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 -6.804 0.308 -0.914 1.00 0.00 N ATOM 44 CA ARG A 3 -5.940 1.481 -1.026 1.00 0.00 C ATOM 45 C ARG A 3 -4.494 1.112 -0.732 1.00 0.00 C ATOM 46 O ARG A 3 -3.573 1.608 -1.373 1.00 0.00 O ATOM 47 CB ARG A 3 -6.401 2.569 -0.057 1.00 0.00 C ATOM 48 CG ARG A 3 -7.844 2.977 -0.266 1.00 0.00 C ATOM 49 CD ARG A 3 -8.343 3.884 0.848 1.00 0.00 C ATOM 50 NE ARG A 3 -9.746 4.255 0.666 1.00 0.00 N ATOM 51 CZ ARG A 3 -10.750 3.378 0.641 1.00 0.00 C ATOM 52 NH1 ARG A 3 -10.511 2.081 0.793 1.00 0.00 N ATOM 53 NH2 ARG A 3 -11.995 3.799 0.467 1.00 0.00 N ATOM 0 HA ARG A 3 -6.005 1.857 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.274 2.214 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.762 3.444 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.942 3.490 -1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.470 2.086 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.223 3.380 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.731 4.785 0.883 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.970 5.244 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.556 1.751 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.283 1.414 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.185 4.794 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.762 3.127 0.448 1.00 0.00 H new ATOM 67 N PHE A 4 -4.311 0.235 0.244 1.00 0.00 N ATOM 68 CA PHE A 4 -2.984 -0.218 0.643 1.00 0.00 C ATOM 69 C PHE A 4 -2.133 -0.549 -0.565 1.00 0.00 C ATOM 70 O PHE A 4 -0.914 -0.437 -0.538 1.00 0.00 O ATOM 71 CB PHE A 4 -3.115 -1.432 1.559 1.00 0.00 C ATOM 72 CG PHE A 4 -3.819 -1.119 2.847 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.228 0.176 3.122 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.096 -2.113 3.766 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.895 0.477 4.284 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.763 -1.820 4.939 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.164 -0.521 5.201 1.00 0.00 C ATOM 0 H PHE A 4 -5.072 -0.181 0.780 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.487 0.588 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.659 -2.219 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.122 -1.823 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.019 0.961 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.788 -3.128 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.209 1.492 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.972 -2.604 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.685 -0.289 6.118 1.00 0.00 H new ATOM 87 N ALA A 5 -2.786 -0.959 -1.624 1.00 0.00 N ATOM 88 CA ALA A 5 -2.096 -1.314 -2.841 1.00 0.00 C ATOM 89 C ALA A 5 -1.171 -0.196 -3.327 1.00 0.00 C ATOM 90 O ALA A 5 -0.035 -0.459 -3.724 1.00 0.00 O ATOM 91 CB ALA A 5 -3.114 -1.672 -3.901 1.00 0.00 C ATOM 0 H ALA A 5 -3.800 -1.056 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.460 -2.175 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.599 -1.941 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.713 -2.516 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.764 -0.817 -4.085 1.00 0.00 H new ATOM 97 N TRP A 6 -1.655 1.046 -3.311 1.00 0.00 N ATOM 98 CA TRP A 6 -0.848 2.174 -3.772 1.00 0.00 C ATOM 99 C TRP A 6 0.069 2.733 -2.683 1.00 0.00 C ATOM 100 O TRP A 6 0.597 3.834 -2.840 1.00 0.00 O ATOM 101 CB TRP A 6 -1.735 3.298 -4.323 1.00 0.00 C ATOM 102 CG TRP A 6 -2.823 3.701 -3.388 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.136 3.396 -3.515 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.698 4.458 -2.175 1.00 0.00 C ATOM 105 NE1 TRP A 6 -4.841 3.911 -2.463 1.00 0.00 N ATOM 106 CE2 TRP A 6 -3.980 4.567 -1.618 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.629 5.046 -1.505 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.217 5.240 -0.414 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.857 5.697 -0.303 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.134 5.785 0.231 1.00 0.00 C ATOM 0 H TRP A 6 -2.590 1.294 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.215 1.785 -4.569 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.114 4.166 -4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.176 2.974 -5.266 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.564 2.829 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.848 3.822 -2.327 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.632 4.995 -1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.214 5.327 -0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.028 6.143 0.226 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.280 6.292 1.173 1.00 0.00 H new ATOM 121 N TRP A 7 0.269 2.005 -1.576 1.00 0.00 N ATOM 122 CA TRP A 7 1.129 2.531 -0.513 1.00 0.00 C ATOM 123 C TRP A 7 1.596 1.503 0.498 1.00 0.00 C ATOM 124 O TRP A 7 2.769 1.485 0.860 1.00 0.00 O ATOM 125 CB TRP A 7 0.422 3.639 0.202 1.00 0.00 C ATOM 126 CG TRP A 7 -0.687 3.164 1.052 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.966 2.833 0.706 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.583 2.977 2.424 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.665 2.481 1.822 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.823 2.551 2.891 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.461 3.139 3.299 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -2.046 2.285 4.213 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.253 2.874 4.607 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.996 2.446 5.071 1.00 0.00 C ATOM 0 H TRP A 7 -0.136 1.086 -1.398 1.00 0.00 H new ATOM 0 HA TRP A 7 2.029 2.886 -1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.139 4.181 0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.033 4.346 -0.531 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.363 2.848 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.648 2.212 1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.428 3.471 2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.014 1.960 4.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.066 2.995 5.308 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.131 2.240 6.123 1.00 0.00 H new ATOM 145 N TRP A 8 0.709 0.661 0.974 1.00 0.00 N ATOM 146 CA TRP A 8 1.115 -0.339 1.932 1.00 0.00 C ATOM 147 C TRP A 8 2.334 -1.033 1.356 1.00 0.00 C ATOM 148 O TRP A 8 3.272 -1.397 2.066 1.00 0.00 O ATOM 149 CB TRP A 8 -0.019 -1.316 2.175 1.00 0.00 C ATOM 150 CG TRP A 8 0.174 -2.643 1.526 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.307 -3.057 0.322 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.896 -3.731 2.071 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.067 -4.358 0.091 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.809 -4.794 1.157 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.606 -3.900 3.253 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.409 -6.022 1.394 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.205 -5.122 3.493 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.099 -6.170 2.565 1.00 0.00 C ATOM 0 H TRP A 8 -0.279 0.647 0.720 1.00 0.00 H new ATOM 0 HA TRP A 8 1.361 0.107 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.135 -1.462 3.249 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.948 -0.877 1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.896 -2.452 -0.352 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.168 -4.908 -0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.688 -3.095 3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.334 -6.830 0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.762 -5.273 4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.574 -7.116 2.781 1.00 0.00 H new ATOM 169 N ALA A 9 2.314 -1.151 0.031 1.00 0.00 N ATOM 170 CA ALA A 9 3.410 -1.729 -0.707 1.00 0.00 C ATOM 171 C ALA A 9 4.546 -0.706 -0.762 1.00 0.00 C ATOM 172 O ALA A 9 5.721 -1.035 -0.606 1.00 0.00 O ATOM 173 CB ALA A 9 2.951 -2.121 -2.101 1.00 0.00 C ATOM 0 H ALA A 9 1.534 -0.846 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 9 3.766 -2.634 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.786 -2.556 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.145 -2.851 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.592 -1.237 -2.628 1.00 0.00 H new ATOM 179 N PHE A 10 4.146 0.555 -0.936 1.00 0.00 N ATOM 180 CA PHE A 10 5.062 1.697 -0.959 1.00 0.00 C ATOM 181 C PHE A 10 5.975 1.635 0.269 1.00 0.00 C ATOM 182 O PHE A 10 7.119 2.089 0.241 1.00 0.00 O ATOM 183 CB PHE A 10 4.202 2.990 -0.988 1.00 0.00 C ATOM 184 CG PHE A 10 4.793 4.241 -0.391 1.00 0.00 C ATOM 185 CD1 PHE A 10 6.119 4.590 -0.599 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.990 5.085 0.380 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.639 5.747 -0.049 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.510 6.240 0.929 1.00 0.00 C ATOM 189 CZ PHE A 10 5.835 6.571 0.716 1.00 0.00 C ATOM 0 H PHE A 10 3.168 0.815 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 10 5.705 1.684 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.950 3.202 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.266 2.781 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.752 3.951 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.954 4.832 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.674 6.007 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.881 6.885 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.242 7.474 1.147 1.00 0.00 H new ATOM 199 N LEU A 11 5.450 1.050 1.343 1.00 0.00 N ATOM 200 CA LEU A 11 6.189 0.902 2.594 1.00 0.00 C ATOM 201 C LEU A 11 7.141 -0.292 2.558 1.00 0.00 C ATOM 202 O LEU A 11 8.332 -0.156 2.841 1.00 0.00 O ATOM 203 CB LEU A 11 5.209 0.707 3.746 1.00 0.00 C ATOM 204 CG LEU A 11 4.101 1.751 3.842 1.00 0.00 C ATOM 205 CD1 LEU A 11 3.013 1.267 4.783 1.00 0.00 C ATOM 206 CD2 LEU A 11 4.664 3.085 4.311 1.00 0.00 C ATOM 0 H LEU A 11 4.505 0.667 1.371 1.00 0.00 H new ATOM 0 HA LEU A 11 6.778 1.808 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.751 -0.277 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.768 0.708 4.681 1.00 0.00 H new ATOM 0 HG LEU A 11 3.667 1.896 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.226 2.018 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.595 0.334 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.436 1.101 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.859 3.818 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.120 2.962 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.416 3.432 3.602 1.00 0.00 H new