.00 0.00 C ATOM 51 C SER A 59 4.693 4.892 -2.132 1.00 0.00 C ATOM 52 O SER A 59 4.699 4.113 -1.179 1.00 0.00 O ATOM 53 CB SER A 59 6.703 6.374 -2.268 1.00 0.00 C ATOM 54 OG SER A 59 8.061 6.413 -2.671 1.00 0.00 O ATOM 0 H SER A 59 5.968 6.398 -4.620 1.00 0.00 H new ATOM 0 HA SER A 59 6.615 4.310 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.210 7.304 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.645 6.300 -1.182 1.00 0.00 H new ATOM 0 HG SER A 59 8.505 7.180 -2.252 1.00 0.00 H new ATOM 60 N ALA A 60 3.596 5.516 -2.550 1.00 0.00 N ATOM 61 CA ALA A 60 2.308 5.317 -1.897 1.00 0.00 C ATOM 62 C ALA A 60 1.661 4.012 -2.347 1.00 0.00 C ATOM 63 O ALA A 60 1.170 3.236 -1.527 1.00 0.00 O ATOM 64 CB ALA A 60 1.386 6.492 -2.182 1.00 0.00 C ATOM 0 H ALA A 60 3.574 6.163 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 60 2.478 5.255 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.428 6.331 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.838 7.409 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.230 6.580 -3.257 1.00 0.00 H new ATOM 70 N PHE A 61 1.663 3.775 -3.655 1.00 0.00 N ATOM 71 CA PHE A 61 1.074 2.562 -4.214 1.00 0.00 C ATOM 72 C PHE A 61 1.726 1.320 -3.622 1.00 0.00 C ATOM 73 O PHE A 61 1.082 0.282 -3.467 1.00 0.00 O ATOM 74 CB PHE A 61 1.219 2.553 -5.735 1.00 0.00 C ATOM 75 CG PHE A 61 0.582 1.363 -6.396 1.00 0.00 C ATOM 76 CD1 PHE A 61 -0.631 0.867 -5.944 1.00 0.00 C ATOM 77 CD2 PHE A 61 1.198 0.740 -7.470 1.00 0.00 C ATOM 78 CE1 PHE A 61 -1.218 -0.227 -6.551 1.00 0.00 C ATOM 79 CE2 PHE A 61 0.616 -0.354 -8.081 1.00 0.00 C ATOM 80 CZ PHE A 61 -0.594 -0.839 -7.621 1.00 0.00 C ATOM 0 H PHE A 61 2.066 4.406 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 61 0.014 2.551 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.775 3.463 -6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.278 2.575 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.123 1.341 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.144 1.114 -7.833 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.164 -0.603 -6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.106 -0.830 -8.917 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.050 -1.694 -8.097 1.00 0.00 H new ATOM 90 N THR A 62 3.004 1.435 -3.282 1.00 0.00 N ATOM 91 CA THR A 62 3.740 0.323 -2.695 1.00 0.00 C ATOM 92 C THR A 62 3.414 0.175 -1.209 1.00 0.00 C ATOM 93 O THR A 62 3.942 -0.709 -0.536 1.00 0.00 O ATOM 94 CB THR A 62 5.244 0.524 -2.882 1.00 0.00 C ATOM 95 OG1 THR A 62 5.964 -0.596 -2.398 1.00 0.00 O ATOM 96 CG2 THR A 62 5.776 1.752 -2.174 1.00 0.00 C ATOM 0 H THR A 62 3.552 2.287 -3.403 1.00 0.00 H new ATOM 0 HA THR A 62 3.436 -0.590 -3.207 1.00 0.00 H new ATOM 0 HB THR A 62 5.387 0.652 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.475 -1.001 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.849 1.836 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.276 2.640 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.587 1.666 -1.104 1.00 0.00 H new ATOM 104 N LYS A 63 2.541 1.045 -0.701 1.00 0.00 N ATOM 105 CA LYS A 63 2.151 1.003 0.703 1.00 0.00 C ATOM 106 C LYS A 63 0.669 0.675 0.846 1.00 0.00 C ATOM 107 O LYS A 63 0.292 -0.225 1.596 1.00 0.00 O ATOM 108 CB LYS A 63 2.458 2.341 1.379 1.00 0.00 C ATOM 109 CG LYS A 63 3.159 2.198 2.720 1.00 0.00 C ATOM 110 CD LYS A 63 2.170 1.907 3.838 1.00 0.00 C ATOM 111 CE LYS A 63 1.945 0.413 4.008 1.00 0.00 C ATOM 112 NZ LYS A 63 2.924 -0.192 4.953 1.00 0.00 N ATOM 0 H LYS A 63 2.093 1.785 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 63 2.727 0.217 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.081 2.940 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.526 2.889 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.893 1.394 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.705 3.114 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.541 2.329 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.221 2.397 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.933 0.237 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.025 -0.079 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.737 -1.211 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.889 -0.047 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.831 0.259 5.885 1.00 0.00 H new ATOM 126 N LYS A 64 -0.169 1.412 0.121 1.00 0.00 N ATOM 127 CA LYS A 64 -1.608 1.200 0.166 1.00 0.00 C ATOM 128 C LYS A 64 -1.959 -0.230 -0.229 1.00 0.00 C ATOM 129 O LYS A 64 -2.893 -0.821 0.310 1.00 0.00 O ATOM 130 CB LYS A 64 -2.316 2.190 -0.760 1.00 0.00 C ATOM 131 CG LYS A 64 -1.640 2.355 -2.112 1.00 0.00 C ATOM 132 CD LYS A 64 -2.659 2.538 -3.226 1.00 0.00 C ATOM 133 CE LYS A 64 -2.257 3.659 -4.172 1.00 0.00 C ATOM 134 NZ LYS A 64 -3.431 4.459 -4.617 1.00 0.00 N ATOM 0 H LYS A 64 0.127 2.161 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.946 1.366 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.342 1.858 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.366 3.161 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.972 3.216 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.024 1.480 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.759 1.608 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.636 2.758 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.540 4.313 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.755 3.237 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.114 5.212 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.104 3.841 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.896 4.883 -3.789 1.00 0.00 H new ATOM 148 N MET A 65 -1.199 -0.784 -1.168 1.00 0.00 N ATOM 149 CA MET A 65 -1.428 -2.148 -1.626 1.00 0.00 C ATOM 150 C MET A 65 -1.201 -3.133 -0.487 1.00 0.00 C ATOM 151 O MET A 65 -2.056 -3.969 -0.195 1.00 0.00 O ATOM 152 CB MET A 65 -0.507 -2.479 -2.799 1.00 0.00 C ATOM 153 CG MET A 65 -0.688 -3.888 -3.338 1.00 0.00 C ATOM 154 SD MET A 65 0.446 -5.071 -2.584 1.00 0.00 S ATOM 155 CE MET A 65 -0.688 -6.049 -1.602 1.00 0.00 C ATOM 0 H MET A 65 -0.421 -0.310 -1.626 1.00 0.00 H new ATOM 0 HA MET A 65 -2.462 -2.231 -1.961 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.687 -1.766 -3.603 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.529 -2.350 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.714 -4.211 -3.162 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.536 -3.882 -4.417 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.408 -5.984 -0.551 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.702 -5.670 -1.731 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.646 -7.089 -1.925 1.00 0.00 H new ATOM 165 N VAL A 66 -0.049 -3.015 0.166 1.00 0.00 N ATOM 166 CA VAL A 66 0.279 -3.884 1.290 1.00 0.00 C ATOM 167 C VAL A 66 -0.762 -3.724 2.387 1.00 0.00 C ATOM 168 O VAL A 66 -1.093 -4.674 3.096 1.00 0.00 O ATOM 169 CB VAL A 66 1.673 -3.574 1.876 1.00 0.00 C ATOM 170 CG1 VAL A 66 2.197 -4.764 2.663 1.00 0.00 C ATOM 171 CG2 VAL A 66 2.651 -3.182 0.778 1.00 0.00 C ATOM 0 H VAL A 66 0.670 -2.329 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 66 0.286 -4.908 0.915 1.00 0.00 H new ATOM 0 HB VAL A 66 1.575 -2.728 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.181 -4.527 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.512 -4.990 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.275 -5.630 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.625 -2.969 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.746 -4.002 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.283 -2.294 0.263 1.00 0.00 H new ATOM 181 N GLU A 67 -1.280 -2.506 2.507 1.00 0.00 N ATOM 182 CA GLU A 67 -2.295 -2.194 3.500 1.00 0.00 C ATOM 183 C GLU A 67 -3.668 -2.671 3.033 1.00 0.00 C ATOM 184 O GLU A 67 -4.546 -2.955 3.847 1.00 0.00 O ATOM 185 CB GLU A 67 -2.322 -0.686 3.761 1.00 0.00 C ATOM 186 CG GLU A 67 -3.416 -0.249 4.723 1.00 0.00 C ATOM 187 CD GLU A 67 -3.380 1.239 5.008 1.00 0.00 C ATOM 188 OE1 GLU A 67 -3.012 2.009 4.096 1.00 0.00 O ATOM 189 OE2 GLU A 67 -3.721 1.635 6.142 1.00 0.00 O ATOM 0 H GLU A 67 -1.009 -1.715 1.923 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.047 -2.713 4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.356 -0.379 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.455 -0.165 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.388 -0.512 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.312 -0.797 5.659 1.00 0.00 H new ATOM 196 N ASN A 68 -3.846 -2.757 1.716 1.00 0.00 N ATOM 197 CA ASN A 68 -5.113 -3.199 1.144 1.00 0.00 C ATOM 198 C ASN A 68 -5.484 -4.590 1.651 1.00 0.00 C ATOM 199 O ASN A 68 -6.663 -4.924 1.769 1.00 0.00 O ATOM 200 CB ASN A 68 -5.032 -3.205 -0.384 1.00 0.00 C ATOM 201 CG ASN A 68 -6.302 -2.690 -1.032 1.00 0.00 C ATOM 202 OD1 ASN A 68 -7.256 -3.440 -1.239 1.00 0.00 O ATOM 203 ND2 ASN A 68 -6.320 -1.402 -1.357 1.00 0.00 N ATOM 0 H ASN A 68 -3.130 -2.527 1.028 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.888 -2.500 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.190 -2.591 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.836 -4.220 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.147 -0.998 -1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.507 -0.817 -1.167 1.00 0.00 H new ATOM 210 N ALA A 69 -4.471 -5.396 1.951 1.00 0.00 N ATOM 211 CA ALA A 69 -4.692 -6.749 2.446 1.00 0.00 C ATOM 212 C ALA A 69 -3.522 -7.217 3.305 1.00 0.00 C ATOM 213 O ALA A 69 -3.110 -8.375 3.233 1.00 0.00 O ATOM 214 CB ALA A 69 -4.914 -7.706 1.285 1.00 0.00 C ATOM 0 H ALA A 69 -3.489 -5.135 1.860 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.586 -6.740 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.078 -8.713 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.787 -7.389 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.037 -7.703 0.638 1.00 0.00 H new ATOM 220 N LYS A 70 -2.992 -6.309 4.118 1.00 0.00 N ATOM 221 CA LYS A 70 -1.870 -6.630 4.994 1.00 0.00 C ATOM 222 C LYS A 70 -2.244 -7.727 5.988 1.00 0.00 C ATOM 223 O LYS A 70 -1.372 -8.377 6.565 1.00 0.00 O ATOM 224 CB LYS A 70 -1.411 -5.379 5.746 1.00 0.00 C ATOM 225 CG LYS A 70 0.099 -5.265 5.872 1.00 0.00 C ATOM 226 CD LYS A 70 0.593 -5.839 7.190 1.00 0.00 C ATOM 227 CE LYS A 70 0.795 -4.750 8.231 1.00 0.00 C ATOM 228 NZ LYS A 70 2.200 -4.259 8.256 1.00 0.00 N ATOM 0 H LYS A 70 -3.321 -5.346 4.189 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.052 -6.996 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.792 -4.496 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.851 -5.383 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.575 -5.790 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.393 -4.218 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.125 -6.570 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.532 -6.368 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.123 -3.918 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.527 -5.135 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.296 -3.518 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.839 -5.048 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.448 -3.868 7.325 1.00 0.00 H new ATOM 242 N LYS A 71 -3.546 -7.928 6.187 1.00 0.00 N ATOM 243 CA LYS A 71 -4.032 -8.945 7.114 1.00 0.00 C ATOM 244 C LYS A 71 -3.724 -8.556 8.556 1.00 0.00 C ATOM 245 O LYS A 71 -3.389 -9.405 9.382 1.00 0.00 O ATOM 246 CB LYS A 71 -3.408 -10.307 6.795 1.00 0.00 C ATOM 247 CG LYS A 71 -3.381 -10.632 5.311 1.00 0.00 C ATOM 248 CD LYS A 71 -4.770 -10.556 4.698 1.00 0.00 C ATOM 249 CE LYS A 71 -4.985 -11.652 3.667 1.00 0.00 C ATOM 250 NZ LYS A 71 -5.343 -12.950 4.303 1.00 0.00 N ATOM 0 H LYS A 71 -4.282 -7.399 5.718 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.113 -9.017 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.389 -10.330 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.965 -11.084 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.717 -9.937 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.972 -11.631 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.521 -10.642 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.909 -9.582 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.777 -11.354 2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.079 -11.776 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.481 -13.671 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.576 -13.248 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.222 -12.839 4.848 1.00 0.00 H new ATOM 264 N ILE A 72 -3.839 -7.265 8.850 1.00 0.00 N ATOM 265 CA ILE A 72 -3.573 -6.760 10.192 1.00 0.00 C ATOM 266 C ILE A 72 -4.610 -7.271 11.186 1.00 0.00 C ATOM 267 O ILE A 72 -5.791 -7.396 10.797 1.00 0.00 O ATOM 268 CB ILE A 72 -3.565 -5.220 10.222 1.00 0.00 C ATOM 269 CG1 ILE A 72 -4.819 -4.668 9.542 1.00 0.00 C ATOM 270 CG2 ILE A 72 -2.311 -4.684 9.549 1.00 0.00 C ATOM 271 CD1 ILE A 72 -5.092 -3.215 9.867 1.00 0.00 C ATOM 272 OXT ILE A 72 -4.234 -7.542 12.346 1.00 0.00 O ATOM 0 H ILE A 72 -4.115 -6.550 8.177 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.587 -7.126 10.478 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.564 -4.892 11.261 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.715 -4.777 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.679 -5.267 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.320 -3.594 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.430 -5.054 10.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.283 -5.019 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.996 -2.890 9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.228 -3.102 10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.249 -2.605 9.542 1.00 0.00 H new TER 284 ILE A 72