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 -30:sc= 0.654 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 -113:sc= -2.8! (180deg=-6.09!) 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 -0.724 12.137 -8.858 1.00 0.00 N ATOM 2 CA GLY A 55 0.157 12.108 -10.057 1.00 0.00 C ATOM 3 C GLY A 55 0.940 10.813 -10.171 1.00 0.00 C ATOM 4 O GLY A 55 0.530 9.900 -10.888 1.00 0.00 O ATOM 0 HA2 GLY A 55 -0.449 12.242 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.852 12.947 -10.014 1.00 0.00 H new ATOM 10 N PRO A 56 2.081 10.703 -9.470 1.00 0.00 N ATOM 11 CA PRO A 56 2.917 9.513 -9.497 1.00 0.00 C ATOM 12 C PRO A 56 2.546 8.520 -8.402 1.00 0.00 C ATOM 13 O PRO A 56 2.170 7.381 -8.679 1.00 0.00 O ATOM 14 CB PRO A 56 4.310 10.087 -9.256 1.00 0.00 C ATOM 15 CG PRO A 56 4.095 11.308 -8.413 1.00 0.00 C ATOM 16 CD PRO A 56 2.651 11.734 -8.589 1.00 0.00 C ATOM 0 HA PRO A 56 2.819 8.950 -10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.950 9.366 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.799 10.340 -10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.306 11.093 -7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.771 12.108 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.128 11.776 -7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.579 12.725 -9.036 1.00 0.00 H new ATOM 24 N GLU A 57 2.653 8.971 -7.158 1.00 0.00 N ATOM 25 CA GLU A 57 2.333 8.153 -5.997 1.00 0.00 C ATOM 26 C GLU A 57 2.864 6.728 -6.149 1.00 0.00 C ATOM 27 O GLU A 57 2.097 5.765 -6.156 1.00 0.00 O ATOM 28 CB GLU A 57 0.822 8.135 -5.770 1.00 0.00 C ATOM 29 CG GLU A 57 0.427 7.983 -4.310 1.00 0.00 C ATOM 30 CD GLU A 57 -0.882 8.675 -3.985 1.00 0.00 C ATOM 31 OE1 GLU A 57 -1.164 9.729 -4.593 1.00 0.00 O ATOM 32 OE2 GLU A 57 -1.626 8.163 -3.122 1.00 0.00 O ATOM 0 H GLU A 57 2.964 9.914 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 57 2.822 8.596 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.394 9.059 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.387 7.316 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.343 6.923 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.216 8.392 -3.679 1.00 0.00 H new ATOM 39 N ALA A 58 4.182 6.603 -6.271 1.00 0.00 N ATOM 40 CA ALA A 58 4.815 5.299 -6.423 1.00 0.00 C ATOM 41 C ALA A 58 5.186 4.708 -5.067 1.00 0.00 C ATOM 42 O ALA A 58 4.863 3.558 -4.771 1.00 0.00 O ATOM 43 CB ALA A 58 6.048 5.412 -7.307 1.00 0.00 C ATOM 0 H ALA A 58 4.832 7.389 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 58 4.100 4.628 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.511 4.431 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.758 5.784 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.759 6.102 -6.853 1.00 0.00 H new ATOM 49 N SER A 59 5.866 5.502 -4.247 1.00 0.00 N ATOM 50 CA SER A 59 6.281 5.058 -2.921 1.00 0.00 C ATOM 51 C SER A 59 5.072 4.684 -2.069 1.00 0.00 C ATOM 52 O SER A 59 5.150 3.800 -1.216 1.00 0.00 O ATOM 53 CB SER A 59 7.092 6.151 -2.224 1.00 0.00 C ATOM 54 OG SER A 59 8.311 6.395 -2.906 1.00 0.00 O ATOM 0 H SER A 59 6.142 6.457 -4.477 1.00 0.00 H new ATOM 0 HA SER A 59 6.906 4.173 -3.041 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.507 7.069 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.300 5.854 -1.196 1.00 0.00 H new ATOM 0 HG SER A 59 8.810 7.099 -2.442 1.00 0.00 H new ATOM 60 N ALA A 60 3.955 5.364 -2.306 1.00 0.00 N ATOM 61 CA ALA A 60 2.730 5.104 -1.561 1.00 0.00 C ATOM 62 C ALA A 60 2.025 3.855 -2.080 1.00 0.00 C ATOM 63 O ALA A 60 1.643 2.979 -1.305 1.00 0.00 O ATOM 64 CB ALA A 60 1.801 6.306 -1.637 1.00 0.00 C ATOM 0 H ALA A 60 3.874 6.099 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 60 2.999 4.931 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.890 6.098 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.298 7.178 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.548 6.505 -2.678 1.00 0.00 H new ATOM 70 N PHE A 61 1.857 3.780 -3.398 1.00 0.00 N ATOM 71 CA PHE A 61 1.198 2.638 -4.022 1.00 0.00 C ATOM 72 C PHE A 61 1.877 1.333 -3.626 1.00 0.00 C ATOM 73 O PHE A 61 1.231 0.290 -3.527 1.00 0.00 O ATOM 74 CB PHE A 61 1.203 2.788 -5.543 1.00 0.00 C ATOM 75 CG PHE A 61 0.493 1.676 -6.263 1.00 0.00 C ATOM 76 CD1 PHE A 61 -0.683 1.142 -5.758 1.00 0.00 C ATOM 77 CD2 PHE A 61 1.001 1.165 -7.447 1.00 0.00 C ATOM 78 CE1 PHE A 61 -1.336 0.120 -6.420 1.00 0.00 C ATOM 79 CE2 PHE A 61 0.352 0.143 -8.113 1.00 0.00 C ATOM 80 CZ PHE A 61 -0.818 -0.380 -7.598 1.00 0.00 C ATOM 0 H PHE A 61 2.168 4.497 -4.053 1.00 0.00 H new ATOM 0 HA PHE A 61 0.167 2.610 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.735 3.736 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.235 2.834 -5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.093 1.529 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.915 1.571 -7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.251 -0.287 -6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.759 -0.246 -9.035 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.327 -1.179 -8.116 1.00 0.00 H new ATOM 90 N THR A 62 3.182 1.401 -3.392 1.00 0.00 N ATOM 91 CA THR A 62 3.947 0.226 -2.995 1.00 0.00 C ATOM 92 C THR A 62 3.768 -0.064 -1.505 1.00 0.00 C ATOM 93 O THR A 62 4.357 -1.006 -0.975 1.00 0.00 O ATOM 94 CB THR A 62 5.430 0.426 -3.313 1.00 0.00 C ATOM 95 OG1 THR A 62 6.168 -0.746 -3.018 1.00 0.00 O ATOM 96 CG2 THR A 62 6.058 1.570 -2.546 1.00 0.00 C ATOM 0 H THR A 62 3.732 2.257 -3.470 1.00 0.00 H new ATOM 0 HA THR A 62 3.573 -0.628 -3.560 1.00 0.00 H new ATOM 0 HB THR A 62 5.468 0.660 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.742 -1.223 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.110 1.657 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.542 2.499 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.975 1.380 -1.476 1.00 0.00 H new ATOM 104 N LYS A 63 2.953 0.748 -0.833 1.00 0.00 N ATOM 105 CA LYS A 63 2.704 0.570 0.593 1.00 0.00 C ATOM 106 C LYS A 63 1.240 0.232 0.852 1.00 0.00 C ATOM 107 O LYS A 63 0.930 -0.733 1.551 1.00 0.00 O ATOM 108 CB LYS A 63 3.091 1.836 1.361 1.00 0.00 C ATOM 109 CG LYS A 63 3.935 1.562 2.596 1.00 0.00 C ATOM 110 CD LYS A 63 3.214 0.645 3.571 1.00 0.00 C ATOM 111 CE LYS A 63 4.177 -0.319 4.244 1.00 0.00 C ATOM 112 NZ LYS A 63 3.792 -0.593 5.656 1.00 0.00 N ATOM 0 H LYS A 63 2.456 1.533 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 63 3.317 -0.261 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.641 2.501 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.184 2.362 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.880 1.108 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.175 2.503 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.708 1.243 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.445 0.083 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.202 -1.255 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.185 0.096 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.474 -1.255 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.792 0.297 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.841 -1.013 5.681 1.00 0.00 H new ATOM 126 N LYS A 64 0.342 1.031 0.284 1.00 0.00 N ATOM 127 CA LYS A 64 -1.087 0.817 0.453 1.00 0.00 C ATOM 128 C LYS A 64 -1.492 -0.565 -0.049 1.00 0.00 C ATOM 129 O LYS A 64 -2.370 -1.210 0.522 1.00 0.00 O ATOM 130 CB LYS A 64 -1.871 1.897 -0.291 1.00 0.00 C ATOM 131 CG LYS A 64 -1.379 2.143 -1.708 1.00 0.00 C ATOM 132 CD LYS A 64 -2.475 2.729 -2.583 1.00 0.00 C ATOM 133 CE LYS A 64 -2.322 4.234 -2.734 1.00 0.00 C ATOM 134 NZ LYS A 64 -3.214 4.780 -3.795 1.00 0.00 N ATOM 0 H LYS A 64 0.582 1.834 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.319 0.877 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.922 1.611 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.812 2.829 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.527 2.823 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.028 1.206 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.448 2.259 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.449 2.503 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.549 4.719 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.285 4.471 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.079 5.809 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.981 4.336 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.205 4.577 -3.554 1.00 0.00 H new ATOM 148 N MET A 65 -0.842 -1.016 -1.118 1.00 0.00 N ATOM 149 CA MET A 65 -1.132 -2.325 -1.688 1.00 0.00 C ATOM 150 C MET A 65 -0.801 -3.423 -0.687 1.00 0.00 C ATOM 151 O MET A 65 -1.631 -4.284 -0.396 1.00 0.00 O ATOM 152 CB MET A 65 -0.338 -2.531 -2.976 1.00 0.00 C ATOM 153 CG MET A 65 -0.597 -3.872 -3.644 1.00 0.00 C ATOM 154 SD MET A 65 0.599 -5.131 -3.158 1.00 0.00 S ATOM 155 CE MET A 65 -0.428 -6.204 -2.157 1.00 0.00 C ATOM 0 H MET A 65 -0.113 -0.495 -1.605 1.00 0.00 H new ATOM 0 HA MET A 65 -2.196 -2.373 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.584 -1.733 -3.676 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.726 -2.444 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.601 -4.212 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.567 -3.746 -4.726 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.101 -6.155 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.467 -5.881 -2.226 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.342 -7.229 -2.517 1.00 0.00 H new ATOM 165 N VAL A 66 0.414 -3.376 -0.149 1.00 0.00 N ATOM 166 CA VAL A 66 0.845 -4.359 0.839 1.00 0.00 C ATOM 167 C VAL A 66 -0.078 -4.313 2.047 1.00 0.00 C ATOM 168 O VAL A 66 -0.352 -5.333 2.680 1.00 0.00 O ATOM 169 CB VAL A 66 2.294 -4.112 1.309 1.00 0.00 C ATOM 170 CG1 VAL A 66 2.882 -5.378 1.913 1.00 0.00 C ATOM 171 CG2 VAL A 66 3.160 -3.611 0.162 1.00 0.00 C ATOM 0 H VAL A 66 1.115 -2.671 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 66 0.803 -5.338 0.361 1.00 0.00 H new ATOM 0 HB VAL A 66 2.275 -3.340 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.904 -5.185 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.281 -5.686 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.883 -6.171 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.176 -3.445 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.173 -4.354 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.752 -2.675 -0.220 1.00 0.00 H new ATOM 181 N GLU A 67 -0.560 -3.113 2.350 1.00 0.00 N ATOM 182 CA GLU A 67 -1.465 -2.905 3.470 1.00 0.00 C ATOM 183 C GLU A 67 -2.884 -3.330 3.099 1.00 0.00 C ATOM 184 O GLU A 67 -3.680 -3.691 3.966 1.00 0.00 O ATOM 185 CB GLU A 67 -1.449 -1.432 3.885 1.00 0.00 C ATOM 186 CG GLU A 67 -2.434 -1.097 4.995 1.00 0.00 C ATOM 187 CD GLU A 67 -2.207 0.285 5.576 1.00 0.00 C ATOM 188 OE1 GLU A 67 -1.063 0.781 5.499 1.00 0.00 O ATOM 189 OE2 GLU A 67 -3.173 0.871 6.108 1.00 0.00 O ATOM 0 H GLU A 67 -0.336 -2.265 1.830 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.130 -3.516 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.443 -1.167 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.674 -0.816 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.450 -1.162 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.349 -1.840 5.788 1.00 0.00 H new ATOM 196 N ASN A 68 -3.194 -3.284 1.805 1.00 0.00 N ATOM 197 CA ASN A 68 -4.518 -3.664 1.324 1.00 0.00 C ATOM 198 C ASN A 68 -4.846 -5.105 1.705 1.00 0.00 C ATOM 199 O ASN A 68 -6.011 -5.457 1.893 1.00 0.00 O ATOM 200 CB ASN A 68 -4.598 -3.495 -0.195 1.00 0.00 C ATOM 201 CG ASN A 68 -5.922 -2.906 -0.641 1.00 0.00 C ATOM 202 OD1 ASN A 68 -6.902 -3.625 -0.831 1.00 0.00 O ATOM 203 ND2 ASN A 68 -5.956 -1.589 -0.813 1.00 0.00 N ATOM 0 H ASN A 68 -2.548 -2.988 1.074 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.250 -3.009 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.785 -2.850 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.454 -4.464 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.819 -1.136 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.119 -1.031 -0.644 1.00 0.00 H new ATOM 210 N ALA A 69 -3.814 -5.935 1.816 1.00 0.00 N ATOM 211 CA ALA A 69 -3.997 -7.337 2.173 1.00 0.00 C ATOM 212 C ALA A 69 -3.059 -7.745 3.304 1.00 0.00 C ATOM 213 O ALA A 69 -2.545 -8.863 3.324 1.00 0.00 O ATOM 214 CB ALA A 69 -3.777 -8.224 0.957 1.00 0.00 C ATOM 0 H ALA A 69 -2.843 -5.661 1.664 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.021 -7.465 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.917 -9.268 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.493 -7.959 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.764 -8.082 0.582 1.00 0.00 H new ATOM 220 N LYS A 70 -2.842 -6.833 4.246 1.00 0.00 N ATOM 221 CA LYS A 70 -1.967 -7.100 5.383 1.00 0.00 C ATOM 222 C LYS A 70 -2.761 -7.610 6.586 1.00 0.00 C ATOM 223 O LYS A 70 -2.185 -7.942 7.622 1.00 0.00 O ATOM 224 CB LYS A 70 -1.197 -5.837 5.767 1.00 0.00 C ATOM 225 CG LYS A 70 -0.032 -6.096 6.708 1.00 0.00 C ATOM 226 CD LYS A 70 -0.391 -5.760 8.147 1.00 0.00 C ATOM 227 CE LYS A 70 -0.076 -4.309 8.474 1.00 0.00 C ATOM 228 NZ LYS A 70 1.225 -4.170 9.185 1.00 0.00 N ATOM 0 H LYS A 70 -3.260 -5.902 4.245 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.261 -7.876 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.822 -5.361 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.883 -5.132 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.265 -7.143 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.827 -5.501 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.452 -5.950 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.159 -6.414 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.050 -3.727 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.873 -3.895 9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.403 -3.166 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.192 -4.705 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.989 -4.542 8.586 1.00 0.00 H new ATOM 242 N LYS A 71 -4.084 -7.670 6.446 1.00 0.00 N ATOM 243 CA LYS A 71 -4.949 -8.139 7.524 1.00 0.00 C ATOM 244 C LYS A 71 -4.958 -7.147 8.684 1.00 0.00 C ATOM 245 O LYS A 71 -4.632 -7.498 9.819 1.00 0.00 O ATOM 246 CB LYS A 71 -4.496 -9.517 8.014 1.00 0.00 C ATOM 247 CG LYS A 71 -4.222 -10.502 6.889 1.00 0.00 C ATOM 248 CD LYS A 71 -5.435 -10.671 5.989 1.00 0.00 C ATOM 249 CE LYS A 71 -5.277 -11.863 5.059 1.00 0.00 C ATOM 250 NZ LYS A 71 -6.392 -11.953 4.077 1.00 0.00 N ATOM 0 H LYS A 71 -4.579 -7.399 5.596 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.963 -8.221 7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.593 -9.402 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.262 -9.931 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.375 -10.154 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.942 -11.468 7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.328 -10.801 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.581 -9.766 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.329 -11.784 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.237 -12.780 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.247 -12.779 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.294 -12.054 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.415 -11.089 3.498 1.00 0.00 H new ATOM 264 N ILE A 72 -5.335 -5.907 8.391 1.00 0.00 N ATOM 265 CA ILE A 72 -5.388 -4.864 9.408 1.00 0.00 C ATOM 266 C ILE A 72 -6.393 -3.781 9.032 1.00 0.00 C ATOM 267 O ILE A 72 -6.889 -3.091 9.948 1.00 0.00 O ATOM 268 CB ILE A 72 -4.008 -4.214 9.621 1.00 0.00 C ATOM 269 CG1 ILE A 72 -3.439 -3.723 8.288 1.00 0.00 C ATOM 270 CG2 ILE A 72 -3.054 -5.200 10.279 1.00 0.00 C ATOM 271 CD1 ILE A 72 -2.717 -2.398 8.393 1.00 0.00 C ATOM 272 OXT ILE A 72 -6.677 -3.631 7.825 1.00 0.00 O ATOM 0 H ILE A 72 -5.608 -5.600 7.457 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.702 -5.344 10.335 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.126 -3.355 10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.751 -4.473 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.251 -3.629 7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.083 -4.726 10.423 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.456 -5.505 11.245 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.939 -6.076 9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.340 -2.110 7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.407 -1.635 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.883 -2.492 9.089 1.00 0.00 H new TER 284 ILE A 72