USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=5 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 -89:sc= 0.554 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0298 (180deg=-0.203) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -115:sc= -2.8 (180deg=-6.13!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 149:sc= 0.734 (180deg=-1.58!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 55 0.168 12.217 -9.348 1.00 0.00 N ATOM 2 CA GLY A 55 1.516 12.640 -9.819 1.00 0.00 C ATOM 3 C GLY A 55 2.552 11.540 -9.678 1.00 0.00 C ATOM 4 O GLY A 55 3.038 11.012 -10.679 1.00 0.00 O ATOM 0 HA2 GLY A 55 1.453 12.944 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.838 13.513 -9.252 1.00 0.00 H new ATOM 10 N PRO A 56 2.913 11.170 -8.438 1.00 0.00 N ATOM 11 CA PRO A 56 3.895 10.129 -8.176 1.00 0.00 C ATOM 12 C PRO A 56 3.255 8.754 -8.034 1.00 0.00 C ATOM 13 O PRO A 56 3.551 7.835 -8.798 1.00 0.00 O ATOM 14 CB PRO A 56 4.504 10.581 -6.851 1.00 0.00 C ATOM 15 CG PRO A 56 3.407 11.316 -6.142 1.00 0.00 C ATOM 16 CD PRO A 56 2.392 11.739 -7.185 1.00 0.00 C ATOM 0 HA PRO A 56 4.616 10.016 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.849 9.729 -6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.368 11.226 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.941 10.678 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.804 12.186 -5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.398 11.354 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.308 12.824 -7.244 1.00 0.00 H new ATOM 24 N GLU A 57 2.372 8.629 -7.050 1.00 0.00 N ATOM 25 CA GLU A 57 1.668 7.384 -6.781 1.00 0.00 C ATOM 26 C GLU A 57 2.597 6.176 -6.887 1.00 0.00 C ATOM 27 O GLU A 57 2.175 5.088 -7.280 1.00 0.00 O ATOM 28 CB GLU A 57 0.490 7.230 -7.743 1.00 0.00 C ATOM 29 CG GLU A 57 -0.679 6.457 -7.156 1.00 0.00 C ATOM 30 CD GLU A 57 -2.022 7.034 -7.560 1.00 0.00 C ATOM 31 OE1 GLU A 57 -2.073 7.765 -8.571 1.00 0.00 O ATOM 32 OE2 GLU A 57 -3.022 6.754 -6.866 1.00 0.00 O ATOM 0 H GLU A 57 2.125 9.389 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 57 1.296 7.426 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.146 8.220 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.833 6.724 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.622 5.418 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.600 6.457 -6.069 1.00 0.00 H new ATOM 39 N ALA A 58 3.862 6.377 -6.534 1.00 0.00 N ATOM 40 CA ALA A 58 4.850 5.306 -6.589 1.00 0.00 C ATOM 41 C ALA A 58 5.042 4.665 -5.219 1.00 0.00 C ATOM 42 O ALA A 58 4.609 3.537 -4.985 1.00 0.00 O ATOM 43 CB ALA A 58 6.175 5.838 -7.115 1.00 0.00 C ATOM 0 H ALA A 58 4.227 7.271 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 58 4.482 4.540 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.904 5.028 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.033 6.243 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.539 6.625 -6.454 1.00 0.00 H new ATOM 49 N SER A 59 5.693 5.392 -4.317 1.00 0.00 N ATOM 50 CA SER A 59 5.942 4.894 -2.969 1.00 0.00 C ATOM 51 C SER A 59 4.631 4.599 -2.247 1.00 0.00 C ATOM 52 O SER A 59 4.559 3.695 -1.414 1.00 0.00 O ATOM 53 CB SER A 59 6.759 5.910 -2.170 1.00 0.00 C ATOM 54 OG SER A 59 7.992 6.191 -2.811 1.00 0.00 O ATOM 0 H SER A 59 6.058 6.328 -4.495 1.00 0.00 H new ATOM 0 HA SER A 59 6.508 3.966 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.187 6.831 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.946 5.524 -1.168 1.00 0.00 H new ATOM 0 HG SER A 59 8.495 6.844 -2.281 1.00 0.00 H new ATOM 60 N ALA A 60 3.596 5.367 -2.573 1.00 0.00 N ATOM 61 CA ALA A 60 2.287 5.188 -1.956 1.00 0.00 C ATOM 62 C ALA A 60 1.635 3.890 -2.420 1.00 0.00 C ATOM 63 O ALA A 60 1.274 3.040 -1.605 1.00 0.00 O ATOM 64 CB ALA A 60 1.389 6.374 -2.271 1.00 0.00 C ATOM 0 H ALA A 60 3.639 6.119 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 60 2.426 5.129 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.415 6.227 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.843 7.287 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.265 6.460 -3.350 1.00 0.00 H new ATOM 70 N PHE A 61 1.486 3.743 -3.733 1.00 0.00 N ATOM 71 CA PHE A 61 0.877 2.547 -4.307 1.00 0.00 C ATOM 72 C PHE A 61 1.591 1.289 -3.830 1.00 0.00 C ATOM 73 O PHE A 61 0.978 0.231 -3.688 1.00 0.00 O ATOM 74 CB PHE A 61 0.905 2.617 -5.833 1.00 0.00 C ATOM 75 CG PHE A 61 0.245 1.445 -6.504 1.00 0.00 C ATOM 76 CD1 PHE A 61 -0.923 0.902 -5.993 1.00 0.00 C ATOM 77 CD2 PHE A 61 0.794 0.888 -7.648 1.00 0.00 C ATOM 78 CE1 PHE A 61 -1.531 -0.175 -6.610 1.00 0.00 C ATOM 79 CE2 PHE A 61 0.191 -0.189 -8.270 1.00 0.00 C ATOM 80 CZ PHE A 61 -0.973 -0.721 -7.750 1.00 0.00 C ATOM 0 H PHE A 61 1.779 4.438 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.159 2.502 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.411 3.534 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.941 2.679 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.363 1.325 -5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.704 1.300 -8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.441 -0.589 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.629 -0.614 -9.161 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.446 -1.563 -8.234 1.00 0.00 H new ATOM 90 N THR A 62 2.888 1.414 -3.576 1.00 0.00 N ATOM 91 CA THR A 62 3.683 0.288 -3.104 1.00 0.00 C ATOM 92 C THR A 62 3.479 0.065 -1.605 1.00 0.00 C ATOM 93 O THR A 62 4.083 -0.831 -1.017 1.00 0.00 O ATOM 94 CB THR A 62 5.165 0.525 -3.398 1.00 0.00 C ATOM 95 OG1 THR A 62 5.479 1.904 -3.315 1.00 0.00 O ATOM 96 CG2 THR A 62 5.588 0.039 -4.768 1.00 0.00 C ATOM 0 H THR A 62 3.411 2.283 -3.689 1.00 0.00 H new ATOM 0 HA THR A 62 3.352 -0.605 -3.634 1.00 0.00 H new ATOM 0 HB THR A 62 5.704 -0.048 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.351 2.322 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.650 0.237 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.405 -1.033 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.014 0.562 -5.533 1.00 0.00 H new ATOM 104 N LYS A 63 2.626 0.885 -0.991 1.00 0.00 N ATOM 105 CA LYS A 63 2.350 0.769 0.436 1.00 0.00 C ATOM 106 C LYS A 63 0.895 0.378 0.679 1.00 0.00 C ATOM 107 O LYS A 63 0.612 -0.567 1.415 1.00 0.00 O ATOM 108 CB LYS A 63 2.661 2.089 1.145 1.00 0.00 C ATOM 109 CG LYS A 63 3.466 1.916 2.423 1.00 0.00 C ATOM 110 CD LYS A 63 4.845 1.343 2.140 1.00 0.00 C ATOM 111 CE LYS A 63 5.272 0.361 3.219 1.00 0.00 C ATOM 112 NZ LYS A 63 4.478 -0.898 3.171 1.00 0.00 N ATOM 0 H LYS A 63 2.117 1.634 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 63 2.990 -0.014 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.211 2.737 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.725 2.595 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.567 2.879 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.930 1.256 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.840 0.842 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.571 2.154 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.330 0.128 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.157 0.825 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.002 -1.657 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.565 -0.751 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.312 -1.166 2.180 1.00 0.00 H new ATOM 126 N LYS A 64 -0.023 1.111 0.057 1.00 0.00 N ATOM 127 CA LYS A 64 -1.445 0.842 0.207 1.00 0.00 C ATOM 128 C LYS A 64 -1.778 -0.578 -0.237 1.00 0.00 C ATOM 129 O LYS A 64 -2.627 -1.241 0.358 1.00 0.00 O ATOM 130 CB LYS A 64 -2.259 1.850 -0.604 1.00 0.00 C ATOM 131 CG LYS A 64 -1.727 2.075 -2.010 1.00 0.00 C ATOM 132 CD LYS A 64 -2.803 2.628 -2.930 1.00 0.00 C ATOM 133 CE LYS A 64 -2.674 4.133 -3.098 1.00 0.00 C ATOM 134 NZ LYS A 64 -3.470 4.876 -2.082 1.00 0.00 N ATOM 0 H LYS A 64 0.195 1.897 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.703 0.941 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.291 1.504 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.274 2.802 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.885 2.767 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.350 1.135 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.733 2.145 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.787 2.389 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.625 4.419 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.005 4.416 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.355 5.899 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.474 4.623 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.137 4.625 -1.129 1.00 0.00 H new ATOM 148 N MET A 65 -1.099 -1.043 -1.280 1.00 0.00 N ATOM 149 CA MET A 65 -1.320 -2.389 -1.794 1.00 0.00 C ATOM 150 C MET A 65 -0.957 -3.424 -0.739 1.00 0.00 C ATOM 151 O MET A 65 -1.753 -4.307 -0.420 1.00 0.00 O ATOM 152 CB MET A 65 -0.498 -2.617 -3.060 1.00 0.00 C ATOM 153 CG MET A 65 -0.686 -3.996 -3.670 1.00 0.00 C ATOM 154 SD MET A 65 0.558 -5.177 -3.114 1.00 0.00 S ATOM 155 CE MET A 65 -0.433 -6.249 -2.076 1.00 0.00 C ATOM 0 H MET A 65 -0.392 -0.508 -1.785 1.00 0.00 H new ATOM 0 HA MET A 65 -2.376 -2.496 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.768 -1.863 -3.799 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.557 -2.473 -2.828 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.677 -4.370 -3.414 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.646 -3.917 -4.756 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.098 -6.165 -1.042 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.480 -5.954 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.325 -7.281 -2.410 1.00 0.00 H new ATOM 165 N VAL A 66 0.246 -3.298 -0.187 1.00 0.00 N ATOM 166 CA VAL A 66 0.705 -4.215 0.850 1.00 0.00 C ATOM 167 C VAL A 66 -0.239 -4.158 2.041 1.00 0.00 C ATOM 168 O VAL A 66 -0.482 -5.162 2.711 1.00 0.00 O ATOM 169 CB VAL A 66 2.133 -3.881 1.330 1.00 0.00 C ATOM 170 CG1 VAL A 66 2.767 -5.089 2.001 1.00 0.00 C ATOM 171 CG2 VAL A 66 2.996 -3.394 0.175 1.00 0.00 C ATOM 0 H VAL A 66 0.918 -2.573 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 66 0.716 -5.215 0.416 1.00 0.00 H new ATOM 0 HB VAL A 66 2.065 -3.076 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.774 -4.834 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.166 -5.385 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.817 -5.915 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.997 -3.165 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.056 -4.171 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.553 -2.496 -0.257 1.00 0.00 H new ATOM 181 N GLU A 67 -0.776 -2.968 2.286 1.00 0.00 N ATOM 182 CA GLU A 67 -1.708 -2.751 3.381 1.00 0.00 C ATOM 183 C GLU A 67 -3.099 -3.258 3.010 1.00 0.00 C ATOM 184 O GLU A 67 -3.895 -3.606 3.882 1.00 0.00 O ATOM 185 CB GLU A 67 -1.765 -1.262 3.729 1.00 0.00 C ATOM 186 CG GLU A 67 -2.782 -0.923 4.808 1.00 0.00 C ATOM 187 CD GLU A 67 -2.308 0.186 5.727 1.00 0.00 C ATOM 188 OE1 GLU A 67 -1.323 -0.034 6.463 1.00 0.00 O ATOM 189 OE2 GLU A 67 -2.922 1.273 5.710 1.00 0.00 O ATOM 0 H GLU A 67 -0.578 -2.133 1.734 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.360 -3.308 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.778 -0.937 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.003 -0.697 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.719 -0.625 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.991 -1.815 5.399 1.00 0.00 H new ATOM 196 N ASN A 68 -3.387 -3.295 1.710 1.00 0.00 N ATOM 197 CA ASN A 68 -4.683 -3.758 1.228 1.00 0.00 C ATOM 198 C ASN A 68 -4.969 -5.180 1.703 1.00 0.00 C ATOM 199 O ASN A 68 -6.125 -5.565 1.878 1.00 0.00 O ATOM 200 CB ASN A 68 -4.731 -3.699 -0.301 1.00 0.00 C ATOM 201 CG ASN A 68 -6.058 -3.179 -0.817 1.00 0.00 C ATOM 202 OD1 ASN A 68 -7.007 -3.940 -1.002 1.00 0.00 O ATOM 203 ND2 ASN A 68 -6.130 -1.874 -1.054 1.00 0.00 N ATOM 0 H ASN A 68 -2.740 -3.010 0.974 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.450 -3.099 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.927 -3.058 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.552 -4.695 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.997 -1.466 -1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.318 -1.280 -0.886 1.00 0.00 H new ATOM 210 N ALA A 69 -3.910 -5.957 1.911 1.00 0.00 N ATOM 211 CA ALA A 69 -4.052 -7.335 2.365 1.00 0.00 C ATOM 212 C ALA A 69 -3.050 -7.659 3.468 1.00 0.00 C ATOM 213 O ALA A 69 -2.523 -8.770 3.533 1.00 0.00 O ATOM 214 CB ALA A 69 -3.884 -8.295 1.197 1.00 0.00 C ATOM 0 H ALA A 69 -2.945 -5.655 1.772 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.054 -7.453 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.992 -9.320 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.644 -8.088 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.895 -8.165 0.759 1.00 0.00 H new ATOM 220 N LYS A 70 -2.793 -6.685 4.334 1.00 0.00 N ATOM 221 CA LYS A 70 -1.855 -6.870 5.436 1.00 0.00 C ATOM 222 C LYS A 70 -2.547 -7.475 6.658 1.00 0.00 C ATOM 223 O LYS A 70 -1.902 -7.755 7.668 1.00 0.00 O ATOM 224 CB LYS A 70 -1.210 -5.535 5.813 1.00 0.00 C ATOM 225 CG LYS A 70 -0.083 -5.667 6.826 1.00 0.00 C ATOM 226 CD LYS A 70 -0.334 -4.811 8.058 1.00 0.00 C ATOM 227 CE LYS A 70 -0.988 -5.615 9.170 1.00 0.00 C ATOM 228 NZ LYS A 70 -0.244 -6.872 9.459 1.00 0.00 N ATOM 0 H LYS A 70 -3.221 -5.760 4.295 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.082 -7.563 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.823 -5.061 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.975 -4.873 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.020 -6.711 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.859 -5.373 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.610 -4.397 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.972 -3.968 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.040 -5.008 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.013 -5.857 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.349 -7.114 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.626 -7.643 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.763 -6.738 9.239 1.00 0.00 H new ATOM 242 N LYS A 71 -3.860 -7.674 6.562 1.00 0.00 N ATOM 243 CA LYS A 71 -4.628 -8.244 7.663 1.00 0.00 C ATOM 244 C LYS A 71 -4.554 -7.350 8.897 1.00 0.00 C ATOM 245 O LYS A 71 -4.463 -7.836 10.024 1.00 0.00 O ATOM 246 CB LYS A 71 -4.115 -9.646 8.000 1.00 0.00 C ATOM 247 CG LYS A 71 -4.352 -10.662 6.895 1.00 0.00 C ATOM 248 CD LYS A 71 -3.187 -10.707 5.921 1.00 0.00 C ATOM 249 CE LYS A 71 -1.948 -11.312 6.561 1.00 0.00 C ATOM 250 NZ LYS A 71 -1.788 -12.750 6.211 1.00 0.00 N ATOM 0 H LYS A 71 -4.412 -7.449 5.734 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.670 -8.314 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.047 -9.592 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.602 -9.993 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.500 -11.649 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.267 -10.411 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.467 -11.291 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.963 -9.698 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.066 -10.759 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.011 -11.207 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.932 -13.125 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.618 -13.282 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.702 -12.849 5.179 1.00 0.00 H new ATOM 264 N ILE A 72 -4.593 -6.041 8.674 1.00 0.00 N ATOM 265 CA ILE A 72 -4.531 -5.077 9.767 1.00 0.00 C ATOM 266 C ILE A 72 -5.687 -5.275 10.740 1.00 0.00 C ATOM 267 O ILE A 72 -6.613 -6.045 10.409 1.00 0.00 O ATOM 268 CB ILE A 72 -4.559 -3.629 9.242 1.00 0.00 C ATOM 269 CG1 ILE A 72 -5.820 -3.389 8.411 1.00 0.00 C ATOM 270 CG2 ILE A 72 -3.312 -3.340 8.419 1.00 0.00 C ATOM 271 CD1 ILE A 72 -6.405 -2.004 8.589 1.00 0.00 C ATOM 272 OXT ILE A 72 -5.658 -4.658 11.826 1.00 0.00 O ATOM 0 H ILE A 72 -4.667 -5.623 7.747 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.588 -5.249 10.287 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.574 -2.949 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.586 -3.544 7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.572 -4.130 8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.346 -2.313 8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.427 -3.475 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.269 -4.024 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.297 -1.904 7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.670 -1.853 9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.670 -1.257 8.289 1.00 0.00 H new TER 284 ILE A 72