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= -11.3! C(o=-11!,f=-6.4!) USER MOD Single : A 66 GLN : amide:sc= -0.662 K(o=-0.66,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 3.848 2.558 -0.716 1.00 0.00 N ATOM 14 CA ILE A 60 3.419 2.948 -2.097 1.00 0.00 C ATOM 15 C ILE A 60 2.057 2.374 -2.484 1.00 0.00 C ATOM 16 O ILE A 60 1.305 3.003 -3.212 1.00 0.00 O ATOM 17 CB ILE A 60 4.558 2.484 -3.075 1.00 0.00 C ATOM 18 CG1 ILE A 60 4.359 3.035 -4.513 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.679 0.946 -3.130 1.00 0.00 C ATOM 20 CD1 ILE A 60 4.545 4.574 -4.520 1.00 0.00 C ATOM 0 HA ILE A 60 3.280 4.028 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 60 5.482 2.897 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.074 2.571 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.363 2.779 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.478 0.668 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.907 0.563 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.738 0.519 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.404 4.953 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.812 5.032 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.550 4.821 -4.177 1.00 0.00 H new ATOM 32 N ILE A 61 1.769 1.209 -1.966 1.00 0.00 N ATOM 33 CA ILE A 61 0.479 0.576 -2.289 1.00 0.00 C ATOM 34 C ILE A 61 -0.712 1.323 -1.718 1.00 0.00 C ATOM 35 O ILE A 61 -1.841 1.018 -2.034 1.00 0.00 O ATOM 36 CB ILE A 61 0.456 -0.884 -1.780 1.00 0.00 C ATOM 37 CG1 ILE A 61 1.347 -1.125 -0.541 1.00 0.00 C ATOM 38 CG2 ILE A 61 0.771 -1.859 -2.942 1.00 0.00 C ATOM 39 CD1 ILE A 61 2.814 -1.454 -0.923 1.00 0.00 C ATOM 0 H ILE A 61 2.374 0.679 -1.338 1.00 0.00 H new ATOM 0 HA ILE A 61 0.390 0.602 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.555 -1.086 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.330 -0.239 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.934 -1.946 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.752 -2.884 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.024 -1.743 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.759 -1.637 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.399 -1.615 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.837 -2.356 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.239 -0.623 -1.486 1.00 0.00 H new ATOM 51 N ARG A 62 -0.450 2.283 -0.888 1.00 0.00 N ATOM 52 CA ARG A 62 -1.552 3.078 -0.298 1.00 0.00 C ATOM 53 C ARG A 62 -1.393 4.490 -0.754 1.00 0.00 C ATOM 54 O ARG A 62 -2.344 5.123 -1.163 1.00 0.00 O ATOM 55 CB ARG A 62 -1.524 3.030 1.245 1.00 0.00 C ATOM 56 CG ARG A 62 -2.164 1.701 1.708 1.00 0.00 C ATOM 57 CD ARG A 62 -2.625 1.827 3.178 1.00 0.00 C ATOM 58 NE ARG A 62 -3.637 2.929 3.289 1.00 0.00 N ATOM 59 CZ ARG A 62 -4.797 2.840 2.693 1.00 0.00 C ATOM 60 NH1 ARG A 62 -5.662 1.972 3.140 1.00 0.00 N ATOM 61 NH2 ARG A 62 -5.045 3.623 1.676 1.00 0.00 N ATOM 0 H ARG A 62 0.487 2.554 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.506 2.662 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.499 3.103 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.070 3.878 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.013 1.454 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.445 0.887 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.057 0.886 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.771 2.036 3.822 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.417 3.760 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.426 1.382 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.574 1.884 2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.339 4.288 1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.944 3.569 1.198 1.00 0.00 H new ATOM 75 N ILE A 63 -0.182 4.943 -0.708 1.00 0.00 N ATOM 76 CA ILE A 63 0.105 6.315 -1.115 1.00 0.00 C ATOM 77 C ILE A 63 -0.468 6.673 -2.482 1.00 0.00 C ATOM 78 O ILE A 63 -1.111 7.697 -2.629 1.00 0.00 O ATOM 79 CB ILE A 63 1.623 6.409 -1.012 1.00 0.00 C ATOM 80 CG1 ILE A 63 1.942 6.420 0.525 1.00 0.00 C ATOM 81 CG2 ILE A 63 2.163 7.590 -1.794 1.00 0.00 C ATOM 82 CD1 ILE A 63 3.107 7.314 0.862 1.00 0.00 C ATOM 0 H ILE A 63 0.628 4.405 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.383 7.056 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 63 2.132 5.563 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.061 6.753 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.159 5.404 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.248 7.625 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.896 7.483 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.734 8.512 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.287 7.287 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.996 6.967 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.881 8.336 0.558 1.00 0.00 H new ATOM 94 N LEU A 64 -0.235 5.826 -3.446 1.00 0.00 N ATOM 95 CA LEU A 64 -0.784 6.161 -4.796 1.00 0.00 C ATOM 96 C LEU A 64 -2.284 5.873 -4.835 1.00 0.00 C ATOM 97 O LEU A 64 -3.080 6.544 -5.468 1.00 0.00 O ATOM 98 CB LEU A 64 -0.115 5.306 -5.892 1.00 0.00 C ATOM 99 CG LEU A 64 1.432 5.342 -5.830 1.00 0.00 C ATOM 100 CD1 LEU A 64 1.959 4.414 -6.942 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.972 6.774 -6.073 1.00 0.00 C ATOM 0 H LEU A 64 0.287 4.953 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.586 7.217 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.453 4.274 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.442 5.659 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 64 1.764 5.021 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.049 4.414 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.594 3.401 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.607 4.770 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.061 6.766 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.657 7.120 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.579 7.445 -5.310 1.00 0.00 H new ATOM 113 N GLN A 65 -2.622 4.855 -4.101 1.00 0.00 N ATOM 114 CA GLN A 65 -4.032 4.412 -4.032 1.00 0.00 C ATOM 115 C GLN A 65 -4.971 5.436 -3.462 1.00 0.00 C ATOM 116 O GLN A 65 -6.162 5.311 -3.642 1.00 0.00 O ATOM 117 CB GLN A 65 -4.049 3.117 -3.230 1.00 0.00 C ATOM 118 CG GLN A 65 -3.536 1.956 -4.142 1.00 0.00 C ATOM 119 CD GLN A 65 -2.149 2.237 -4.754 1.00 0.00 C ATOM 120 OE1 GLN A 65 -1.932 2.050 -5.931 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.176 2.693 -4.021 1.00 0.00 N ATOM 0 H GLN A 65 -1.971 4.306 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.405 4.257 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.417 3.211 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.058 2.903 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.490 1.037 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.254 1.788 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.323 2.862 -3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.266 2.881 -4.441 1.00 0.00 H new ATOM 130 N GLN A 66 -4.456 6.425 -2.795 1.00 0.00 N ATOM 131 CA GLN A 66 -5.351 7.455 -2.228 1.00 0.00 C ATOM 132 C GLN A 66 -5.917 8.241 -3.406 1.00 0.00 C ATOM 133 O GLN A 66 -6.993 8.806 -3.339 1.00 0.00 O ATOM 134 CB GLN A 66 -4.498 8.317 -1.306 1.00 0.00 C ATOM 135 CG GLN A 66 -4.126 7.521 -0.031 1.00 0.00 C ATOM 136 CD GLN A 66 -3.198 8.318 0.893 1.00 0.00 C ATOM 137 OE1 GLN A 66 -3.145 8.084 2.079 1.00 0.00 O ATOM 138 NE2 GLN A 66 -2.440 9.265 0.425 1.00 0.00 N ATOM 0 H GLN A 66 -3.460 6.562 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.183 7.052 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.593 8.633 -1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.042 9.222 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.035 7.256 0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.640 6.587 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.459 9.489 -0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.826 9.784 1.053 1.00 0.00 H new ATOM 147 N LEU A 67 -5.157 8.241 -4.466 1.00 0.00 N ATOM 148 CA LEU A 67 -5.588 8.957 -5.680 1.00 0.00 C ATOM 149 C LEU A 67 -6.456 7.964 -6.433 1.00 0.00 C ATOM 150 O LEU A 67 -7.578 8.258 -6.792 1.00 0.00 O ATOM 151 CB LEU A 67 -4.374 9.357 -6.525 1.00 0.00 C ATOM 152 CG LEU A 67 -3.548 10.410 -5.751 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.555 9.752 -4.771 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.804 11.293 -6.751 1.00 0.00 C ATOM 0 H LEU A 67 -4.254 7.772 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.125 9.876 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.761 8.482 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.699 9.763 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.231 11.016 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.994 10.526 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.103 9.149 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.865 9.116 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.219 12.039 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.139 10.677 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.523 11.794 -7.399 1.00 0.00 H new ATOM 166 N LEU A 68 -5.927 6.787 -6.643 1.00 0.00 N ATOM 167 CA LEU A 68 -6.731 5.752 -7.391 1.00 0.00 C ATOM 168 C LEU A 68 -8.080 5.570 -6.708 1.00 0.00 C ATOM 169 O LEU A 68 -9.080 5.294 -7.350 1.00 0.00 O ATOM 170 CB LEU A 68 -5.982 4.400 -7.402 1.00 0.00 C ATOM 171 CG LEU A 68 -4.495 4.591 -7.783 1.00 0.00 C ATOM 172 CD1 LEU A 68 -3.826 3.210 -7.910 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.327 5.351 -9.117 1.00 0.00 C ATOM 0 H LEU A 68 -4.998 6.494 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.875 6.090 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.052 3.934 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.458 3.723 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.026 5.184 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.777 3.337 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.896 2.683 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.331 2.631 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.266 5.461 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.812 4.792 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.784 6.337 -9.034 1.00 0.00 H new ATOM 185 N PHE A 69 -8.046 5.746 -5.412 1.00 0.00 N ATOM 186 CA PHE A 69 -9.289 5.605 -4.602 1.00 0.00 C ATOM 187 C PHE A 69 -10.380 6.442 -5.253 1.00 0.00 C ATOM 188 O PHE A 69 -11.501 6.012 -5.417 1.00 0.00 O ATOM 189 CB PHE A 69 -8.998 6.092 -3.165 1.00 0.00 C ATOM 190 CG PHE A 69 -10.258 6.032 -2.290 1.00 0.00 C ATOM 191 CD1 PHE A 69 -10.682 4.830 -1.757 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.977 7.182 -2.023 1.00 0.00 C ATOM 193 CE1 PHE A 69 -11.811 4.778 -0.966 1.00 0.00 C ATOM 194 CE2 PHE A 69 -12.107 7.131 -1.231 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.523 5.928 -0.703 1.00 0.00 C ATOM 0 H PHE A 69 -7.208 5.982 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.619 4.567 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.215 5.477 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.621 7.114 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.127 3.926 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.653 8.126 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.137 3.835 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.664 8.033 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.407 5.887 -0.083 1.00 0.00 H new ATOM 205 N ILE A 70 -9.995 7.625 -5.625 1.00 0.00 N ATOM 206 CA ILE A 70 -10.944 8.568 -6.272 1.00 0.00 C ATOM 207 C ILE A 70 -11.448 8.067 -7.612 1.00 0.00 C ATOM 208 O ILE A 70 -12.616 8.179 -7.922 1.00 0.00 O ATOM 209 CB ILE A 70 -10.233 9.919 -6.408 1.00 0.00 C ATOM 210 CG1 ILE A 70 -9.962 10.365 -4.930 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.134 10.913 -7.185 1.00 0.00 C ATOM 212 CD1 ILE A 70 -9.954 11.867 -4.788 1.00 0.00 C ATOM 0 H ILE A 70 -9.048 7.985 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.835 8.664 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.303 9.872 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.726 9.943 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.004 9.964 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.623 11.871 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.343 10.515 -8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.071 11.053 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.763 12.133 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.172 12.288 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.921 12.266 -5.093 1.00 0.00 H new ATOM 224 N HIS A 71 -10.561 7.517 -8.379 1.00 0.00 N ATOM 225 CA HIS A 71 -10.965 6.998 -9.725 1.00 0.00 C ATOM 226 C HIS A 71 -11.876 5.781 -9.628 1.00 0.00 C ATOM 227 O HIS A 71 -12.757 5.599 -10.449 1.00 0.00 O ATOM 228 CB HIS A 71 -9.705 6.631 -10.521 1.00 0.00 C ATOM 229 CG HIS A 71 -8.844 7.882 -10.746 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.664 7.811 -11.282 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.145 9.192 -10.442 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.301 9.068 -11.282 1.00 0.00 C ATOM 233 NE2 HIS A 71 -8.140 9.946 -10.795 1.00 0.00 N ATOM 0 H HIS A 71 -9.576 7.400 -8.143 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.525 7.785 -10.230 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.131 5.877 -9.983 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.985 6.195 -11.480 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.061 9.538 -9.987 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.340 9.371 -11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.036 10.957 -10.713 1.00 0.00 H new ATOM 241 N PHE A 72 -11.655 4.975 -8.624 1.00 0.00 N ATOM 242 CA PHE A 72 -12.495 3.762 -8.460 1.00 0.00 C ATOM 243 C PHE A 72 -13.750 4.182 -7.744 1.00 0.00 C ATOM 244 O PHE A 72 -14.814 3.662 -8.011 1.00 0.00 O ATOM 245 CB PHE A 72 -11.780 2.683 -7.609 1.00 0.00 C ATOM 246 CG PHE A 72 -10.813 1.813 -8.434 1.00 0.00 C ATOM 247 CD1 PHE A 72 -9.949 2.349 -9.374 1.00 0.00 C ATOM 248 CD2 PHE A 72 -10.804 0.444 -8.228 1.00 0.00 C ATOM 249 CE1 PHE A 72 -9.099 1.531 -10.092 1.00 0.00 C ATOM 250 CE2 PHE A 72 -9.955 -0.374 -8.942 1.00 0.00 C ATOM 251 CZ PHE A 72 -9.102 0.169 -9.874 1.00 0.00 C ATOM 0 H PHE A 72 -10.933 5.106 -7.916 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.702 3.334 -9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.228 3.169 -6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -12.527 2.043 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.940 3.415 -9.547 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.471 0.011 -7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.431 1.958 -10.825 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.960 -1.440 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.436 -0.470 -10.434 1.00 0.00 H new ATOM 261 N ARG A 73 -13.584 5.123 -6.850 1.00 0.00 N ATOM 262 CA ARG A 73 -14.771 5.587 -6.099 1.00 0.00 C ATOM 263 C ARG A 73 -15.728 6.304 -7.044 1.00 0.00 C ATOM 264 O ARG A 73 -16.906 6.012 -7.085 1.00 0.00 O ATOM 265 CB ARG A 73 -14.357 6.544 -4.956 1.00 0.00 C ATOM 266 CG ARG A 73 -15.630 6.811 -4.128 1.00 0.00 C ATOM 267 CD ARG A 73 -15.317 7.621 -2.868 1.00 0.00 C ATOM 268 NE ARG A 73 -16.549 7.616 -2.024 1.00 0.00 N ATOM 269 CZ ARG A 73 -16.868 6.529 -1.378 1.00 0.00 C ATOM 270 NH1 ARG A 73 -16.296 6.297 -0.233 1.00 0.00 N ATOM 271 NH2 ARG A 73 -17.740 5.719 -1.907 1.00 0.00 N ATOM 0 H ARG A 73 -12.700 5.575 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.266 4.719 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.579 6.097 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.952 7.474 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.356 7.349 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.089 5.863 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.478 7.183 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.032 8.641 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.132 8.450 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.615 6.958 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.529 5.454 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.159 5.940 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.003 4.863 -1.418 1.00 0.00 H new ATOM 285 N ILE A 74 -15.185 7.234 -7.782 1.00 0.00 N ATOM 286 CA ILE A 74 -16.032 7.988 -8.745 1.00 0.00 C ATOM 287 C ILE A 74 -16.405 6.981 -9.822 1.00 0.00 C ATOM 288 O ILE A 74 -17.561 6.846 -10.169 1.00 0.00 O ATOM 289 CB ILE A 74 -15.229 9.175 -9.366 1.00 0.00 C ATOM 290 CG1 ILE A 74 -15.015 10.254 -8.269 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.005 9.775 -10.578 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.263 11.482 -8.829 1.00 0.00 C ATOM 0 H ILE A 74 -14.201 7.501 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.911 8.417 -8.264 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.263 8.822 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.980 10.567 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.451 9.826 -7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.435 10.602 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.147 9.005 -11.336 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -16.977 10.138 -10.244 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.129 12.219 -8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.288 11.171 -9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.841 11.923 -9.641 1.00 0.00 H new