USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 155 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 65 GLN : amide:sc= -13.8! C(o=-14!,f=-5.9!) USER MOD Single : A 66 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.42) USER MOD Single : A 71 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 3.772 2.283 -0.920 1.00 0.00 N ATOM 14 CA ILE A 60 3.385 2.577 -2.344 1.00 0.00 C ATOM 15 C ILE A 60 1.962 2.094 -2.587 1.00 0.00 C ATOM 16 O ILE A 60 1.120 2.816 -3.104 1.00 0.00 O ATOM 17 CB ILE A 60 4.399 1.858 -3.310 1.00 0.00 C ATOM 18 CG1 ILE A 60 5.824 2.510 -3.289 1.00 0.00 C ATOM 19 CG2 ILE A 60 3.891 1.922 -4.776 1.00 0.00 C ATOM 20 CD1 ILE A 60 6.526 2.433 -1.914 1.00 0.00 C ATOM 0 HA ILE A 60 3.422 3.649 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 60 4.469 0.830 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.449 2.018 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.739 3.556 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.604 1.420 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.922 1.427 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.790 2.964 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.506 2.905 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.923 2.951 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.644 1.389 -1.624 1.00 0.00 H new ATOM 32 N ILE A 61 1.728 0.880 -2.179 1.00 0.00 N ATOM 33 CA ILE A 61 0.388 0.290 -2.359 1.00 0.00 C ATOM 34 C ILE A 61 -0.687 0.878 -1.432 1.00 0.00 C ATOM 35 O ILE A 61 -1.687 0.260 -1.129 1.00 0.00 O ATOM 36 CB ILE A 61 0.489 -1.261 -2.170 1.00 0.00 C ATOM 37 CG1 ILE A 61 1.671 -1.707 -1.264 1.00 0.00 C ATOM 38 CG2 ILE A 61 0.534 -1.951 -3.558 1.00 0.00 C ATOM 39 CD1 ILE A 61 3.015 -1.840 -2.039 1.00 0.00 C ATOM 0 H ILE A 61 2.413 0.274 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 61 0.062 0.538 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.406 -1.580 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.794 -0.986 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.427 -2.664 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.604 -3.031 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.373 -1.712 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.403 -1.596 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.801 -2.154 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.907 -2.582 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.279 -0.878 -2.477 1.00 0.00 H new ATOM 51 N ARG A 62 -0.449 2.086 -1.001 1.00 0.00 N ATOM 52 CA ARG A 62 -1.396 2.809 -0.108 1.00 0.00 C ATOM 53 C ARG A 62 -1.390 4.265 -0.511 1.00 0.00 C ATOM 54 O ARG A 62 -2.420 4.906 -0.502 1.00 0.00 O ATOM 55 CB ARG A 62 -0.953 2.641 1.370 1.00 0.00 C ATOM 56 CG ARG A 62 -1.891 1.632 2.071 1.00 0.00 C ATOM 57 CD ARG A 62 -1.395 1.335 3.507 1.00 0.00 C ATOM 58 NE ARG A 62 -1.264 2.618 4.270 1.00 0.00 N ATOM 59 CZ ARG A 62 -1.311 2.626 5.577 1.00 0.00 C ATOM 60 NH1 ARG A 62 -0.638 1.734 6.247 1.00 0.00 N ATOM 61 NH2 ARG A 62 -2.031 3.532 6.174 1.00 0.00 N ATOM 0 H ARG A 62 0.389 2.617 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.404 2.406 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.078 2.289 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.985 3.602 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.904 2.033 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.934 0.707 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.094 0.669 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.434 0.822 3.472 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.137 3.495 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.081 1.038 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.668 1.732 7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.546 4.219 5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.080 3.555 7.193 1.00 0.00 H new ATOM 75 N ILE A 63 -0.252 4.775 -0.867 1.00 0.00 N ATOM 76 CA ILE A 63 -0.202 6.183 -1.275 1.00 0.00 C ATOM 77 C ILE A 63 -0.907 6.342 -2.633 1.00 0.00 C ATOM 78 O ILE A 63 -1.791 7.166 -2.794 1.00 0.00 O ATOM 79 CB ILE A 63 1.277 6.521 -1.278 1.00 0.00 C ATOM 80 CG1 ILE A 63 1.689 6.549 0.237 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.518 7.814 -2.032 1.00 0.00 C ATOM 82 CD1 ILE A 63 2.745 7.591 0.532 1.00 0.00 C ATOM 0 H ILE A 63 0.637 4.276 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.727 6.873 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 63 1.897 5.795 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.807 6.748 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.062 5.567 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.583 8.045 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.176 7.704 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.969 8.623 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.993 7.567 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.639 7.379 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.365 8.578 0.270 1.00 0.00 H new ATOM 94 N LEU A 64 -0.509 5.535 -3.585 1.00 0.00 N ATOM 95 CA LEU A 64 -1.161 5.653 -4.931 1.00 0.00 C ATOM 96 C LEU A 64 -2.668 5.425 -4.818 1.00 0.00 C ATOM 97 O LEU A 64 -3.469 5.991 -5.542 1.00 0.00 O ATOM 98 CB LEU A 64 -0.598 4.601 -5.917 1.00 0.00 C ATOM 99 CG LEU A 64 0.949 4.653 -6.029 1.00 0.00 C ATOM 100 CD1 LEU A 64 1.388 3.577 -7.043 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.425 6.031 -6.539 1.00 0.00 C ATOM 0 H LEU A 64 0.214 4.821 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.953 6.657 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.901 3.606 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.035 4.762 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 64 1.383 4.480 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.473 3.591 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.068 2.595 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.933 3.783 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.513 6.038 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.998 6.222 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.100 6.807 -5.846 1.00 0.00 H new ATOM 113 N GLN A 65 -3.001 4.596 -3.869 1.00 0.00 N ATOM 114 CA GLN A 65 -4.421 4.249 -3.632 1.00 0.00 C ATOM 115 C GLN A 65 -5.265 5.479 -3.342 1.00 0.00 C ATOM 116 O GLN A 65 -6.468 5.439 -3.494 1.00 0.00 O ATOM 117 CB GLN A 65 -4.417 3.222 -2.487 1.00 0.00 C ATOM 118 CG GLN A 65 -3.898 1.827 -3.022 1.00 0.00 C ATOM 119 CD GLN A 65 -2.631 1.952 -3.891 1.00 0.00 C ATOM 120 OE1 GLN A 65 -2.611 1.581 -5.043 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.549 2.476 -3.395 1.00 0.00 N ATOM 0 H GLN A 65 -2.338 4.141 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.886 3.819 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.779 3.571 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.422 3.115 -2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.689 1.174 -2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.687 1.351 -3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.536 2.798 -2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.714 2.565 -3.974 1.00 0.00 H new ATOM 130 N GLN A 66 -4.636 6.548 -2.941 1.00 0.00 N ATOM 131 CA GLN A 66 -5.399 7.779 -2.650 1.00 0.00 C ATOM 132 C GLN A 66 -5.956 8.338 -3.963 1.00 0.00 C ATOM 133 O GLN A 66 -7.015 8.929 -3.999 1.00 0.00 O ATOM 134 CB GLN A 66 -4.469 8.797 -2.024 1.00 0.00 C ATOM 135 CG GLN A 66 -4.127 8.492 -0.554 1.00 0.00 C ATOM 136 CD GLN A 66 -3.457 9.757 0.010 1.00 0.00 C ATOM 137 OE1 GLN A 66 -4.002 10.837 -0.074 1.00 0.00 O ATOM 138 NE2 GLN A 66 -2.292 9.693 0.586 1.00 0.00 N ATOM 0 H GLN A 66 -3.628 6.616 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.219 7.561 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.546 8.839 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.929 9.784 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.026 8.245 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.459 7.634 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.813 8.796 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.858 10.539 0.954 1.00 0.00 H new ATOM 147 N LEU A 67 -5.220 8.119 -5.016 1.00 0.00 N ATOM 148 CA LEU A 67 -5.652 8.622 -6.347 1.00 0.00 C ATOM 149 C LEU A 67 -6.666 7.635 -6.874 1.00 0.00 C ATOM 150 O LEU A 67 -7.726 7.981 -7.368 1.00 0.00 O ATOM 151 CB LEU A 67 -4.459 8.703 -7.315 1.00 0.00 C ATOM 152 CG LEU A 67 -3.461 9.782 -6.828 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.450 9.197 -5.818 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.732 10.376 -8.040 1.00 0.00 C ATOM 0 H LEU A 67 -4.335 7.612 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.073 9.624 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.961 7.735 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.809 8.945 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.015 10.568 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.763 9.980 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.985 8.805 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.887 8.393 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.027 11.137 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.192 9.587 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.458 10.827 -8.716 1.00 0.00 H new ATOM 166 N LEU A 68 -6.302 6.390 -6.734 1.00 0.00 N ATOM 167 CA LEU A 68 -7.233 5.329 -7.222 1.00 0.00 C ATOM 168 C LEU A 68 -8.539 5.492 -6.457 1.00 0.00 C ATOM 169 O LEU A 68 -9.606 5.253 -6.987 1.00 0.00 O ATOM 170 CB LEU A 68 -6.655 3.922 -6.944 1.00 0.00 C ATOM 171 CG LEU A 68 -5.169 3.816 -7.367 1.00 0.00 C ATOM 172 CD1 LEU A 68 -4.682 2.367 -7.160 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.957 4.214 -8.842 1.00 0.00 C ATOM 0 H LEU A 68 -5.429 6.066 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.381 5.428 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.748 3.695 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.240 3.176 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.598 4.507 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.636 2.289 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.782 2.096 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.283 1.691 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.900 4.125 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.541 3.555 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.280 5.244 -8.991 1.00 0.00 H new ATOM 185 N PHE A 69 -8.407 5.912 -5.225 1.00 0.00 N ATOM 186 CA PHE A 69 -9.626 6.104 -4.387 1.00 0.00 C ATOM 187 C PHE A 69 -10.561 7.040 -5.124 1.00 0.00 C ATOM 188 O PHE A 69 -11.754 6.830 -5.174 1.00 0.00 O ATOM 189 CB PHE A 69 -9.252 6.722 -3.019 1.00 0.00 C ATOM 190 CG PHE A 69 -10.526 6.883 -2.166 1.00 0.00 C ATOM 191 CD1 PHE A 69 -11.010 5.821 -1.423 1.00 0.00 C ATOM 192 CD2 PHE A 69 -11.207 8.089 -2.130 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.152 5.961 -0.661 1.00 0.00 C ATOM 194 CE2 PHE A 69 -12.348 8.230 -1.368 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.821 7.166 -0.634 1.00 0.00 C ATOM 0 H PHE A 69 -7.521 6.127 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.104 5.141 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.534 6.085 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.773 7.690 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.490 4.875 -1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.841 8.927 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.522 5.126 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.870 9.175 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.715 7.275 -0.038 1.00 0.00 H new ATOM 205 N ILE A 70 -9.979 8.050 -5.694 1.00 0.00 N ATOM 206 CA ILE A 70 -10.789 9.039 -6.446 1.00 0.00 C ATOM 207 C ILE A 70 -11.368 8.421 -7.708 1.00 0.00 C ATOM 208 O ILE A 70 -12.543 8.527 -8.005 1.00 0.00 O ATOM 209 CB ILE A 70 -9.889 10.241 -6.765 1.00 0.00 C ATOM 210 CG1 ILE A 70 -9.510 10.826 -5.367 1.00 0.00 C ATOM 211 CG2 ILE A 70 -10.645 11.258 -7.652 1.00 0.00 C ATOM 212 CD1 ILE A 70 -9.351 12.335 -5.395 1.00 0.00 C ATOM 0 H ILE A 70 -8.976 8.234 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.638 9.367 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.997 9.974 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.280 10.558 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.580 10.372 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -9.994 12.105 -7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.941 10.778 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.533 11.609 -7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.088 12.692 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.562 12.605 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.289 12.794 -5.709 1.00 0.00 H new ATOM 224 N HIS A 71 -10.499 7.765 -8.415 1.00 0.00 N ATOM 225 CA HIS A 71 -10.926 7.114 -9.689 1.00 0.00 C ATOM 226 C HIS A 71 -11.975 6.023 -9.478 1.00 0.00 C ATOM 227 O HIS A 71 -12.797 5.785 -10.342 1.00 0.00 O ATOM 228 CB HIS A 71 -9.673 6.527 -10.375 1.00 0.00 C ATOM 229 CG HIS A 71 -8.648 7.646 -10.630 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.398 7.398 -10.888 1.00 0.00 N ATOM 231 CD2 HIS A 71 -8.864 9.007 -10.623 1.00 0.00 C ATOM 232 CE1 HIS A 71 -6.913 8.604 -11.026 1.00 0.00 C ATOM 233 NE2 HIS A 71 -7.736 9.611 -10.880 1.00 0.00 N ATOM 0 H HIS A 71 -9.515 7.648 -8.172 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.398 7.870 -10.317 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.232 5.753 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.951 6.054 -11.317 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.810 9.493 -10.436 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.869 8.764 -11.253 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.545 10.611 -10.949 1.00 0.00 H new ATOM 241 N PHE A 72 -11.946 5.394 -8.333 1.00 0.00 N ATOM 242 CA PHE A 72 -12.919 4.316 -8.046 1.00 0.00 C ATOM 243 C PHE A 72 -14.124 4.953 -7.395 1.00 0.00 C ATOM 244 O PHE A 72 -15.239 4.559 -7.674 1.00 0.00 O ATOM 245 CB PHE A 72 -12.276 3.270 -7.098 1.00 0.00 C ATOM 246 CG PHE A 72 -11.312 2.324 -7.856 1.00 0.00 C ATOM 247 CD1 PHE A 72 -10.296 2.809 -8.662 1.00 0.00 C ATOM 248 CD2 PHE A 72 -11.455 0.951 -7.732 1.00 0.00 C ATOM 249 CE1 PHE A 72 -9.445 1.950 -9.326 1.00 0.00 C ATOM 250 CE2 PHE A 72 -10.602 0.091 -8.398 1.00 0.00 C ATOM 251 CZ PHE A 72 -9.597 0.590 -9.196 1.00 0.00 C ATOM 0 H PHE A 72 -11.282 5.587 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.215 3.803 -8.961 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.733 3.784 -6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.060 2.683 -6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.168 3.876 -8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.240 0.549 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.657 2.347 -9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.724 -0.977 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.932 -0.083 -9.717 1.00 0.00 H new ATOM 261 N ARG A 73 -13.881 5.925 -6.551 1.00 0.00 N ATOM 262 CA ARG A 73 -15.041 6.575 -5.886 1.00 0.00 C ATOM 263 C ARG A 73 -15.924 7.211 -6.954 1.00 0.00 C ATOM 264 O ARG A 73 -17.136 7.099 -6.924 1.00 0.00 O ATOM 265 CB ARG A 73 -14.568 7.671 -4.886 1.00 0.00 C ATOM 266 CG ARG A 73 -15.823 8.370 -4.282 1.00 0.00 C ATOM 267 CD ARG A 73 -15.422 9.382 -3.193 1.00 0.00 C ATOM 268 NE ARG A 73 -16.635 10.162 -2.775 1.00 0.00 N ATOM 269 CZ ARG A 73 -17.653 9.566 -2.216 1.00 0.00 C ATOM 270 NH1 ARG A 73 -17.584 9.278 -0.951 1.00 0.00 N ATOM 271 NH2 ARG A 73 -18.697 9.285 -2.943 1.00 0.00 N ATOM 0 H ARG A 73 -12.959 6.285 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.597 5.821 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.966 7.226 -4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.937 8.400 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.375 8.880 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.492 7.621 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.996 8.862 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.654 10.056 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.664 11.170 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.748 9.518 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.366 8.812 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.710 9.531 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.501 8.819 -2.522 1.00 0.00 H new ATOM 285 N ILE A 74 -15.272 7.869 -7.870 1.00 0.00 N ATOM 286 CA ILE A 74 -16.005 8.537 -8.975 1.00 0.00 C ATOM 287 C ILE A 74 -16.385 7.479 -10.013 1.00 0.00 C ATOM 288 O ILE A 74 -17.489 7.466 -10.521 1.00 0.00 O ATOM 289 CB ILE A 74 -15.076 9.622 -9.575 1.00 0.00 C ATOM 290 CG1 ILE A 74 -14.803 10.677 -8.460 1.00 0.00 C ATOM 291 CG2 ILE A 74 -15.752 10.282 -10.797 1.00 0.00 C ATOM 292 CD1 ILE A 74 -13.942 11.839 -8.986 1.00 0.00 C ATOM 0 H ILE A 74 -14.258 7.972 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.921 9.015 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.138 9.183 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.750 11.065 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.298 10.199 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.091 11.043 -11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -15.953 9.525 -11.555 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -16.689 10.745 -10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.770 12.557 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.986 11.453 -9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.460 12.332 -9.809 1.00 0.00 H new