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= -11.1! C(o=-11!,f=-3.8!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 4.423 3.651 -0.608 1.00 0.00 N ATOM 14 CA ILE A 60 3.987 3.671 -2.043 1.00 0.00 C ATOM 15 C ILE A 60 2.677 2.912 -2.217 1.00 0.00 C ATOM 16 O ILE A 60 1.753 3.397 -2.846 1.00 0.00 O ATOM 17 CB ILE A 60 5.137 3.041 -2.914 1.00 0.00 C ATOM 18 CG1 ILE A 60 6.390 3.977 -3.007 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.660 2.763 -4.366 1.00 0.00 C ATOM 20 CD1 ILE A 60 7.101 4.208 -1.653 1.00 0.00 C ATOM 0 HA ILE A 60 3.805 4.695 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 60 5.407 2.111 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.102 3.546 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.082 4.940 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.478 2.328 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.821 2.068 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.346 3.698 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.958 4.866 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.406 4.668 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.441 3.253 -1.253 1.00 0.00 H new ATOM 32 N ILE A 61 2.612 1.749 -1.636 1.00 0.00 N ATOM 33 CA ILE A 61 1.374 0.947 -1.766 1.00 0.00 C ATOM 34 C ILE A 61 0.158 1.507 -1.024 1.00 0.00 C ATOM 35 O ILE A 61 -0.824 0.822 -0.821 1.00 0.00 O ATOM 36 CB ILE A 61 1.659 -0.516 -1.289 1.00 0.00 C ATOM 37 CG1 ILE A 61 2.848 -0.634 -0.301 1.00 0.00 C ATOM 38 CG2 ILE A 61 1.828 -1.449 -2.512 1.00 0.00 C ATOM 39 CD1 ILE A 61 4.233 -0.689 -1.009 1.00 0.00 C ATOM 0 H ILE A 61 3.356 1.325 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 61 1.105 0.980 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 61 0.789 -0.837 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.830 0.216 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.721 -1.532 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.026 -2.465 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.915 -1.438 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.662 -1.102 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.021 -0.771 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.269 -1.554 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.380 0.220 -1.592 1.00 0.00 H new ATOM 51 N ARG A 62 0.252 2.748 -0.640 1.00 0.00 N ATOM 52 CA ARG A 62 -0.852 3.431 0.077 1.00 0.00 C ATOM 53 C ARG A 62 -1.041 4.775 -0.553 1.00 0.00 C ATOM 54 O ARG A 62 -2.149 5.169 -0.857 1.00 0.00 O ATOM 55 CB ARG A 62 -0.496 3.598 1.570 1.00 0.00 C ATOM 56 CG ARG A 62 -0.398 2.225 2.258 1.00 0.00 C ATOM 57 CD ARG A 62 -1.789 1.580 2.305 1.00 0.00 C ATOM 58 NE ARG A 62 -1.660 0.235 2.928 1.00 0.00 N ATOM 59 CZ ARG A 62 -2.738 -0.464 3.136 1.00 0.00 C ATOM 60 NH1 ARG A 62 -3.486 -0.774 2.116 1.00 0.00 N ATOM 61 NH2 ARG A 62 -3.028 -0.822 4.352 1.00 0.00 N ATOM 0 H ARG A 62 1.073 3.331 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.767 2.843 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.451 4.128 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.254 4.206 2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.295 1.582 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.003 2.339 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.476 2.201 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.202 1.495 1.300 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.744 -0.132 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.222 -0.470 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.336 -1.321 2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.415 -0.555 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.868 -1.370 4.536 1.00 0.00 H new ATOM 75 N ILE A 63 0.039 5.453 -0.762 1.00 0.00 N ATOM 76 CA ILE A 63 -0.050 6.774 -1.370 1.00 0.00 C ATOM 77 C ILE A 63 -0.743 6.748 -2.741 1.00 0.00 C ATOM 78 O ILE A 63 -1.670 7.500 -2.982 1.00 0.00 O ATOM 79 CB ILE A 63 1.386 7.264 -1.398 1.00 0.00 C ATOM 80 CG1 ILE A 63 1.757 7.516 0.107 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.502 8.489 -2.281 1.00 0.00 C ATOM 82 CD1 ILE A 63 2.754 8.638 0.269 1.00 0.00 C ATOM 0 H ILE A 63 0.982 5.139 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.684 7.459 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 63 2.086 6.550 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.853 7.752 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.168 6.602 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.537 8.832 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.191 8.237 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.862 9.281 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.979 8.775 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.670 8.391 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.334 9.559 -0.134 1.00 0.00 H new ATOM 94 N LEU A 64 -0.291 5.874 -3.605 1.00 0.00 N ATOM 95 CA LEU A 64 -0.939 5.831 -4.956 1.00 0.00 C ATOM 96 C LEU A 64 -2.373 5.296 -4.901 1.00 0.00 C ATOM 97 O LEU A 64 -3.206 5.603 -5.735 1.00 0.00 O ATOM 98 CB LEU A 64 -0.092 4.936 -5.913 1.00 0.00 C ATOM 99 CG LEU A 64 1.300 5.554 -6.297 1.00 0.00 C ATOM 100 CD1 LEU A 64 1.130 6.934 -6.974 1.00 0.00 C ATOM 101 CD2 LEU A 64 2.238 5.704 -5.086 1.00 0.00 C ATOM 0 H LEU A 64 0.468 5.212 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.983 6.855 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.070 3.967 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.662 4.755 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 64 1.755 4.852 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.110 7.338 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.536 6.823 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.624 7.615 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.185 6.136 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.776 6.358 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.419 4.725 -4.642 1.00 0.00 H new ATOM 113 N GLN A 65 -2.633 4.520 -3.893 1.00 0.00 N ATOM 114 CA GLN A 65 -3.987 3.923 -3.735 1.00 0.00 C ATOM 115 C GLN A 65 -5.069 4.955 -3.505 1.00 0.00 C ATOM 116 O GLN A 65 -6.236 4.665 -3.665 1.00 0.00 O ATOM 117 CB GLN A 65 -3.877 2.929 -2.575 1.00 0.00 C ATOM 118 CG GLN A 65 -3.081 1.653 -3.019 1.00 0.00 C ATOM 119 CD GLN A 65 -1.776 1.986 -3.767 1.00 0.00 C ATOM 120 OE1 GLN A 65 -1.585 1.605 -4.902 1.00 0.00 O ATOM 121 NE2 GLN A 65 -0.844 2.695 -3.191 1.00 0.00 N ATOM 0 H GLN A 65 -1.963 4.270 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.292 3.425 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.376 3.401 -1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.873 2.644 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.846 1.054 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.715 1.041 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.975 3.030 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.015 2.914 -3.695 1.00 0.00 H new ATOM 130 N GLN A 66 -4.676 6.137 -3.147 1.00 0.00 N ATOM 131 CA GLN A 66 -5.666 7.204 -2.902 1.00 0.00 C ATOM 132 C GLN A 66 -6.234 7.772 -4.206 1.00 0.00 C ATOM 133 O GLN A 66 -7.391 8.126 -4.304 1.00 0.00 O ATOM 134 CB GLN A 66 -4.974 8.278 -2.129 1.00 0.00 C ATOM 135 CG GLN A 66 -4.587 7.791 -0.725 1.00 0.00 C ATOM 136 CD GLN A 66 -4.282 9.051 0.062 1.00 0.00 C ATOM 137 OE1 GLN A 66 -4.951 9.382 1.016 1.00 0.00 O ATOM 138 NE2 GLN A 66 -3.285 9.802 -0.294 1.00 0.00 N ATOM 0 H GLN A 66 -3.702 6.410 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.512 6.797 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.080 8.597 -2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.625 9.148 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.399 7.227 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.721 7.130 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.710 9.540 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.077 10.654 0.227 1.00 0.00 H new ATOM 147 N LEU A 67 -5.388 7.828 -5.193 1.00 0.00 N ATOM 148 CA LEU A 67 -5.833 8.377 -6.507 1.00 0.00 C ATOM 149 C LEU A 67 -6.788 7.380 -7.092 1.00 0.00 C ATOM 150 O LEU A 67 -7.827 7.714 -7.623 1.00 0.00 O ATOM 151 CB LEU A 67 -4.637 8.571 -7.408 1.00 0.00 C ATOM 152 CG LEU A 67 -3.868 9.813 -6.901 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.617 9.913 -7.719 1.00 0.00 C ATOM 154 CD2 LEU A 67 -4.674 11.132 -7.124 1.00 0.00 C ATOM 0 H LEU A 67 -4.416 7.521 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.319 9.346 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.996 7.690 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.954 8.712 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.681 9.699 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.039 10.779 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.022 9.009 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.878 10.024 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.096 11.979 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.869 11.264 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.620 11.075 -6.586 1.00 0.00 H new ATOM 166 N LEU A 68 -6.389 6.150 -6.955 1.00 0.00 N ATOM 167 CA LEU A 68 -7.235 5.053 -7.478 1.00 0.00 C ATOM 168 C LEU A 68 -8.456 5.041 -6.581 1.00 0.00 C ATOM 169 O LEU A 68 -9.560 4.840 -7.042 1.00 0.00 O ATOM 170 CB LEU A 68 -6.485 3.712 -7.372 1.00 0.00 C ATOM 171 CG LEU A 68 -5.061 3.813 -7.984 1.00 0.00 C ATOM 172 CD1 LEU A 68 -4.380 2.435 -7.883 1.00 0.00 C ATOM 173 CD2 LEU A 68 -5.121 4.241 -9.469 1.00 0.00 C ATOM 0 H LEU A 68 -5.520 5.860 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.496 5.195 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.413 3.414 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.050 2.935 -7.887 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.496 4.565 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.379 2.492 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.312 2.138 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.967 1.698 -8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.110 4.303 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.692 3.506 -10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.603 5.215 -9.548 1.00 0.00 H new ATOM 185 N PHE A 69 -8.224 5.267 -5.311 1.00 0.00 N ATOM 186 CA PHE A 69 -9.394 5.269 -4.375 1.00 0.00 C ATOM 187 C PHE A 69 -10.451 6.186 -4.963 1.00 0.00 C ATOM 188 O PHE A 69 -11.610 5.842 -5.040 1.00 0.00 O ATOM 189 CB PHE A 69 -8.998 5.790 -2.965 1.00 0.00 C ATOM 190 CG PHE A 69 -10.255 5.824 -2.078 1.00 0.00 C ATOM 191 CD1 PHE A 69 -10.824 4.654 -1.613 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.838 7.034 -1.744 1.00 0.00 C ATOM 193 CE1 PHE A 69 -11.959 4.695 -0.827 1.00 0.00 C ATOM 194 CE2 PHE A 69 -11.969 7.074 -0.959 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.532 5.904 -0.502 1.00 0.00 C ATOM 0 H PHE A 69 -7.311 5.444 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.763 4.250 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.241 5.143 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.562 6.786 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.379 3.703 -1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.402 7.955 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.398 3.777 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.414 8.024 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.421 5.934 0.110 1.00 0.00 H new ATOM 205 N ILE A 70 -10.013 7.330 -5.383 1.00 0.00 N ATOM 206 CA ILE A 70 -10.970 8.295 -5.974 1.00 0.00 C ATOM 207 C ILE A 70 -11.443 7.915 -7.373 1.00 0.00 C ATOM 208 O ILE A 70 -12.622 7.937 -7.667 1.00 0.00 O ATOM 209 CB ILE A 70 -10.292 9.671 -5.963 1.00 0.00 C ATOM 210 CG1 ILE A 70 -10.086 9.991 -4.443 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.192 10.712 -6.669 1.00 0.00 C ATOM 212 CD1 ILE A 70 -10.205 11.473 -4.139 1.00 0.00 C ATOM 0 H ILE A 70 -9.042 7.639 -5.344 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.881 8.299 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.344 9.692 -6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.823 9.443 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.103 9.637 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.702 11.685 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.362 10.405 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.147 10.780 -6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.054 11.639 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.450 12.022 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.197 11.824 -4.424 1.00 0.00 H new ATOM 224 N HIS A 71 -10.522 7.556 -8.209 1.00 0.00 N ATOM 225 CA HIS A 71 -10.896 7.177 -9.608 1.00 0.00 C ATOM 226 C HIS A 71 -11.694 5.878 -9.667 1.00 0.00 C ATOM 227 O HIS A 71 -12.361 5.606 -10.645 1.00 0.00 O ATOM 228 CB HIS A 71 -9.613 7.029 -10.446 1.00 0.00 C ATOM 229 CG HIS A 71 -8.794 8.328 -10.411 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.557 8.362 -10.805 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.188 9.575 -9.989 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.253 9.619 -10.608 1.00 0.00 C ATOM 233 NE2 HIS A 71 -8.183 10.399 -10.121 1.00 0.00 N ATOM 0 H HIS A 71 -9.526 7.505 -7.995 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.533 7.966 -10.008 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.014 6.204 -10.061 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.871 6.782 -11.476 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.167 9.831 -9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.269 9.999 -10.839 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.136 11.394 -9.901 1.00 0.00 H new ATOM 241 N PHE A 72 -11.612 5.112 -8.616 1.00 0.00 N ATOM 242 CA PHE A 72 -12.330 3.824 -8.555 1.00 0.00 C ATOM 243 C PHE A 72 -13.609 4.050 -7.786 1.00 0.00 C ATOM 244 O PHE A 72 -14.668 3.642 -8.227 1.00 0.00 O ATOM 245 CB PHE A 72 -11.483 2.751 -7.821 1.00 0.00 C ATOM 246 CG PHE A 72 -10.213 2.293 -8.580 1.00 0.00 C ATOM 247 CD1 PHE A 72 -9.557 3.069 -9.525 1.00 0.00 C ATOM 248 CD2 PHE A 72 -9.705 1.037 -8.300 1.00 0.00 C ATOM 249 CE1 PHE A 72 -8.428 2.599 -10.168 1.00 0.00 C ATOM 250 CE2 PHE A 72 -8.579 0.567 -8.941 1.00 0.00 C ATOM 251 CZ PHE A 72 -7.938 1.346 -9.876 1.00 0.00 C ATOM 0 H PHE A 72 -11.065 5.335 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.529 3.469 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.186 3.146 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -12.110 1.880 -7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.934 4.053 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.198 0.415 -7.568 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.929 3.216 -10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.199 -0.417 -8.708 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.056 0.977 -10.378 1.00 0.00 H new ATOM 261 N ARG A 73 -13.489 4.711 -6.657 1.00 0.00 N ATOM 262 CA ARG A 73 -14.726 4.935 -5.878 1.00 0.00 C ATOM 263 C ARG A 73 -15.662 5.813 -6.680 1.00 0.00 C ATOM 264 O ARG A 73 -16.853 5.568 -6.671 1.00 0.00 O ATOM 265 CB ARG A 73 -14.405 5.602 -4.508 1.00 0.00 C ATOM 266 CG ARG A 73 -15.654 5.481 -3.591 1.00 0.00 C ATOM 267 CD ARG A 73 -15.879 3.997 -3.193 1.00 0.00 C ATOM 268 NE ARG A 73 -17.229 3.859 -2.572 1.00 0.00 N ATOM 269 CZ ARG A 73 -17.620 2.689 -2.156 1.00 0.00 C ATOM 270 NH1 ARG A 73 -17.102 2.210 -1.064 1.00 0.00 N ATOM 271 NH2 ARG A 73 -18.510 2.031 -2.841 1.00 0.00 N ATOM 0 H ARG A 73 -12.626 5.086 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.201 3.974 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.547 5.117 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.141 6.650 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.519 6.089 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.533 5.865 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.801 3.356 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.108 3.674 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.838 4.671 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.404 2.749 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.394 1.295 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.895 2.433 -3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.822 1.114 -2.523 1.00 0.00 H new ATOM 285 N ILE A 74 -15.138 6.812 -7.348 1.00 0.00 N ATOM 286 CA ILE A 74 -16.049 7.675 -8.154 1.00 0.00 C ATOM 287 C ILE A 74 -16.476 6.806 -9.340 1.00 0.00 C ATOM 288 O ILE A 74 -17.617 6.837 -9.749 1.00 0.00 O ATOM 289 CB ILE A 74 -15.288 8.960 -8.623 1.00 0.00 C ATOM 290 CG1 ILE A 74 -15.009 9.811 -7.344 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.153 9.769 -9.627 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.378 11.179 -7.690 1.00 0.00 C ATOM 0 H ILE A 74 -14.149 7.061 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.915 8.019 -7.589 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.360 8.697 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.941 9.968 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.342 9.261 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.608 10.659 -9.942 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.374 9.151 -10.497 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.086 10.066 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.200 11.740 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.432 11.023 -8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.056 11.740 -8.333 1.00 0.00 H new