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= -12.3! C(o=-12!,f=-5.5!) USER MOD Single : A 66 GLN : amide:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 60 3.555 1.935 -1.344 1.00 0.00 N ATOM 14 CA ILE A 60 3.019 2.097 -2.740 1.00 0.00 C ATOM 15 C ILE A 60 1.543 1.731 -2.797 1.00 0.00 C ATOM 16 O ILE A 60 0.738 2.446 -3.370 1.00 0.00 O ATOM 17 CB ILE A 60 3.859 1.187 -3.692 1.00 0.00 C ATOM 18 CG1 ILE A 60 5.380 1.516 -3.573 1.00 0.00 C ATOM 19 CG2 ILE A 60 3.413 1.342 -5.168 1.00 0.00 C ATOM 20 CD1 ILE A 60 5.687 3.004 -3.874 1.00 0.00 C ATOM 0 HA ILE A 60 3.104 3.137 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 60 3.687 0.156 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.724 1.273 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.941 0.885 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.019 0.694 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.364 1.063 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.542 2.378 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.758 3.181 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.369 3.243 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.150 3.637 -3.167 1.00 0.00 H new ATOM 32 N ILE A 61 1.225 0.630 -2.176 1.00 0.00 N ATOM 33 CA ILE A 61 -0.179 0.173 -2.165 1.00 0.00 C ATOM 34 C ILE A 61 -1.059 0.984 -1.203 1.00 0.00 C ATOM 35 O ILE A 61 -2.062 0.520 -0.702 1.00 0.00 O ATOM 36 CB ILE A 61 -0.221 -1.346 -1.792 1.00 0.00 C ATOM 37 CG1 ILE A 61 0.980 -1.794 -0.920 1.00 0.00 C ATOM 38 CG2 ILE A 61 -0.366 -2.215 -3.065 1.00 0.00 C ATOM 39 CD1 ILE A 61 2.233 -2.159 -1.766 1.00 0.00 C ATOM 0 H ILE A 61 1.882 0.031 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.588 0.328 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.104 -1.496 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.237 -0.995 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.687 -2.656 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.393 -3.268 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.289 -1.953 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.482 -2.037 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.043 -2.465 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.989 -2.977 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.547 -1.290 -2.345 1.00 0.00 H new ATOM 51 N ARG A 62 -0.649 2.201 -0.975 1.00 0.00 N ATOM 52 CA ARG A 62 -1.397 3.113 -0.078 1.00 0.00 C ATOM 53 C ARG A 62 -1.264 4.476 -0.705 1.00 0.00 C ATOM 54 O ARG A 62 -2.248 5.152 -0.929 1.00 0.00 O ATOM 55 CB ARG A 62 -0.767 3.066 1.337 1.00 0.00 C ATOM 56 CG ARG A 62 -1.824 3.402 2.411 1.00 0.00 C ATOM 57 CD ARG A 62 -2.824 2.223 2.540 1.00 0.00 C ATOM 58 NE ARG A 62 -3.879 2.600 3.529 1.00 0.00 N ATOM 59 CZ ARG A 62 -4.035 1.919 4.633 1.00 0.00 C ATOM 60 NH1 ARG A 62 -4.523 0.713 4.578 1.00 0.00 N ATOM 61 NH2 ARG A 62 -3.696 2.469 5.761 1.00 0.00 N ATOM 0 H ARG A 62 0.193 2.606 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.446 2.841 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.352 2.076 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.059 3.774 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.338 3.587 3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.355 4.315 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.274 2.001 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.306 1.321 2.865 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.485 3.399 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.780 0.307 3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.648 0.174 5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.316 3.416 5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.810 1.954 6.634 1.00 0.00 H new ATOM 75 N ILE A 63 -0.061 4.856 -1.004 1.00 0.00 N ATOM 76 CA ILE A 63 0.152 6.164 -1.615 1.00 0.00 C ATOM 77 C ILE A 63 -0.678 6.340 -2.891 1.00 0.00 C ATOM 78 O ILE A 63 -1.425 7.292 -3.019 1.00 0.00 O ATOM 79 CB ILE A 63 1.650 6.247 -1.843 1.00 0.00 C ATOM 80 CG1 ILE A 63 2.286 6.357 -0.416 1.00 0.00 C ATOM 81 CG2 ILE A 63 1.980 7.399 -2.774 1.00 0.00 C ATOM 82 CD1 ILE A 63 3.511 7.248 -0.395 1.00 0.00 C ATOM 0 H ILE A 63 0.783 4.305 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.185 6.983 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 63 2.060 5.373 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.544 6.748 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.558 5.362 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.058 7.445 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.483 7.246 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.636 8.334 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.913 7.290 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.266 6.844 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.236 8.252 -0.718 1.00 0.00 H new ATOM 94 N LEU A 64 -0.540 5.407 -3.798 1.00 0.00 N ATOM 95 CA LEU A 64 -1.327 5.556 -5.058 1.00 0.00 C ATOM 96 C LEU A 64 -2.819 5.384 -4.818 1.00 0.00 C ATOM 97 O LEU A 64 -3.637 5.958 -5.512 1.00 0.00 O ATOM 98 CB LEU A 64 -0.867 4.505 -6.113 1.00 0.00 C ATOM 99 CG LEU A 64 0.579 4.745 -6.680 1.00 0.00 C ATOM 100 CD1 LEU A 64 0.735 6.172 -7.261 1.00 0.00 C ATOM 101 CD2 LEU A 64 1.683 4.496 -5.635 1.00 0.00 C ATOM 0 H LEU A 64 0.056 4.582 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.146 6.565 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.907 3.514 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.574 4.507 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 64 0.703 4.014 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.748 6.300 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.020 6.315 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.547 6.906 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.659 4.678 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.543 5.170 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.630 3.464 -5.289 1.00 0.00 H new ATOM 113 N GLN A 65 -3.134 4.616 -3.814 1.00 0.00 N ATOM 114 CA GLN A 65 -4.559 4.354 -3.485 1.00 0.00 C ATOM 115 C GLN A 65 -5.271 5.655 -3.169 1.00 0.00 C ATOM 116 O GLN A 65 -6.469 5.766 -3.341 1.00 0.00 O ATOM 117 CB GLN A 65 -4.563 3.358 -2.307 1.00 0.00 C ATOM 118 CG GLN A 65 -4.192 1.920 -2.813 1.00 0.00 C ATOM 119 CD GLN A 65 -3.003 1.923 -3.786 1.00 0.00 C ATOM 120 OE1 GLN A 65 -3.102 1.499 -4.917 1.00 0.00 O ATOM 121 NE2 GLN A 65 -1.860 2.400 -3.403 1.00 0.00 N ATOM 0 H GLN A 65 -2.459 4.156 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.103 3.920 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.851 3.679 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.546 3.344 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.954 1.288 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.058 1.478 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.750 2.763 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.070 2.412 -4.049 1.00 0.00 H new ATOM 130 N GLN A 66 -4.521 6.624 -2.727 1.00 0.00 N ATOM 131 CA GLN A 66 -5.141 7.917 -2.404 1.00 0.00 C ATOM 132 C GLN A 66 -5.636 8.549 -3.691 1.00 0.00 C ATOM 133 O GLN A 66 -6.579 9.307 -3.671 1.00 0.00 O ATOM 134 CB GLN A 66 -4.091 8.784 -1.750 1.00 0.00 C ATOM 135 CG GLN A 66 -3.651 8.237 -0.368 1.00 0.00 C ATOM 136 CD GLN A 66 -2.696 9.251 0.275 1.00 0.00 C ATOM 137 OE1 GLN A 66 -2.718 9.482 1.466 1.00 0.00 O ATOM 138 NE2 GLN A 66 -1.834 9.893 -0.461 1.00 0.00 N ATOM 0 H GLN A 66 -3.513 6.569 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.986 7.798 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.222 8.853 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.481 9.795 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.520 8.077 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.158 7.272 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.792 9.720 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.201 10.569 -0.033 1.00 0.00 H new ATOM 147 N LEU A 67 -4.996 8.220 -4.778 1.00 0.00 N ATOM 148 CA LEU A 67 -5.410 8.784 -6.083 1.00 0.00 C ATOM 149 C LEU A 67 -6.490 7.867 -6.619 1.00 0.00 C ATOM 150 O LEU A 67 -7.516 8.311 -7.098 1.00 0.00 O ATOM 151 CB LEU A 67 -4.233 8.819 -7.075 1.00 0.00 C ATOM 152 CG LEU A 67 -3.185 9.846 -6.586 1.00 0.00 C ATOM 153 CD1 LEU A 67 -2.125 9.174 -5.693 1.00 0.00 C ATOM 154 CD2 LEU A 67 -2.529 10.512 -7.806 1.00 0.00 C ATOM 0 H LEU A 67 -4.201 7.582 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.762 9.808 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.781 7.831 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.588 9.089 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.683 10.605 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.401 9.919 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.610 8.730 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.613 8.396 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.789 11.238 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.041 9.752 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.291 11.019 -8.398 1.00 0.00 H new ATOM 166 N LEU A 68 -6.238 6.588 -6.511 1.00 0.00 N ATOM 167 CA LEU A 68 -7.262 5.618 -7.024 1.00 0.00 C ATOM 168 C LEU A 68 -8.561 5.865 -6.291 1.00 0.00 C ATOM 169 O LEU A 68 -9.625 5.626 -6.830 1.00 0.00 O ATOM 170 CB LEU A 68 -6.835 4.161 -6.767 1.00 0.00 C ATOM 171 CG LEU A 68 -5.408 3.925 -7.261 1.00 0.00 C ATOM 172 CD1 LEU A 68 -5.053 2.436 -7.098 1.00 0.00 C ATOM 173 CD2 LEU A 68 -5.232 4.340 -8.742 1.00 0.00 C ATOM 0 H LEU A 68 -5.397 6.179 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.371 5.766 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.898 3.940 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.519 3.481 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.739 4.543 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.036 2.264 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.126 2.158 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.746 1.831 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.203 4.155 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.909 3.757 -9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.459 5.400 -8.852 1.00 0.00 H new ATOM 185 N PHE A 69 -8.419 6.335 -5.077 1.00 0.00 N ATOM 186 CA PHE A 69 -9.627 6.626 -4.255 1.00 0.00 C ATOM 187 C PHE A 69 -10.622 7.391 -5.118 1.00 0.00 C ATOM 188 O PHE A 69 -11.792 7.080 -5.173 1.00 0.00 O ATOM 189 CB PHE A 69 -9.206 7.458 -3.027 1.00 0.00 C ATOM 190 CG PHE A 69 -10.439 7.831 -2.190 1.00 0.00 C ATOM 191 CD1 PHE A 69 -11.037 6.889 -1.375 1.00 0.00 C ATOM 192 CD2 PHE A 69 -10.963 9.111 -2.240 1.00 0.00 C ATOM 193 CE1 PHE A 69 -12.143 7.222 -0.621 1.00 0.00 C ATOM 194 CE2 PHE A 69 -12.068 9.444 -1.487 1.00 0.00 C ATOM 195 CZ PHE A 69 -12.658 8.499 -0.678 1.00 0.00 C ATOM 0 H PHE A 69 -7.525 6.528 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.095 5.706 -3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.502 6.890 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.690 8.362 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.636 5.887 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.502 9.854 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.606 6.481 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.471 10.445 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.525 8.759 -0.088 1.00 0.00 H new ATOM 205 N ILE A 70 -10.108 8.371 -5.788 1.00 0.00 N ATOM 206 CA ILE A 70 -10.958 9.201 -6.663 1.00 0.00 C ATOM 207 C ILE A 70 -11.481 8.483 -7.889 1.00 0.00 C ATOM 208 O ILE A 70 -12.666 8.469 -8.155 1.00 0.00 O ATOM 209 CB ILE A 70 -10.136 10.435 -7.045 1.00 0.00 C ATOM 210 CG1 ILE A 70 -9.924 11.226 -5.735 1.00 0.00 C ATOM 211 CG2 ILE A 70 -10.894 11.349 -8.051 1.00 0.00 C ATOM 212 CD1 ILE A 70 -8.593 10.901 -5.045 1.00 0.00 C ATOM 0 H ILE A 70 -9.123 8.635 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.860 9.472 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.204 10.127 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.963 12.294 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.744 11.010 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.275 12.213 -8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.110 10.788 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.828 11.687 -7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.504 11.489 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.561 9.840 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.768 11.144 -5.714 1.00 0.00 H new ATOM 224 N HIS A 71 -10.588 7.883 -8.610 1.00 0.00 N ATOM 225 CA HIS A 71 -11.018 7.161 -9.853 1.00 0.00 C ATOM 226 C HIS A 71 -11.911 5.956 -9.594 1.00 0.00 C ATOM 227 O HIS A 71 -12.699 5.576 -10.440 1.00 0.00 O ATOM 228 CB HIS A 71 -9.769 6.696 -10.624 1.00 0.00 C ATOM 229 CG HIS A 71 -8.852 7.885 -10.941 1.00 0.00 C ATOM 230 ND1 HIS A 71 -7.640 7.710 -11.370 1.00 0.00 N ATOM 231 CD2 HIS A 71 -9.125 9.229 -10.833 1.00 0.00 C ATOM 232 CE1 HIS A 71 -7.230 8.944 -11.504 1.00 0.00 C ATOM 233 NE2 HIS A 71 -8.068 9.901 -11.200 1.00 0.00 N ATOM 0 H HIS A 71 -9.589 7.854 -8.406 1.00 0.00 H new ATOM 0 HA HIS A 71 -11.610 7.871 -10.430 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.225 5.958 -10.034 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.069 6.205 -11.550 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.059 9.657 -10.500 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.233 9.166 -11.854 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.931 10.911 -11.239 1.00 0.00 H new ATOM 241 N PHE A 72 -11.788 5.389 -8.429 1.00 0.00 N ATOM 242 CA PHE A 72 -12.594 4.206 -8.081 1.00 0.00 C ATOM 243 C PHE A 72 -13.843 4.676 -7.381 1.00 0.00 C ATOM 244 O PHE A 72 -14.903 4.125 -7.606 1.00 0.00 O ATOM 245 CB PHE A 72 -11.747 3.303 -7.169 1.00 0.00 C ATOM 246 CG PHE A 72 -12.471 1.970 -6.916 1.00 0.00 C ATOM 247 CD1 PHE A 72 -12.284 0.902 -7.773 1.00 0.00 C ATOM 248 CD2 PHE A 72 -13.312 1.817 -5.831 1.00 0.00 C ATOM 249 CE1 PHE A 72 -12.925 -0.300 -7.552 1.00 0.00 C ATOM 250 CE2 PHE A 72 -13.955 0.614 -5.605 1.00 0.00 C ATOM 251 CZ PHE A 72 -13.761 -0.446 -6.467 1.00 0.00 C ATOM 0 H PHE A 72 -11.152 5.705 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.884 3.638 -8.965 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -10.777 3.116 -7.630 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.557 3.807 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -11.629 1.009 -8.625 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.469 2.644 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -12.771 -1.126 -8.230 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.610 0.504 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.263 -1.386 -6.292 1.00 0.00 H new ATOM 261 N ARG A 73 -13.707 5.690 -6.557 1.00 0.00 N ATOM 262 CA ARG A 73 -14.944 6.128 -5.870 1.00 0.00 C ATOM 263 C ARG A 73 -15.847 6.812 -6.884 1.00 0.00 C ATOM 264 O ARG A 73 -17.052 6.670 -6.828 1.00 0.00 O ATOM 265 CB ARG A 73 -14.600 7.083 -4.713 1.00 0.00 C ATOM 266 CG ARG A 73 -15.848 7.182 -3.813 1.00 0.00 C ATOM 267 CD ARG A 73 -15.482 7.884 -2.507 1.00 0.00 C ATOM 268 NE ARG A 73 -16.573 7.604 -1.524 1.00 0.00 N ATOM 269 CZ ARG A 73 -17.429 8.526 -1.175 1.00 0.00 C ATOM 270 NH1 ARG A 73 -16.986 9.713 -0.887 1.00 0.00 N ATOM 271 NH2 ARG A 73 -18.696 8.224 -1.125 1.00 0.00 N ATOM 0 H ARG A 73 -12.849 6.199 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.461 5.266 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.747 6.709 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.323 8.065 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.636 7.733 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.239 6.186 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.525 7.521 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.375 8.957 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.650 6.672 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.986 9.910 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.638 10.448 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.005 7.280 -1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.379 8.932 -0.854 1.00 0.00 H new ATOM 285 N ILE A 74 -15.249 7.542 -7.785 1.00 0.00 N ATOM 286 CA ILE A 74 -16.067 8.232 -8.818 1.00 0.00 C ATOM 287 C ILE A 74 -16.400 7.177 -9.875 1.00 0.00 C ATOM 288 O ILE A 74 -17.531 7.032 -10.293 1.00 0.00 O ATOM 289 CB ILE A 74 -15.253 9.393 -9.448 1.00 0.00 C ATOM 290 CG1 ILE A 74 -14.998 10.454 -8.342 1.00 0.00 C ATOM 291 CG2 ILE A 74 -16.040 10.013 -10.634 1.00 0.00 C ATOM 292 CD1 ILE A 74 -14.248 11.671 -8.909 1.00 0.00 C ATOM 0 H ILE A 74 -14.242 7.689 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.974 8.661 -8.392 1.00 0.00 H new ATOM 0 HB ILE A 74 -14.302 9.027 -9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.948 10.775 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -14.418 10.009 -7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.460 10.827 -11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -16.219 9.249 -11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -16.994 10.399 -10.275 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.082 12.399 -8.115 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.288 11.351 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.842 12.128 -9.701 1.00 0.00 H new