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= -11.4! C(o=-11!,f=-9.9!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 71 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 4.376 2.654 -1.048 1.00 0.00 N ATOM 14 CA ILE A 60 3.785 3.055 -2.364 1.00 0.00 C ATOM 15 C ILE A 60 2.409 2.452 -2.635 1.00 0.00 C ATOM 16 O ILE A 60 1.487 3.149 -3.028 1.00 0.00 O ATOM 17 CB ILE A 60 4.772 2.643 -3.501 1.00 0.00 C ATOM 18 CG1 ILE A 60 6.233 3.124 -3.199 1.00 0.00 C ATOM 19 CG2 ILE A 60 4.298 3.254 -4.846 1.00 0.00 C ATOM 20 CD1 ILE A 60 6.306 4.642 -2.901 1.00 0.00 C ATOM 0 HA ILE A 60 3.639 4.135 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 60 4.778 1.555 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.626 2.570 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.872 2.893 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.988 2.966 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.300 2.885 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.273 4.341 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.339 4.924 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.940 5.200 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.690 4.872 -2.032 1.00 0.00 H new ATOM 32 N ILE A 61 2.294 1.175 -2.396 1.00 0.00 N ATOM 33 CA ILE A 61 0.998 0.511 -2.648 1.00 0.00 C ATOM 34 C ILE A 61 -0.179 0.981 -1.800 1.00 0.00 C ATOM 35 O ILE A 61 -1.278 0.489 -1.946 1.00 0.00 O ATOM 36 CB ILE A 61 1.177 -1.027 -2.486 1.00 0.00 C ATOM 37 CG1 ILE A 61 2.321 -1.426 -1.518 1.00 0.00 C ATOM 38 CG2 ILE A 61 1.331 -1.690 -3.882 1.00 0.00 C ATOM 39 CD1 ILE A 61 3.707 -1.500 -2.220 1.00 0.00 C ATOM 0 H ILE A 61 3.037 0.573 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 61 0.728 0.793 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 61 0.273 -1.408 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.370 -0.704 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.092 -2.394 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.456 -2.766 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.441 -1.492 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.205 -1.277 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.468 -1.784 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.672 -2.243 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.953 -0.526 -2.642 1.00 0.00 H new ATOM 51 N ARG A 62 0.069 1.919 -0.940 1.00 0.00 N ATOM 52 CA ARG A 62 -0.992 2.482 -0.062 1.00 0.00 C ATOM 53 C ARG A 62 -0.949 3.980 -0.222 1.00 0.00 C ATOM 54 O ARG A 62 -1.969 4.640 -0.209 1.00 0.00 O ATOM 55 CB ARG A 62 -0.734 2.096 1.425 1.00 0.00 C ATOM 56 CG ARG A 62 -1.621 0.914 1.906 1.00 0.00 C ATOM 57 CD ARG A 62 -1.285 -0.410 1.201 1.00 0.00 C ATOM 58 NE ARG A 62 -2.073 -1.499 1.861 1.00 0.00 N ATOM 59 CZ ARG A 62 -3.202 -1.900 1.346 1.00 0.00 C ATOM 60 NH1 ARG A 62 -4.290 -1.230 1.598 1.00 0.00 N ATOM 61 NH2 ARG A 62 -3.204 -2.961 0.596 1.00 0.00 N ATOM 0 H ARG A 62 0.991 2.334 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.969 2.086 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.316 1.830 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.920 2.964 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.498 0.788 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.669 1.158 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.531 -0.350 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.217 -0.618 1.269 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.725 -1.929 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.253 -0.402 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.179 -1.533 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.334 -3.463 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.076 -3.292 0.183 1.00 0.00 H new ATOM 75 N ILE A 63 0.235 4.483 -0.391 1.00 0.00 N ATOM 76 CA ILE A 63 0.409 5.921 -0.551 1.00 0.00 C ATOM 77 C ILE A 63 -0.319 6.499 -1.768 1.00 0.00 C ATOM 78 O ILE A 63 -1.007 7.492 -1.628 1.00 0.00 O ATOM 79 CB ILE A 63 1.920 6.111 -0.565 1.00 0.00 C ATOM 80 CG1 ILE A 63 2.290 6.018 0.944 1.00 0.00 C ATOM 81 CG2 ILE A 63 2.323 7.445 -1.189 1.00 0.00 C ATOM 82 CD1 ILE A 63 3.735 6.273 1.151 1.00 0.00 C ATOM 0 H ILE A 63 1.097 3.938 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.054 6.486 0.258 1.00 0.00 H new ATOM 0 HB ILE A 63 2.444 5.375 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.704 6.741 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.033 5.030 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.409 7.538 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.965 7.488 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.883 8.262 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.968 6.202 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.317 5.533 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.984 7.271 0.791 1.00 0.00 H new ATOM 94 N LEU A 64 -0.185 5.893 -2.926 1.00 0.00 N ATOM 95 CA LEU A 64 -0.909 6.496 -4.091 1.00 0.00 C ATOM 96 C LEU A 64 -2.327 5.941 -4.291 1.00 0.00 C ATOM 97 O LEU A 64 -3.112 6.485 -5.050 1.00 0.00 O ATOM 98 CB LEU A 64 -0.009 6.305 -5.374 1.00 0.00 C ATOM 99 CG LEU A 64 0.352 4.843 -5.735 1.00 0.00 C ATOM 100 CD1 LEU A 64 -0.803 4.177 -6.502 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.606 4.841 -6.639 1.00 0.00 C ATOM 0 H LEU A 64 0.363 5.053 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.065 7.556 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.523 6.753 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.917 6.863 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 64 0.539 4.291 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.532 3.150 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.700 4.177 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.997 4.731 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.867 3.815 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.399 5.403 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.438 5.304 -6.108 1.00 0.00 H new ATOM 113 N GLN A 65 -2.642 4.878 -3.593 1.00 0.00 N ATOM 114 CA GLN A 65 -3.999 4.264 -3.717 1.00 0.00 C ATOM 115 C GLN A 65 -5.099 5.242 -3.357 1.00 0.00 C ATOM 116 O GLN A 65 -6.241 5.073 -3.726 1.00 0.00 O ATOM 117 CB GLN A 65 -4.051 3.048 -2.791 1.00 0.00 C ATOM 118 CG GLN A 65 -3.459 1.816 -3.495 1.00 0.00 C ATOM 119 CD GLN A 65 -2.141 2.120 -4.206 1.00 0.00 C ATOM 120 OE1 GLN A 65 -2.000 1.846 -5.376 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.155 2.680 -3.569 1.00 0.00 N ATOM 0 H GLN A 65 -2.015 4.408 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.165 3.972 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.495 3.255 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.082 2.848 -2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.298 1.026 -2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.179 1.436 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.255 2.918 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.282 2.881 -4.056 1.00 0.00 H new ATOM 130 N GLN A 66 -4.709 6.260 -2.658 1.00 0.00 N ATOM 131 CA GLN A 66 -5.666 7.286 -2.225 1.00 0.00 C ATOM 132 C GLN A 66 -6.119 8.129 -3.398 1.00 0.00 C ATOM 133 O GLN A 66 -7.233 8.614 -3.419 1.00 0.00 O ATOM 134 CB GLN A 66 -4.960 8.116 -1.170 1.00 0.00 C ATOM 135 CG GLN A 66 -4.533 7.230 0.035 1.00 0.00 C ATOM 136 CD GLN A 66 -4.314 8.152 1.236 1.00 0.00 C ATOM 137 OE1 GLN A 66 -5.247 8.780 1.684 1.00 0.00 O ATOM 138 NE2 GLN A 66 -3.152 8.295 1.805 1.00 0.00 N ATOM 0 H GLN A 66 -3.746 6.423 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.570 6.838 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.082 8.594 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.620 8.913 -0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.302 6.490 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.620 6.682 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.345 7.781 1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.049 8.921 2.603 1.00 0.00 H new ATOM 147 N LEU A 67 -5.246 8.272 -4.354 1.00 0.00 N ATOM 148 CA LEU A 67 -5.608 9.086 -5.540 1.00 0.00 C ATOM 149 C LEU A 67 -6.418 8.223 -6.476 1.00 0.00 C ATOM 150 O LEU A 67 -7.438 8.640 -6.993 1.00 0.00 O ATOM 151 CB LEU A 67 -4.346 9.577 -6.254 1.00 0.00 C ATOM 152 CG LEU A 67 -3.601 10.568 -5.329 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.667 9.841 -4.343 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.809 11.552 -6.185 1.00 0.00 C ATOM 0 H LEU A 67 -4.310 7.866 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.186 9.956 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.701 8.734 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.609 10.063 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.340 11.105 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.163 10.573 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.252 9.165 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.924 9.269 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.281 12.254 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.088 11.006 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.491 12.100 -6.835 1.00 0.00 H new ATOM 166 N LEU A 68 -5.948 7.018 -6.666 1.00 0.00 N ATOM 167 CA LEU A 68 -6.748 6.160 -7.594 1.00 0.00 C ATOM 168 C LEU A 68 -8.025 5.757 -6.906 1.00 0.00 C ATOM 169 O LEU A 68 -9.002 5.463 -7.568 1.00 0.00 O ATOM 170 CB LEU A 68 -5.927 4.937 -8.043 1.00 0.00 C ATOM 171 CG LEU A 68 -5.298 4.190 -6.913 1.00 0.00 C ATOM 172 CD1 LEU A 68 -6.289 3.184 -6.285 1.00 0.00 C ATOM 173 CD2 LEU A 68 -4.072 3.481 -7.489 1.00 0.00 C ATOM 0 H LEU A 68 -5.108 6.611 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.000 6.720 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.575 4.259 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.146 5.266 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.010 4.869 -6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.801 2.656 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.159 3.719 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.607 2.466 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.573 2.918 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.384 2.799 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.383 4.220 -7.898 1.00 0.00 H new ATOM 185 N PHE A 69 -7.986 5.762 -5.594 1.00 0.00 N ATOM 186 CA PHE A 69 -9.209 5.391 -4.823 1.00 0.00 C ATOM 187 C PHE A 69 -10.323 6.246 -5.395 1.00 0.00 C ATOM 188 O PHE A 69 -11.364 5.752 -5.776 1.00 0.00 O ATOM 189 CB PHE A 69 -8.992 5.702 -3.322 1.00 0.00 C ATOM 190 CG PHE A 69 -10.310 5.658 -2.534 1.00 0.00 C ATOM 191 CD1 PHE A 69 -11.058 4.498 -2.468 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.757 6.788 -1.873 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.236 4.469 -1.750 1.00 0.00 C ATOM 194 CE2 PHE A 69 -11.936 6.759 -1.157 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.675 5.599 -1.094 1.00 0.00 C ATOM 0 H PHE A 69 -7.170 6.004 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.445 4.330 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.291 4.982 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.538 6.688 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.719 3.610 -2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.179 7.699 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.815 3.559 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.279 7.646 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.597 5.575 -0.532 1.00 0.00 H new ATOM 205 N ILE A 70 -10.031 7.514 -5.448 1.00 0.00 N ATOM 206 CA ILE A 70 -11.005 8.507 -5.980 1.00 0.00 C ATOM 207 C ILE A 70 -11.510 8.164 -7.373 1.00 0.00 C ATOM 208 O ILE A 70 -12.697 8.056 -7.604 1.00 0.00 O ATOM 209 CB ILE A 70 -10.321 9.873 -5.943 1.00 0.00 C ATOM 210 CG1 ILE A 70 -10.166 10.144 -4.416 1.00 0.00 C ATOM 211 CG2 ILE A 70 -11.208 10.952 -6.622 1.00 0.00 C ATOM 212 CD1 ILE A 70 -9.819 11.569 -4.167 1.00 0.00 C ATOM 0 H ILE A 70 -9.144 7.911 -5.140 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.900 8.505 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.372 9.899 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -11.094 9.895 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.390 9.498 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.701 11.916 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.385 10.676 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.161 11.022 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.716 11.736 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.878 11.807 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.609 12.210 -4.560 1.00 0.00 H new ATOM 224 N HIS A 71 -10.593 7.987 -8.272 1.00 0.00 N ATOM 225 CA HIS A 71 -11.000 7.652 -9.681 1.00 0.00 C ATOM 226 C HIS A 71 -11.919 6.426 -9.774 1.00 0.00 C ATOM 227 O HIS A 71 -12.812 6.360 -10.601 1.00 0.00 O ATOM 228 CB HIS A 71 -9.728 7.412 -10.511 1.00 0.00 C ATOM 229 CG HIS A 71 -8.859 8.673 -10.490 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.609 8.652 -10.845 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.223 9.946 -10.115 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.269 9.904 -10.672 1.00 0.00 C ATOM 233 NE2 HIS A 71 -8.186 10.729 -10.237 1.00 0.00 N ATOM 0 H HIS A 71 -9.589 8.056 -8.109 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.574 8.494 -10.068 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.171 6.567 -10.106 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.993 7.157 -11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.203 10.247 -9.776 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.266 10.244 -10.881 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.110 11.728 -10.043 1.00 0.00 H new ATOM 241 N PHE A 72 -11.681 5.488 -8.897 1.00 0.00 N ATOM 242 CA PHE A 72 -12.515 4.260 -8.920 1.00 0.00 C ATOM 243 C PHE A 72 -13.787 4.566 -8.174 1.00 0.00 C ATOM 244 O PHE A 72 -14.847 4.083 -8.509 1.00 0.00 O ATOM 245 CB PHE A 72 -11.783 3.099 -8.229 1.00 0.00 C ATOM 246 CG PHE A 72 -10.648 2.525 -9.102 1.00 0.00 C ATOM 247 CD1 PHE A 72 -9.656 3.323 -9.653 1.00 0.00 C ATOM 248 CD2 PHE A 72 -10.608 1.165 -9.344 1.00 0.00 C ATOM 249 CE1 PHE A 72 -8.653 2.773 -10.425 1.00 0.00 C ATOM 250 CE2 PHE A 72 -9.606 0.615 -10.114 1.00 0.00 C ATOM 251 CZ PHE A 72 -8.627 1.418 -10.656 1.00 0.00 C ATOM 0 H PHE A 72 -10.957 5.520 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.722 3.966 -9.949 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.371 3.444 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -12.496 2.308 -7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.669 4.388 -9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.371 0.526 -8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.888 3.407 -10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.588 -0.450 -10.293 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.843 0.985 -11.259 1.00 0.00 H new ATOM 261 N ARG A 73 -13.625 5.389 -7.174 1.00 0.00 N ATOM 262 CA ARG A 73 -14.783 5.778 -6.341 1.00 0.00 C ATOM 263 C ARG A 73 -15.807 6.426 -7.271 1.00 0.00 C ATOM 264 O ARG A 73 -16.997 6.195 -7.182 1.00 0.00 O ATOM 265 CB ARG A 73 -14.354 6.789 -5.255 1.00 0.00 C ATOM 266 CG ARG A 73 -15.050 6.495 -3.896 1.00 0.00 C ATOM 267 CD ARG A 73 -16.557 6.137 -4.015 1.00 0.00 C ATOM 268 NE ARG A 73 -17.309 7.254 -4.658 1.00 0.00 N ATOM 269 CZ ARG A 73 -17.762 8.223 -3.915 1.00 0.00 C ATOM 270 NH1 ARG A 73 -18.751 7.970 -3.106 1.00 0.00 N ATOM 271 NH2 ARG A 73 -17.210 9.395 -4.010 1.00 0.00 N ATOM 0 H ARG A 73 -12.735 5.807 -6.902 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.201 4.905 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.272 6.750 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.600 7.800 -5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.530 5.672 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.945 7.367 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.675 5.226 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.968 5.935 -3.026 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.466 7.259 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.150 7.032 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.126 8.710 -2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.436 9.543 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.550 10.167 -3.437 1.00 0.00 H new ATOM 285 N ILE A 74 -15.283 7.242 -8.143 1.00 0.00 N ATOM 286 CA ILE A 74 -16.125 7.957 -9.143 1.00 0.00 C ATOM 287 C ILE A 74 -16.587 6.909 -10.160 1.00 0.00 C ATOM 288 O ILE A 74 -17.752 6.826 -10.496 1.00 0.00 O ATOM 289 CB ILE A 74 -15.264 9.055 -9.818 1.00 0.00 C ATOM 290 CG1 ILE A 74 -14.904 10.113 -8.738 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.049 9.723 -10.973 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.002 11.217 -9.330 1.00 0.00 C ATOM 0 H ILE A 74 -14.286 7.447 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.991 8.439 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.359 8.615 -10.237 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.816 10.557 -8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.395 9.629 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.431 10.492 -11.436 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.312 8.971 -11.717 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -16.958 10.177 -10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.763 11.946 -8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.081 10.772 -9.706 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.524 11.714 -10.148 1.00 0.00 H new