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= -11.7! C(o=-12!,f=-4.4!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 4.410 3.973 -0.413 1.00 0.00 N ATOM 14 CA ILE A 60 3.928 4.337 -1.786 1.00 0.00 C ATOM 15 C ILE A 60 2.783 3.444 -2.218 1.00 0.00 C ATOM 16 O ILE A 60 1.811 3.900 -2.802 1.00 0.00 O ATOM 17 CB ILE A 60 5.126 4.224 -2.767 1.00 0.00 C ATOM 18 CG1 ILE A 60 6.325 5.086 -2.260 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.710 4.697 -4.182 1.00 0.00 C ATOM 20 CD1 ILE A 60 5.936 6.577 -2.073 1.00 0.00 C ATOM 0 HA ILE A 60 3.547 5.358 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 60 5.432 3.179 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.684 4.684 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.149 5.013 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.560 4.612 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.892 4.076 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.385 5.736 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.802 7.137 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.602 6.988 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.131 6.654 -1.342 1.00 0.00 H new ATOM 32 N ILE A 61 2.931 2.194 -1.893 1.00 0.00 N ATOM 33 CA ILE A 61 1.902 1.211 -2.250 1.00 0.00 C ATOM 34 C ILE A 61 0.555 1.380 -1.540 1.00 0.00 C ATOM 35 O ILE A 61 -0.318 0.540 -1.606 1.00 0.00 O ATOM 36 CB ILE A 61 2.520 -0.168 -1.991 1.00 0.00 C ATOM 37 CG1 ILE A 61 3.166 -0.304 -0.590 1.00 0.00 C ATOM 38 CG2 ILE A 61 3.606 -0.442 -3.057 1.00 0.00 C ATOM 39 CD1 ILE A 61 2.209 0.136 0.527 1.00 0.00 C ATOM 0 H ILE A 61 3.734 1.816 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 61 1.633 1.353 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 61 1.705 -0.890 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.463 -1.340 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.074 0.298 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.051 -1.421 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.155 -0.422 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.379 0.324 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.702 0.025 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.932 1.180 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.313 -0.484 0.503 1.00 0.00 H new ATOM 51 N ARG A 62 0.431 2.487 -0.868 1.00 0.00 N ATOM 52 CA ARG A 62 -0.809 2.826 -0.126 1.00 0.00 C ATOM 53 C ARG A 62 -1.097 4.276 -0.404 1.00 0.00 C ATOM 54 O ARG A 62 -2.230 4.665 -0.601 1.00 0.00 O ATOM 55 CB ARG A 62 -0.584 2.590 1.384 1.00 0.00 C ATOM 56 CG ARG A 62 -1.919 2.667 2.163 1.00 0.00 C ATOM 57 CD ARG A 62 -2.818 1.461 1.820 1.00 0.00 C ATOM 58 NE ARG A 62 -2.163 0.223 2.349 1.00 0.00 N ATOM 59 CZ ARG A 62 -2.767 -0.505 3.250 1.00 0.00 C ATOM 60 NH1 ARG A 62 -3.381 0.095 4.228 1.00 0.00 N ATOM 61 NH2 ARG A 62 -2.735 -1.801 3.142 1.00 0.00 N ATOM 0 H ARG A 62 1.164 3.193 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.649 2.206 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.125 1.614 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.111 3.334 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.720 2.686 3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.436 3.595 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.807 1.586 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.958 1.386 0.742 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.243 -0.053 2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.384 1.114 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.859 -0.453 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.243 -2.236 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.202 -2.382 3.838 1.00 0.00 H new ATOM 75 N ILE A 63 -0.065 5.055 -0.430 1.00 0.00 N ATOM 76 CA ILE A 63 -0.244 6.479 -0.695 1.00 0.00 C ATOM 77 C ILE A 63 -0.886 6.725 -2.069 1.00 0.00 C ATOM 78 O ILE A 63 -1.856 7.451 -2.180 1.00 0.00 O ATOM 79 CB ILE A 63 1.149 7.062 -0.527 1.00 0.00 C ATOM 80 CG1 ILE A 63 1.399 7.025 1.020 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.253 8.442 -1.151 1.00 0.00 C ATOM 82 CD1 ILE A 63 2.380 8.073 1.444 1.00 0.00 C ATOM 0 H ILE A 63 0.898 4.756 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.945 6.966 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 63 1.922 6.499 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.456 7.175 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.770 6.041 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.263 8.829 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.033 8.377 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.539 9.112 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.528 8.017 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.331 7.907 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.996 9.059 1.181 1.00 0.00 H new ATOM 94 N LEU A 64 -0.340 6.103 -3.083 1.00 0.00 N ATOM 95 CA LEU A 64 -0.920 6.314 -4.450 1.00 0.00 C ATOM 96 C LEU A 64 -2.340 5.754 -4.568 1.00 0.00 C ATOM 97 O LEU A 64 -3.203 6.276 -5.254 1.00 0.00 O ATOM 98 CB LEU A 64 -0.031 5.624 -5.510 1.00 0.00 C ATOM 99 CG LEU A 64 1.446 6.094 -5.426 1.00 0.00 C ATOM 100 CD1 LEU A 64 2.251 5.333 -6.496 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.561 7.611 -5.707 1.00 0.00 C ATOM 0 H LEU A 64 0.461 5.474 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.959 7.390 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.076 4.544 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.423 5.836 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 64 1.828 5.896 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.294 5.646 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.186 4.262 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.843 5.552 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.606 7.915 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.182 7.826 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.976 8.163 -4.971 1.00 0.00 H new ATOM 113 N GLN A 65 -2.531 4.689 -3.849 1.00 0.00 N ATOM 114 CA GLN A 65 -3.839 3.978 -3.837 1.00 0.00 C ATOM 115 C GLN A 65 -5.023 4.873 -3.489 1.00 0.00 C ATOM 116 O GLN A 65 -6.147 4.548 -3.810 1.00 0.00 O ATOM 117 CB GLN A 65 -3.662 2.809 -2.851 1.00 0.00 C ATOM 118 CG GLN A 65 -2.731 1.696 -3.474 1.00 0.00 C ATOM 119 CD GLN A 65 -1.477 2.269 -4.166 1.00 0.00 C ATOM 120 OE1 GLN A 65 -1.331 2.186 -5.367 1.00 0.00 O ATOM 121 NE2 GLN A 65 -0.556 2.865 -3.466 1.00 0.00 N ATOM 0 H GLN A 65 -1.818 4.269 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.091 3.623 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.229 3.174 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.634 2.382 -2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.421 1.008 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.304 1.116 -4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.657 2.947 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.267 3.250 -3.929 1.00 0.00 H new ATOM 130 N GLN A 66 -4.764 5.983 -2.861 1.00 0.00 N ATOM 131 CA GLN A 66 -5.861 6.905 -2.492 1.00 0.00 C ATOM 132 C GLN A 66 -6.416 7.617 -3.730 1.00 0.00 C ATOM 133 O GLN A 66 -7.589 7.915 -3.834 1.00 0.00 O ATOM 134 CB GLN A 66 -5.321 7.931 -1.537 1.00 0.00 C ATOM 135 CG GLN A 66 -5.095 7.372 -0.130 1.00 0.00 C ATOM 136 CD GLN A 66 -4.891 8.610 0.738 1.00 0.00 C ATOM 137 OE1 GLN A 66 -5.786 9.072 1.412 1.00 0.00 O ATOM 138 NE2 GLN A 66 -3.734 9.196 0.753 1.00 0.00 N ATOM 0 H GLN A 66 -3.831 6.290 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.667 6.333 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.379 8.320 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.014 8.770 -1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.950 6.786 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.226 6.715 -0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.967 8.824 0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.591 10.029 1.325 1.00 0.00 H new ATOM 147 N LEU A 67 -5.530 7.855 -4.653 1.00 0.00 N ATOM 148 CA LEU A 67 -5.941 8.556 -5.898 1.00 0.00 C ATOM 149 C LEU A 67 -6.723 7.565 -6.726 1.00 0.00 C ATOM 150 O LEU A 67 -7.787 7.835 -7.251 1.00 0.00 O ATOM 151 CB LEU A 67 -4.700 9.036 -6.663 1.00 0.00 C ATOM 152 CG LEU A 67 -3.965 10.134 -5.841 1.00 0.00 C ATOM 153 CD1 LEU A 67 -3.018 9.530 -4.780 1.00 0.00 C ATOM 154 CD2 LEU A 67 -3.180 11.029 -6.796 1.00 0.00 C ATOM 0 H LEU A 67 -4.545 7.596 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.550 9.432 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.029 8.197 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.992 9.432 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.714 10.718 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.527 10.333 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.593 8.915 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.265 8.914 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.662 11.801 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.451 10.429 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.866 11.497 -7.503 1.00 0.00 H new ATOM 166 N LEU A 68 -6.140 6.403 -6.788 1.00 0.00 N ATOM 167 CA LEU A 68 -6.775 5.305 -7.569 1.00 0.00 C ATOM 168 C LEU A 68 -8.108 5.020 -6.894 1.00 0.00 C ATOM 169 O LEU A 68 -9.111 4.762 -7.541 1.00 0.00 O ATOM 170 CB LEU A 68 -5.859 4.057 -7.530 1.00 0.00 C ATOM 171 CG LEU A 68 -4.381 4.418 -7.884 1.00 0.00 C ATOM 172 CD1 LEU A 68 -3.518 3.139 -7.866 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.285 5.062 -9.284 1.00 0.00 C ATOM 0 H LEU A 68 -5.257 6.165 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.924 5.575 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.897 3.608 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.230 3.310 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.021 5.131 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.487 3.392 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.553 2.690 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.903 2.430 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.245 5.303 -9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.661 4.364 -10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.881 5.974 -9.306 1.00 0.00 H new ATOM 185 N PHE A 69 -8.054 5.093 -5.586 1.00 0.00 N ATOM 186 CA PHE A 69 -9.286 4.839 -4.789 1.00 0.00 C ATOM 187 C PHE A 69 -10.330 5.777 -5.334 1.00 0.00 C ATOM 188 O PHE A 69 -11.400 5.356 -5.707 1.00 0.00 O ATOM 189 CB PHE A 69 -9.051 5.128 -3.281 1.00 0.00 C ATOM 190 CG PHE A 69 -10.377 4.974 -2.511 1.00 0.00 C ATOM 191 CD1 PHE A 69 -11.035 3.759 -2.490 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.927 6.050 -1.833 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.224 3.618 -1.804 1.00 0.00 C ATOM 194 CE2 PHE A 69 -12.116 5.910 -1.144 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.764 4.692 -1.130 1.00 0.00 C ATOM 0 H PHE A 69 -7.219 5.315 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.590 3.795 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.305 4.441 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.658 6.136 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.615 2.913 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.422 7.005 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.732 2.665 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.538 6.753 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.693 4.580 -0.591 1.00 0.00 H new ATOM 205 N ILE A 70 -9.989 7.024 -5.383 1.00 0.00 N ATOM 206 CA ILE A 70 -10.963 8.015 -5.910 1.00 0.00 C ATOM 207 C ILE A 70 -11.345 7.762 -7.370 1.00 0.00 C ATOM 208 O ILE A 70 -12.489 7.912 -7.752 1.00 0.00 O ATOM 209 CB ILE A 70 -10.341 9.405 -5.710 1.00 0.00 C ATOM 210 CG1 ILE A 70 -10.328 9.610 -4.155 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.164 10.484 -6.452 1.00 0.00 C ATOM 212 CD1 ILE A 70 -10.572 11.056 -3.755 1.00 0.00 C ATOM 0 H ILE A 70 -9.090 7.402 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.904 7.931 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.336 9.488 -6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -11.092 8.978 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.367 9.284 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.706 11.461 -6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.184 10.257 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.183 10.495 -6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.553 11.141 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.794 11.688 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.545 11.377 -4.127 1.00 0.00 H new ATOM 224 N HIS A 71 -10.393 7.375 -8.159 1.00 0.00 N ATOM 225 CA HIS A 71 -10.705 7.116 -9.601 1.00 0.00 C ATOM 226 C HIS A 71 -11.603 5.894 -9.818 1.00 0.00 C ATOM 227 O HIS A 71 -12.388 5.854 -10.748 1.00 0.00 O ATOM 228 CB HIS A 71 -9.377 6.926 -10.367 1.00 0.00 C ATOM 229 CG HIS A 71 -8.498 8.182 -10.229 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.221 8.161 -10.475 1.00 0.00 N ATOM 231 CD2 HIS A 71 -8.883 9.448 -9.848 1.00 0.00 C ATOM 232 CE1 HIS A 71 -6.885 9.402 -10.235 1.00 0.00 C ATOM 233 NE2 HIS A 71 -7.832 10.222 -9.857 1.00 0.00 N ATOM 0 H HIS A 71 -9.422 7.226 -7.883 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.259 7.977 -9.975 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.846 6.057 -9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.581 6.730 -11.420 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.886 9.750 -9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.864 9.737 -10.345 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.766 11.214 -9.628 1.00 0.00 H new ATOM 241 N PHE A 72 -11.488 4.928 -8.948 1.00 0.00 N ATOM 242 CA PHE A 72 -12.312 3.705 -9.088 1.00 0.00 C ATOM 243 C PHE A 72 -13.605 3.921 -8.338 1.00 0.00 C ATOM 244 O PHE A 72 -14.664 3.510 -8.773 1.00 0.00 O ATOM 245 CB PHE A 72 -11.525 2.503 -8.501 1.00 0.00 C ATOM 246 CG PHE A 72 -11.335 1.428 -9.585 1.00 0.00 C ATOM 247 CD1 PHE A 72 -12.430 0.859 -10.208 1.00 0.00 C ATOM 248 CD2 PHE A 72 -10.066 1.019 -9.956 1.00 0.00 C ATOM 249 CE1 PHE A 72 -12.263 -0.103 -11.182 1.00 0.00 C ATOM 250 CE2 PHE A 72 -9.893 0.058 -10.930 1.00 0.00 C ATOM 251 CZ PHE A 72 -10.993 -0.504 -11.545 1.00 0.00 C ATOM 0 H PHE A 72 -10.857 4.938 -8.147 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.536 3.495 -10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -10.555 2.836 -8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -12.063 2.084 -7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.426 1.171 -9.929 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.202 1.457 -9.478 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -13.126 -0.542 -11.661 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.898 -0.254 -11.211 1.00 0.00 H new ATOM 0 HZ PHE A 72 -10.861 -1.256 -12.309 1.00 0.00 H new ATOM 261 N ARG A 73 -13.468 4.586 -7.222 1.00 0.00 N ATOM 262 CA ARG A 73 -14.663 4.852 -6.392 1.00 0.00 C ATOM 263 C ARG A 73 -15.579 5.801 -7.162 1.00 0.00 C ATOM 264 O ARG A 73 -16.776 5.601 -7.186 1.00 0.00 O ATOM 265 CB ARG A 73 -14.206 5.460 -5.043 1.00 0.00 C ATOM 266 CG ARG A 73 -15.319 5.409 -3.964 1.00 0.00 C ATOM 267 CD ARG A 73 -15.625 3.939 -3.571 1.00 0.00 C ATOM 268 NE ARG A 73 -16.455 3.946 -2.328 1.00 0.00 N ATOM 269 CZ ARG A 73 -17.038 2.852 -1.921 1.00 0.00 C ATOM 270 NH1 ARG A 73 -16.317 1.950 -1.323 1.00 0.00 N ATOM 271 NH2 ARG A 73 -18.317 2.703 -2.124 1.00 0.00 N ATOM 0 H ARG A 73 -12.588 4.950 -6.858 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.215 3.937 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.330 4.921 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.902 6.495 -5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.006 5.970 -3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.223 5.887 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.155 3.433 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.698 3.390 -3.405 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.566 4.809 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.319 2.106 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.749 1.086 -0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.847 3.436 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.787 1.853 -1.812 1.00 0.00 H new ATOM 285 N ILE A 74 -15.008 6.811 -7.772 1.00 0.00 N ATOM 286 CA ILE A 74 -15.868 7.756 -8.544 1.00 0.00 C ATOM 287 C ILE A 74 -16.302 7.050 -9.831 1.00 0.00 C ATOM 288 O ILE A 74 -17.354 7.352 -10.360 1.00 0.00 O ATOM 289 CB ILE A 74 -15.065 9.059 -8.868 1.00 0.00 C ATOM 290 CG1 ILE A 74 -14.844 9.813 -7.520 1.00 0.00 C ATOM 291 CG2 ILE A 74 -15.865 9.957 -9.854 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.145 11.171 -7.735 1.00 0.00 C ATOM 0 H ILE A 74 -14.009 7.018 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.747 8.041 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.112 8.814 -9.338 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.805 9.972 -7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.243 9.196 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.293 10.860 -10.070 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.044 9.411 -10.780 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -16.819 10.231 -9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.009 11.666 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.173 11.010 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.759 11.798 -8.382 1.00 0.00 H new