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 7.040 0.661 0.518 1.00 0.00 N ATOM 44 CA ARG A 3 6.076 1.752 0.584 1.00 0.00 C ATOM 45 C ARG A 3 4.653 1.225 0.514 1.00 0.00 C ATOM 46 O ARG A 3 3.772 1.693 1.227 1.00 0.00 O ATOM 47 CB ARG A 3 6.317 2.748 -0.548 1.00 0.00 C ATOM 48 CG ARG A 3 7.650 3.457 -0.443 1.00 0.00 C ATOM 49 CD ARG A 3 7.857 4.442 -1.582 1.00 0.00 C ATOM 50 NE ARG A 3 9.142 5.129 -1.480 1.00 0.00 N ATOM 51 CZ ARG A 3 9.560 6.048 -2.345 1.00 0.00 C ATOM 52 NH1 ARG A 3 8.796 6.394 -3.373 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.742 6.623 -2.180 1.00 0.00 N ATOM 0 HA ARG A 3 6.211 2.260 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.266 2.223 -1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.517 3.489 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.707 3.985 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.454 2.721 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.802 3.913 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.051 5.176 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 3 9.754 4.890 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.885 5.955 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.120 7.099 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.331 6.361 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.063 7.328 -2.843 1.00 0.00 H new ATOM 67 N PHE A 4 4.440 0.248 -0.354 1.00 0.00 N ATOM 68 CA PHE A 4 3.124 -0.355 -0.534 1.00 0.00 C ATOM 69 C PHE A 4 2.476 -0.662 0.800 1.00 0.00 C ATOM 70 O PHE A 4 1.258 -0.675 0.932 1.00 0.00 O ATOM 71 CB PHE A 4 3.251 -1.626 -1.368 1.00 0.00 C ATOM 72 CG PHE A 4 3.748 -1.371 -2.760 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.959 -0.076 -3.202 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.012 -2.419 -3.622 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.423 0.173 -4.470 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.481 -2.179 -4.898 1.00 0.00 C ATOM 77 CZ PHE A 4 4.688 -0.880 -5.325 1.00 0.00 C ATOM 0 H PHE A 4 5.167 -0.148 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 4 2.486 0.357 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.931 -2.315 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.279 -2.117 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.755 0.752 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.850 -3.435 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.581 1.190 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.686 -3.005 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.055 -0.689 -6.323 1.00 0.00 H new ATOM 87 N ALA A 5 3.301 -0.914 1.787 1.00 0.00 N ATOM 88 CA ALA A 5 2.816 -1.231 3.108 1.00 0.00 C ATOM 89 C ALA A 5 1.856 -0.164 3.641 1.00 0.00 C ATOM 90 O ALA A 5 0.836 -0.493 4.248 1.00 0.00 O ATOM 91 CB ALA A 5 3.998 -1.417 4.036 1.00 0.00 C ATOM 0 H ALA A 5 4.317 -0.906 1.699 1.00 0.00 H new ATOM 0 HA ALA A 5 2.244 -2.158 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.640 -1.657 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.624 -2.231 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.582 -0.497 4.070 1.00 0.00 H new ATOM 97 N TRP A 6 2.183 1.112 3.427 1.00 0.00 N ATOM 98 CA TRP A 6 1.332 2.200 3.910 1.00 0.00 C ATOM 99 C TRP A 6 0.256 2.610 2.903 1.00 0.00 C ATOM 100 O TRP A 6 -0.314 3.693 3.036 1.00 0.00 O ATOM 101 CB TRP A 6 2.170 3.429 4.284 1.00 0.00 C ATOM 102 CG TRP A 6 3.121 3.843 3.211 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.461 3.649 3.220 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.814 4.496 1.968 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.013 4.136 2.069 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.023 4.660 1.277 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.640 4.951 1.372 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.087 5.256 0.013 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.696 5.527 0.112 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.908 5.670 -0.555 1.00 0.00 C ATOM 0 H TRP A 6 3.020 1.415 2.929 1.00 0.00 H new ATOM 0 HA TRP A 6 0.827 1.813 4.795 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.502 4.261 4.509 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.730 3.215 5.194 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.013 3.178 4.020 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.006 4.113 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.695 4.856 1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.030 5.386 -0.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.786 5.869 -0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.922 6.115 -1.539 1.00 0.00 H new ATOM 121 N TRP A 7 -0.032 1.779 1.893 1.00 0.00 N ATOM 122 CA TRP A 7 -1.044 2.170 0.907 1.00 0.00 C ATOM 123 C TRP A 7 -1.501 1.060 -0.015 1.00 0.00 C ATOM 124 O TRP A 7 -2.678 0.979 -0.343 1.00 0.00 O ATOM 125 CB TRP A 7 -0.513 3.293 0.070 1.00 0.00 C ATOM 126 CG TRP A 7 0.503 2.838 -0.902 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.836 2.612 -0.715 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.230 2.543 -2.234 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.403 2.218 -1.890 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.425 2.158 -2.836 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.930 2.576 -2.969 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.490 1.806 -4.156 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.877 2.227 -4.274 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.328 1.840 -4.873 1.00 0.00 C ATOM 0 H TRP A 7 0.401 0.868 1.740 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.917 2.464 1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.337 3.766 -0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.077 4.052 0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.361 2.728 0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.390 2.005 -2.036 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.863 2.874 -2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.423 1.513 -4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.781 2.247 -4.865 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.339 1.564 -5.917 1.00 0.00 H new ATOM 145 N TRP A 8 -0.598 0.223 -0.468 1.00 0.00 N ATOM 146 CA TRP A 8 -1.000 -0.845 -1.352 1.00 0.00 C ATOM 147 C TRP A 8 -2.159 -1.558 -0.694 1.00 0.00 C ATOM 148 O TRP A 8 -3.052 -2.087 -1.347 1.00 0.00 O ATOM 149 CB TRP A 8 0.158 -1.783 -1.601 1.00 0.00 C ATOM 150 CG TRP A 8 0.078 -3.066 -0.853 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.698 -3.385 0.314 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.659 -4.209 -1.248 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.406 -4.681 0.661 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.431 -5.208 -0.288 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.488 -4.473 -2.331 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.004 -6.468 -0.385 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.062 -5.727 -2.429 1.00 0.00 C ATOM 158 CH2 TRP A 8 -1.812 -6.711 -1.459 1.00 0.00 C ATOM 0 H TRP A 8 0.397 0.257 -0.246 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.306 -0.457 -2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.211 -2.001 -2.668 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.085 -1.276 -1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.327 -2.718 0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.754 -5.169 1.486 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.679 -3.717 -3.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.818 -7.227 0.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.711 -5.953 -3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.270 -7.683 -1.565 1.00 0.00 H new ATOM 169 N ALA A 9 -2.141 -1.513 0.630 1.00 0.00 N ATOM 170 CA ALA A 9 -3.194 -2.088 1.420 1.00 0.00 C ATOM 171 C ALA A 9 -4.381 -1.123 1.402 1.00 0.00 C ATOM 172 O ALA A 9 -5.542 -1.523 1.314 1.00 0.00 O ATOM 173 CB ALA A 9 -2.708 -2.342 2.837 1.00 0.00 C ATOM 0 H ALA A 9 -1.396 -1.077 1.174 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.502 -3.049 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.515 -2.778 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.863 -3.030 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.397 -1.400 3.289 1.00 0.00 H new ATOM 179 N PHE A 10 -4.037 0.169 1.449 1.00 0.00 N ATOM 180 CA PHE A 10 -4.997 1.274 1.401 1.00 0.00 C ATOM 181 C PHE A 10 -5.953 1.104 0.217 1.00 0.00 C ATOM 182 O PHE A 10 -7.161 1.291 0.353 1.00 0.00 O ATOM 183 CB PHE A 10 -4.203 2.605 1.297 1.00 0.00 C ATOM 184 CG PHE A 10 -4.795 3.676 0.415 1.00 0.00 C ATOM 185 CD1 PHE A 10 -6.120 4.068 0.544 1.00 0.00 C ATOM 186 CD2 PHE A 10 -4.006 4.296 -0.553 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.649 5.049 -0.273 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.534 5.277 -1.369 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.857 5.652 -1.231 1.00 0.00 C ATOM 0 H PHE A 10 -3.068 0.479 1.523 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.605 1.284 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.090 3.014 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.202 2.377 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.745 3.601 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.972 4.006 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.682 5.344 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.913 5.751 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.272 6.416 -1.872 1.00 0.00 H new ATOM 199 N LEU A 11 -5.404 0.753 -0.943 1.00 0.00 N ATOM 200 CA LEU A 11 -6.212 0.567 -2.145 1.00 0.00 C ATOM 201 C LEU A 11 -7.066 -0.692 -2.050 1.00 0.00 C ATOM 202 O LEU A 11 -8.202 -0.710 -2.526 1.00 0.00 O ATOM 203 CB LEU A 11 -5.319 0.531 -3.393 1.00 0.00 C ATOM 204 CG LEU A 11 -4.240 -0.550 -3.403 1.00 0.00 C ATOM 205 CD1 LEU A 11 -4.812 -1.891 -3.841 1.00 0.00 C ATOM 206 CD2 LEU A 11 -3.085 -0.142 -4.300 1.00 0.00 C ATOM 0 H LEU A 11 -4.406 0.592 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.889 1.417 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.954 0.393 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.836 1.502 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.865 -0.661 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.022 -2.642 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.601 -2.193 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.223 -1.800 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.326 -0.924 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.448 0.004 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.650 0.788 -3.933 1.00 0.00 H new