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= 0.0638 USER MOD Single : A 62 THR OG1 : rot -92:sc= 1.12 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.491 (180deg=-1.52!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -121:sc= -2.48 (180deg=-6.31!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -1.63! (180deg=-2.39!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 55 3.326 13.915 -10.407 1.00 0.00 N ATOM 2 CA GLY A 55 2.522 12.662 -10.376 1.00 0.00 C ATOM 3 C GLY A 55 3.375 11.431 -10.127 1.00 0.00 C ATOM 4 O GLY A 55 3.845 10.799 -11.073 1.00 0.00 O ATOM 0 HA2 GLY A 55 1.764 12.739 -9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.994 12.549 -11.323 1.00 0.00 H new ATOM 10 N PRO A 56 3.593 11.064 -8.853 1.00 0.00 N ATOM 11 CA PRO A 56 4.392 9.905 -8.489 1.00 0.00 C ATOM 12 C PRO A 56 3.551 8.642 -8.352 1.00 0.00 C ATOM 13 O PRO A 56 3.761 7.660 -9.064 1.00 0.00 O ATOM 14 CB PRO A 56 4.969 10.318 -7.137 1.00 0.00 C ATOM 15 CG PRO A 56 3.945 11.231 -6.532 1.00 0.00 C ATOM 16 CD PRO A 56 3.077 11.752 -7.660 1.00 0.00 C ATOM 0 HA PRO A 56 5.142 9.658 -9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.145 9.449 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.927 10.825 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.341 10.697 -5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.428 12.055 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.024 11.524 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.157 12.835 -7.758 1.00 0.00 H new ATOM 24 N GLU A 57 2.594 8.685 -7.432 1.00 0.00 N ATOM 25 CA GLU A 57 1.699 7.566 -7.178 1.00 0.00 C ATOM 26 C GLU A 57 2.448 6.234 -7.179 1.00 0.00 C ATOM 27 O GLU A 57 1.901 5.203 -7.570 1.00 0.00 O ATOM 28 CB GLU A 57 0.580 7.543 -8.218 1.00 0.00 C ATOM 29 CG GLU A 57 -0.727 6.970 -7.695 1.00 0.00 C ATOM 30 CD GLU A 57 -1.458 6.144 -8.735 1.00 0.00 C ATOM 31 OE1 GLU A 57 -1.304 6.434 -9.940 1.00 0.00 O ATOM 32 OE2 GLU A 57 -2.186 5.206 -8.344 1.00 0.00 O ATOM 0 H GLU A 57 2.418 9.498 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 57 1.267 7.702 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.405 8.558 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.906 6.956 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.524 6.351 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.371 7.785 -7.365 1.00 0.00 H new ATOM 39 N ALA A 58 3.702 6.265 -6.739 1.00 0.00 N ATOM 40 CA ALA A 58 4.524 5.063 -6.689 1.00 0.00 C ATOM 41 C ALA A 58 4.717 4.589 -5.253 1.00 0.00 C ATOM 42 O ALA A 58 4.398 3.449 -4.917 1.00 0.00 O ATOM 43 CB ALA A 58 5.871 5.318 -7.348 1.00 0.00 C ATOM 0 H ALA A 58 4.170 7.110 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 58 4.007 4.276 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.475 4.412 -7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.719 5.602 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.386 6.123 -6.824 1.00 0.00 H new ATOM 49 N SER A 59 5.242 5.472 -4.409 1.00 0.00 N ATOM 50 CA SER A 59 5.477 5.144 -3.008 1.00 0.00 C ATOM 51 C SER A 59 4.172 4.776 -2.309 1.00 0.00 C ATOM 52 O SER A 59 4.123 3.830 -1.523 1.00 0.00 O ATOM 53 CB SER A 59 6.139 6.322 -2.291 1.00 0.00 C ATOM 54 OG SER A 59 6.831 7.153 -3.207 1.00 0.00 O ATOM 0 H SER A 59 5.513 6.420 -4.671 1.00 0.00 H new ATOM 0 HA SER A 59 6.144 4.283 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.382 6.905 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.833 5.950 -1.537 1.00 0.00 H new ATOM 0 HG SER A 59 7.244 7.899 -2.724 1.00 0.00 H new ATOM 60 N ALA A 60 3.118 5.531 -2.600 1.00 0.00 N ATOM 61 CA ALA A 60 1.813 5.284 -1.999 1.00 0.00 C ATOM 62 C ALA A 60 1.232 3.957 -2.474 1.00 0.00 C ATOM 63 O ALA A 60 0.723 3.170 -1.676 1.00 0.00 O ATOM 64 CB ALA A 60 0.860 6.426 -2.321 1.00 0.00 C ATOM 0 H ALA A 60 3.142 6.318 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 60 1.943 5.227 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.111 6.229 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.263 7.359 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.744 6.510 -3.402 1.00 0.00 H new ATOM 70 N PHE A 61 1.311 3.715 -3.778 1.00 0.00 N ATOM 71 CA PHE A 61 0.792 2.482 -4.359 1.00 0.00 C ATOM 72 C PHE A 61 1.497 1.268 -3.770 1.00 0.00 C ATOM 73 O PHE A 61 0.903 0.199 -3.628 1.00 0.00 O ATOM 74 CB PHE A 61 0.959 2.498 -5.877 1.00 0.00 C ATOM 75 CG PHE A 61 0.395 1.283 -6.560 1.00 0.00 C ATOM 76 CD1 PHE A 61 -0.806 0.731 -6.144 1.00 0.00 C ATOM 77 CD2 PHE A 61 1.068 0.694 -7.619 1.00 0.00 C ATOM 78 CE1 PHE A 61 -1.326 -0.386 -6.771 1.00 0.00 C ATOM 79 CE2 PHE A 61 0.553 -0.423 -8.250 1.00 0.00 C ATOM 80 CZ PHE A 61 -0.645 -0.963 -7.825 1.00 0.00 C ATOM 0 H PHE A 61 1.729 4.356 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.269 2.415 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.473 3.388 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.019 2.579 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.342 1.179 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.005 1.112 -7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.263 -0.807 -6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.087 -0.873 -9.074 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.049 -1.836 -8.316 1.00 0.00 H new ATOM 90 N THR A 62 2.766 1.442 -3.420 1.00 0.00 N ATOM 91 CA THR A 62 3.550 0.361 -2.836 1.00 0.00 C ATOM 92 C THR A 62 3.294 0.252 -1.333 1.00 0.00 C ATOM 93 O THR A 62 3.936 -0.540 -0.643 1.00 0.00 O ATOM 94 CB THR A 62 5.040 0.586 -3.096 1.00 0.00 C ATOM 95 OG1 THR A 62 5.338 1.970 -3.145 1.00 0.00 O ATOM 96 CG2 THR A 62 5.521 -0.033 -4.391 1.00 0.00 C ATOM 0 H THR A 62 3.273 2.320 -3.530 1.00 0.00 H new ATOM 0 HA THR A 62 3.243 -0.573 -3.307 1.00 0.00 H new ATOM 0 HB THR A 62 5.554 0.101 -2.266 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.284 2.284 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.586 0.163 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.351 -1.109 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.973 0.401 -5.227 1.00 0.00 H new ATOM 104 N LYS A 63 2.353 1.051 -0.829 1.00 0.00 N ATOM 105 CA LYS A 63 2.020 1.036 0.590 1.00 0.00 C ATOM 106 C LYS A 63 0.565 0.627 0.800 1.00 0.00 C ATOM 107 O LYS A 63 0.273 -0.297 1.559 1.00 0.00 O ATOM 108 CB LYS A 63 2.272 2.413 1.210 1.00 0.00 C ATOM 109 CG LYS A 63 3.210 2.378 2.405 1.00 0.00 C ATOM 110 CD LYS A 63 4.563 1.794 2.034 1.00 0.00 C ATOM 111 CE LYS A 63 5.120 0.925 3.151 1.00 0.00 C ATOM 112 NZ LYS A 63 4.134 -0.093 3.607 1.00 0.00 N ATOM 0 H LYS A 63 1.811 1.714 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 63 2.660 0.303 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.689 3.074 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.319 2.843 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.343 3.387 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.763 1.785 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.468 1.202 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.262 2.602 1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.025 0.425 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.407 1.555 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.638 -0.915 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.525 0.319 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.549 -0.395 2.802 1.00 0.00 H new ATOM 126 N LYS A 64 -0.343 1.322 0.122 1.00 0.00 N ATOM 127 CA LYS A 64 -1.765 1.035 0.231 1.00 0.00 C ATOM 128 C LYS A 64 -2.057 -0.416 -0.137 1.00 0.00 C ATOM 129 O LYS A 64 -2.886 -1.071 0.493 1.00 0.00 O ATOM 130 CB LYS A 64 -2.556 1.977 -0.675 1.00 0.00 C ATOM 131 CG LYS A 64 -2.298 1.761 -2.157 1.00 0.00 C ATOM 132 CD LYS A 64 -3.185 2.651 -3.013 1.00 0.00 C ATOM 133 CE LYS A 64 -3.675 1.922 -4.253 1.00 0.00 C ATOM 134 NZ LYS A 64 -5.086 2.267 -4.579 1.00 0.00 N ATOM 0 H LYS A 64 -0.116 2.090 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.070 1.191 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.620 1.847 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.308 3.007 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.251 1.968 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.477 0.716 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.040 2.987 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.631 3.542 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.035 2.174 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.591 0.846 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.382 1.749 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.701 2.004 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.162 3.290 -4.752 1.00 0.00 H new ATOM 148 N MET A 65 -1.364 -0.915 -1.157 1.00 0.00 N ATOM 149 CA MET A 65 -1.547 -2.292 -1.600 1.00 0.00 C ATOM 150 C MET A 65 -1.215 -3.262 -0.474 1.00 0.00 C ATOM 151 O MET A 65 -2.004 -4.151 -0.155 1.00 0.00 O ATOM 152 CB MET A 65 -0.669 -2.578 -2.817 1.00 0.00 C ATOM 153 CG MET A 65 -0.791 -4.001 -3.337 1.00 0.00 C ATOM 154 SD MET A 65 0.413 -5.118 -2.593 1.00 0.00 S ATOM 155 CE MET A 65 -0.659 -6.170 -1.617 1.00 0.00 C ATOM 0 H MET A 65 -0.673 -0.387 -1.690 1.00 0.00 H new ATOM 0 HA MET A 65 -2.591 -2.429 -1.880 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.933 -1.885 -3.616 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.372 -2.383 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.796 -4.372 -3.137 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.660 -4.001 -4.419 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.371 -6.110 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.692 -5.841 -1.729 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.568 -7.201 -1.960 1.00 0.00 H new ATOM 165 N VAL A 66 -0.050 -3.073 0.136 1.00 0.00 N ATOM 166 CA VAL A 66 0.375 -3.923 1.243 1.00 0.00 C ATOM 167 C VAL A 66 -0.636 -3.840 2.376 1.00 0.00 C ATOM 168 O VAL A 66 -0.877 -4.814 3.088 1.00 0.00 O ATOM 169 CB VAL A 66 1.764 -3.520 1.784 1.00 0.00 C ATOM 170 CG1 VAL A 66 2.393 -4.674 2.548 1.00 0.00 C ATOM 171 CG2 VAL A 66 2.676 -3.061 0.655 1.00 0.00 C ATOM 0 H VAL A 66 0.615 -2.342 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 66 0.439 -4.942 0.861 1.00 0.00 H new ATOM 0 HB VAL A 66 1.632 -2.683 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.371 -4.372 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.752 -4.947 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.507 -5.531 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.648 -2.783 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.802 -3.871 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.232 -2.200 0.156 1.00 0.00 H new ATOM 181 N GLU A 67 -1.231 -2.661 2.524 1.00 0.00 N ATOM 182 CA GLU A 67 -2.229 -2.425 3.555 1.00 0.00 C ATOM 183 C GLU A 67 -3.585 -2.983 3.129 1.00 0.00 C ATOM 184 O GLU A 67 -4.419 -3.320 3.970 1.00 0.00 O ATOM 185 CB GLU A 67 -2.343 -0.924 3.835 1.00 0.00 C ATOM 186 CG GLU A 67 -3.429 -0.568 4.838 1.00 0.00 C ATOM 187 CD GLU A 67 -3.067 0.636 5.685 1.00 0.00 C ATOM 188 OE1 GLU A 67 -1.946 0.659 6.235 1.00 0.00 O ATOM 189 OE2 GLU A 67 -3.905 1.555 5.800 1.00 0.00 O ATOM 0 H GLU A 67 -1.036 -1.850 1.937 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.917 -2.937 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.385 -0.559 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.541 -0.403 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.359 -0.367 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.613 -1.423 5.488 1.00 0.00 H new ATOM 196 N ASN A 68 -3.799 -3.080 1.818 1.00 0.00 N ATOM 197 CA ASN A 68 -5.054 -3.598 1.285 1.00 0.00 C ATOM 198 C ASN A 68 -5.335 -5.001 1.815 1.00 0.00 C ATOM 199 O ASN A 68 -6.490 -5.404 1.950 1.00 0.00 O ATOM 200 CB ASN A 68 -5.013 -3.614 -0.245 1.00 0.00 C ATOM 201 CG ASN A 68 -6.237 -2.966 -0.862 1.00 0.00 C ATOM 202 OD1 ASN A 68 -7.219 -3.639 -1.174 1.00 0.00 O ATOM 203 ND2 ASN A 68 -6.183 -1.651 -1.043 1.00 0.00 N ATOM 0 H ASN A 68 -3.120 -2.807 1.108 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.859 -2.940 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.118 -3.094 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.936 -4.644 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.976 -1.160 -1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.348 -1.132 -0.770 1.00 0.00 H new ATOM 210 N ALA A 69 -4.272 -5.741 2.115 1.00 0.00 N ATOM 211 CA ALA A 69 -4.406 -7.098 2.631 1.00 0.00 C ATOM 212 C ALA A 69 -3.249 -7.451 3.559 1.00 0.00 C ATOM 213 O ALA A 69 -2.758 -8.579 3.554 1.00 0.00 O ATOM 214 CB ALA A 69 -4.487 -8.092 1.482 1.00 0.00 C ATOM 0 H ALA A 69 -3.309 -5.423 2.009 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.328 -7.151 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.587 -9.102 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.352 -7.860 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.580 -8.027 0.880 1.00 0.00 H new ATOM 220 N LYS A 70 -2.820 -6.479 4.357 1.00 0.00 N ATOM 221 CA LYS A 70 -1.722 -6.688 5.294 1.00 0.00 C ATOM 222 C LYS A 70 -2.068 -7.774 6.311 1.00 0.00 C ATOM 223 O LYS A 70 -1.181 -8.344 6.947 1.00 0.00 O ATOM 224 CB LYS A 70 -1.387 -5.384 6.020 1.00 0.00 C ATOM 225 CG LYS A 70 -0.136 -5.469 6.879 1.00 0.00 C ATOM 226 CD LYS A 70 0.578 -4.130 6.958 1.00 0.00 C ATOM 227 CE LYS A 70 -0.134 -3.174 7.901 1.00 0.00 C ATOM 228 NZ LYS A 70 0.499 -3.149 9.249 1.00 0.00 N ATOM 0 H LYS A 70 -3.216 -5.539 4.374 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.852 -7.014 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.259 -4.591 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.231 -5.101 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.404 -5.799 7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.539 -6.219 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.602 -4.282 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.634 -3.687 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.123 -2.170 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.179 -3.469 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.219 -2.920 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.910 -4.081 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.248 -2.428 9.267 1.00 0.00 H new ATOM 242 N LYS A 71 -3.361 -8.054 6.462 1.00 0.00 N ATOM 243 CA LYS A 71 -3.821 -9.070 7.404 1.00 0.00 C ATOM 244 C LYS A 71 -3.618 -8.607 8.843 1.00 0.00 C ATOM 245 O LYS A 71 -3.225 -9.389 9.709 1.00 0.00 O ATOM 246 CB LYS A 71 -3.085 -10.393 7.171 1.00 0.00 C ATOM 247 CG LYS A 71 -2.958 -10.769 5.704 1.00 0.00 C ATOM 248 CD LYS A 71 -4.315 -10.818 5.021 1.00 0.00 C ATOM 249 CE LYS A 71 -4.388 -11.948 4.007 1.00 0.00 C ATOM 250 NZ LYS A 71 -5.782 -12.432 3.813 1.00 0.00 N ATOM 0 H LYS A 71 -4.108 -7.591 5.944 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.887 -9.226 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.089 -10.327 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.611 -11.189 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.320 -10.046 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.471 -11.740 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.096 -10.949 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.507 -9.868 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.987 -11.606 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.760 -12.775 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.788 -13.202 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.157 -12.782 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.377 -11.650 3.471 1.00 0.00 H new ATOM 264 N ILE A 72 -3.889 -7.329 9.090 1.00 0.00 N ATOM 265 CA ILE A 72 -3.737 -6.760 10.423 1.00 0.00 C ATOM 266 C ILE A 72 -5.092 -6.567 11.096 1.00 0.00 C ATOM 267 O ILE A 72 -5.122 -6.441 12.338 1.00 0.00 O ATOM 268 CB ILE A 72 -3.002 -5.406 10.377 1.00 0.00 C ATOM 269 CG1 ILE A 72 -3.618 -4.503 9.307 1.00 0.00 C ATOM 270 CG2 ILE A 72 -1.519 -5.617 10.112 1.00 0.00 C ATOM 271 CD1 ILE A 72 -3.675 -3.045 9.707 1.00 0.00 C ATOM 272 OXT ILE A 72 -6.111 -6.542 10.375 1.00 0.00 O ATOM 0 H ILE A 72 -4.215 -6.669 8.384 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.143 -7.467 11.002 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.111 -4.917 11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.040 -4.597 8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.627 -4.851 9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.014 -4.652 10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.090 -6.227 10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.389 -6.124 9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.123 -2.464 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.277 -2.939 10.609 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.666 -2.681 9.899 1.00 0.00 H new TER 284 ILE A 72