USER MOD reduce.3.24.130724 H: found=0, std=0, add=81, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 82 hydrogens (0 hets) ATOM 43 N ARG A 3 -6.876 0.445 1.278 1.00 0.00 N ATOM 44 CA ARG A 3 -6.125 -0.794 1.117 1.00 0.00 C ATOM 45 C ARG A 3 -4.648 -0.497 0.923 1.00 0.00 C ATOM 46 O ARG A 3 -3.794 -1.067 1.592 1.00 0.00 O ATOM 47 CB ARG A 3 -6.647 -1.589 -0.081 1.00 0.00 C ATOM 48 CG ARG A 3 -8.120 -1.927 0.019 1.00 0.00 C ATOM 49 CD ARG A 3 -8.617 -2.640 -1.229 1.00 0.00 C ATOM 50 NE ARG A 3 -7.921 -3.905 -1.449 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.170 -4.716 -2.474 1.00 0.00 C ATOM 52 NH1 ARG A 3 -9.092 -4.395 -3.371 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.495 -5.850 -2.601 1.00 0.00 N ATOM 0 HA ARG A 3 -6.256 -1.388 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.474 -1.016 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.075 -2.512 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.291 -2.558 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.694 -1.013 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.687 -2.826 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.478 -1.994 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.204 -4.182 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.614 -3.523 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.280 -5.020 -4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.785 -6.101 -1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.686 -6.472 -3.387 1.00 0.00 H new ATOM 67 N PHE A 4 -4.364 0.404 -0.005 1.00 0.00 N ATOM 68 CA PHE A 4 -2.996 0.800 -0.320 1.00 0.00 C ATOM 69 C PHE A 4 -2.183 1.016 0.936 1.00 0.00 C ATOM 70 O PHE A 4 -0.977 0.801 0.961 1.00 0.00 O ATOM 71 CB PHE A 4 -3.016 2.070 -1.164 1.00 0.00 C ATOM 72 CG PHE A 4 -3.753 1.898 -2.459 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.213 0.650 -2.840 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.010 2.980 -3.277 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.912 0.477 -4.008 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.709 2.818 -4.456 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.163 1.563 -4.825 1.00 0.00 C ATOM 0 H PHE A 4 -5.073 0.882 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.524 -0.005 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.480 2.873 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.991 2.378 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.018 -0.203 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.661 3.962 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.265 -0.505 -4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.902 3.670 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.711 1.433 -5.747 1.00 0.00 H new ATOM 87 N ALA A 5 -2.849 1.450 1.975 1.00 0.00 N ATOM 88 CA ALA A 5 -2.193 1.710 3.231 1.00 0.00 C ATOM 89 C ALA A 5 -1.374 0.510 3.714 1.00 0.00 C ATOM 90 O ALA A 5 -0.256 0.677 4.202 1.00 0.00 O ATOM 91 CB ALA A 5 -3.234 2.110 4.254 1.00 0.00 C ATOM 0 H ALA A 5 -3.853 1.632 1.976 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.484 2.526 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.748 2.309 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.751 3.008 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.954 1.301 4.375 1.00 0.00 H new ATOM 97 N TRP A 6 -1.929 -0.697 3.588 1.00 0.00 N ATOM 98 CA TRP A 6 -1.224 -1.900 4.031 1.00 0.00 C ATOM 99 C TRP A 6 -0.342 -2.508 2.939 1.00 0.00 C ATOM 100 O TRP A 6 0.061 -3.665 3.060 1.00 0.00 O ATOM 101 CB TRP A 6 -2.211 -2.961 4.538 1.00 0.00 C ATOM 102 CG TRP A 6 -3.325 -3.231 3.583 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.606 -2.809 3.714 1.00 0.00 C ATOM 104 CD2 TRP A 6 -3.261 -3.955 2.344 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.346 -3.221 2.641 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.544 -3.923 1.778 1.00 0.00 C ATOM 107 CE3 TRP A 6 -2.247 -4.619 1.658 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.834 -4.528 0.550 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -2.527 -5.204 0.432 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.803 -5.150 -0.110 1.00 0.00 C ATOM 0 H TRP A 6 -2.852 -0.866 3.188 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.573 -1.584 4.846 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.671 -3.889 4.728 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.629 -2.634 5.490 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.986 -2.232 4.544 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.340 -3.035 2.504 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.253 -4.678 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.832 -4.507 0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.740 -5.709 -0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.989 -5.607 -1.071 1.00 0.00 H new ATOM 121 N TRP A 7 -0.037 -1.761 1.868 1.00 0.00 N ATOM 122 CA TRP A 7 0.788 -2.336 0.802 1.00 0.00 C ATOM 123 C TRP A 7 1.336 -1.337 -0.196 1.00 0.00 C ATOM 124 O TRP A 7 2.484 -1.451 -0.611 1.00 0.00 O ATOM 125 CB TRP A 7 -0.006 -3.368 0.062 1.00 0.00 C ATOM 126 CG TRP A 7 -1.046 -2.768 -0.802 1.00 0.00 C ATOM 127 CD1 TRP A 7 -2.294 -2.328 -0.470 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.894 -2.543 -2.164 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.932 -1.872 -1.584 1.00 0.00 N ATOM 130 CE2 TRP A 7 -2.079 -1.984 -2.637 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.147 -2.772 -3.025 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -2.249 -1.650 -3.952 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.008 -2.442 -4.325 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.200 -1.879 -4.796 1.00 0.00 C ATOM 0 H TRP A 7 -0.336 -0.797 1.721 1.00 0.00 H new ATOM 0 HA TRP A 7 1.654 -2.766 1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 7 0.666 -3.970 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.477 -4.042 0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.713 -2.339 0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.885 -1.509 -1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.070 -3.207 -2.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.175 -1.223 -4.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 0.804 -2.616 -5.015 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.291 -1.622 -5.841 1.00 0.00 H new ATOM 145 N TRP A 8 0.541 -0.382 -0.617 1.00 0.00 N ATOM 146 CA TRP A 8 1.032 0.582 -1.572 1.00 0.00 C ATOM 147 C TRP A 8 2.359 1.090 -1.054 1.00 0.00 C ATOM 148 O TRP A 8 3.298 1.340 -1.810 1.00 0.00 O ATOM 149 CB TRP A 8 0.033 1.707 -1.740 1.00 0.00 C ATOM 150 CG TRP A 8 0.373 2.954 -0.996 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.129 3.370 0.197 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.277 3.955 -1.427 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.401 4.592 0.528 1.00 0.00 N ATOM 154 CE2 TRP A 8 1.271 4.973 -0.459 1.00 0.00 C ATOM 155 CE3 TRP A 8 2.089 4.081 -2.547 1.00 0.00 C ATOM 156 CZ2 TRP A 8 2.047 6.116 -0.584 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.865 5.217 -2.674 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.833 6.224 -1.696 1.00 0.00 C ATOM 0 H TRP A 8 -0.427 -0.252 -0.322 1.00 0.00 H new ATOM 0 HA TRP A 8 1.167 0.130 -2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.053 1.944 -2.800 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.946 1.358 -1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.840 2.820 0.796 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.183 5.127 1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.113 3.308 -3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.030 6.890 0.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.504 5.332 -3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.444 7.105 -1.826 1.00 0.00 H new ATOM 169 N ALA A 9 2.427 1.181 0.269 1.00 0.00 N ATOM 170 CA ALA A 9 3.632 1.589 0.940 1.00 0.00 C ATOM 171 C ALA A 9 4.626 0.428 0.888 1.00 0.00 C ATOM 172 O ALA A 9 5.818 0.610 0.640 1.00 0.00 O ATOM 173 CB ALA A 9 3.327 1.994 2.372 1.00 0.00 C ATOM 0 H ALA A 9 1.648 0.973 0.894 1.00 0.00 H new ATOM 0 HA ALA A 9 4.067 2.458 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.248 2.300 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.621 2.825 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.893 1.148 2.905 1.00 0.00 H new ATOM 179 N PHE A 10 4.080 -0.780 1.079 1.00 0.00 N ATOM 180 CA PHE A 10 4.838 -2.032 1.014 1.00 0.00 C ATOM 181 C PHE A 10 5.693 -2.039 -0.254 1.00 0.00 C ATOM 182 O PHE A 10 6.820 -2.535 -0.260 1.00 0.00 O ATOM 183 CB PHE A 10 3.824 -3.208 1.040 1.00 0.00 C ATOM 184 CG PHE A 10 4.261 -4.516 0.432 1.00 0.00 C ATOM 185 CD1 PHE A 10 5.551 -4.996 0.593 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.349 -5.275 -0.306 1.00 0.00 C ATOM 187 CE1 PHE A 10 5.932 -6.200 0.032 1.00 0.00 C ATOM 188 CE2 PHE A 10 3.730 -6.479 -0.866 1.00 0.00 C ATOM 189 CZ PHE A 10 5.022 -6.942 -0.697 1.00 0.00 C ATOM 0 H PHE A 10 3.090 -0.915 1.285 1.00 0.00 H new ATOM 0 HA PHE A 10 5.514 -2.135 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.551 -3.394 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.919 -2.884 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.267 -4.423 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.339 -4.918 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.941 -6.561 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.019 -7.059 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.320 -7.883 -1.135 1.00 0.00 H new ATOM 199 N LEU A 11 5.149 -1.455 -1.318 1.00 0.00 N ATOM 200 CA LEU A 11 5.848 -1.361 -2.594 1.00 0.00 C ATOM 201 C LEU A 11 7.035 -0.414 -2.483 1.00 0.00 C ATOM 202 O LEU A 11 8.151 -0.744 -2.885 1.00 0.00 O ATOM 203 CB LEU A 11 4.900 -0.836 -3.669 1.00 0.00 C ATOM 204 CG LEU A 11 3.561 -1.558 -3.769 1.00 0.00 C ATOM 205 CD1 LEU A 11 2.604 -0.757 -4.634 1.00 0.00 C ATOM 206 CD2 LEU A 11 3.750 -2.960 -4.330 1.00 0.00 C ATOM 0 H LEU A 11 4.219 -1.037 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 11 6.202 -2.356 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.711 0.220 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.401 -0.901 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 11 3.135 -1.649 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.650 -1.279 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.449 0.227 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.025 -0.642 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.783 -3.460 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.193 -2.897 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.410 -3.528 -3.674 1.00 0.00 H new