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 7.117 0.009 0.926 1.00 0.00 N ATOM 44 CA ARG A 3 6.276 1.190 1.067 1.00 0.00 C ATOM 45 C ARG A 3 4.815 0.833 0.844 1.00 0.00 C ATOM 46 O ARG A 3 3.933 1.351 1.512 1.00 0.00 O ATOM 47 CB ARG A 3 6.697 2.283 0.085 1.00 0.00 C ATOM 48 CG ARG A 3 6.596 1.869 -1.374 1.00 0.00 C ATOM 49 CD ARG A 3 7.157 2.939 -2.297 1.00 0.00 C ATOM 50 NE ARG A 3 6.468 4.217 -2.139 1.00 0.00 N ATOM 51 CZ ARG A 3 6.775 5.312 -2.828 1.00 0.00 C ATOM 52 NH1 ARG A 3 7.751 5.284 -3.726 1.00 0.00 N ATOM 53 NH2 ARG A 3 6.104 6.437 -2.620 1.00 0.00 N ATOM 0 HA ARG A 3 6.400 1.568 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.075 3.163 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.725 2.575 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.137 0.935 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.553 1.678 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.219 3.073 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.071 2.606 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 3 5.708 4.273 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.269 4.421 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.984 6.126 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.352 6.462 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.340 7.277 -3.149 1.00 0.00 H new ATOM 67 N PHE A 4 4.559 -0.057 -0.100 1.00 0.00 N ATOM 68 CA PHE A 4 3.194 -0.463 -0.389 1.00 0.00 C ATOM 69 C PHE A 4 2.505 -0.876 0.876 1.00 0.00 C ATOM 70 O PHE A 4 1.331 -0.627 1.068 1.00 0.00 O ATOM 71 CB PHE A 4 3.185 -1.565 -1.432 1.00 0.00 C ATOM 72 CG PHE A 4 4.048 -1.179 -2.578 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.939 0.089 -3.115 1.00 0.00 C ATOM 74 CD2 PHE A 4 5.002 -2.041 -3.071 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.759 0.494 -4.136 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.835 -1.647 -4.091 1.00 0.00 C ATOM 77 CZ PHE A 4 5.718 -0.375 -4.631 1.00 0.00 C ATOM 0 H PHE A 4 5.271 -0.509 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 4 2.641 0.380 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.542 -2.497 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.166 -1.745 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.198 0.771 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.096 -3.033 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.658 1.485 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.581 -2.329 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.371 -0.063 -5.433 1.00 0.00 H new ATOM 87 N ALA A 5 3.272 -1.476 1.739 1.00 0.00 N ATOM 88 CA ALA A 5 2.800 -1.936 3.018 1.00 0.00 C ATOM 89 C ALA A 5 1.924 -0.904 3.767 1.00 0.00 C ATOM 90 O ALA A 5 1.203 -1.276 4.693 1.00 0.00 O ATOM 91 CB ALA A 5 4.015 -2.319 3.831 1.00 0.00 C ATOM 0 H ALA A 5 4.261 -1.664 1.573 1.00 0.00 H new ATOM 0 HA ALA A 5 2.141 -2.790 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.699 -2.674 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.562 -3.110 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.661 -1.450 3.951 1.00 0.00 H new ATOM 97 N TRP A 6 1.980 0.385 3.386 1.00 0.00 N ATOM 98 CA TRP A 6 1.169 1.409 4.071 1.00 0.00 C ATOM 99 C TRP A 6 0.092 2.044 3.173 1.00 0.00 C ATOM 100 O TRP A 6 -0.381 3.140 3.472 1.00 0.00 O ATOM 101 CB TRP A 6 2.056 2.518 4.670 1.00 0.00 C ATOM 102 CG TRP A 6 3.046 3.080 3.709 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.388 2.891 3.743 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.784 3.927 2.580 1.00 0.00 C ATOM 105 NE1 TRP A 6 4.975 3.518 2.679 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.013 4.169 1.950 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.632 4.486 2.033 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.118 4.944 0.792 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.731 5.249 0.887 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.962 5.469 0.274 1.00 0.00 C ATOM 0 H TRP A 6 2.563 0.737 2.627 1.00 0.00 H new ATOM 0 HA TRP A 6 0.653 0.878 4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.418 3.324 5.033 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.588 2.118 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.916 2.328 4.499 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.971 3.504 2.462 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.672 4.324 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.074 5.123 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.839 5.682 0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.007 6.064 -0.626 1.00 0.00 H new ATOM 121 N TRP A 7 -0.304 1.372 2.085 1.00 0.00 N ATOM 122 CA TRP A 7 -1.323 1.934 1.177 1.00 0.00 C ATOM 123 C TRP A 7 -1.751 0.961 0.092 1.00 0.00 C ATOM 124 O TRP A 7 -2.855 1.054 -0.432 1.00 0.00 O ATOM 125 CB TRP A 7 -0.784 3.164 0.493 1.00 0.00 C ATOM 126 CG TRP A 7 0.328 2.831 -0.429 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.444 2.116 -0.141 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.430 3.202 -1.786 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.232 2.011 -1.252 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.633 2.676 -2.274 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.385 3.927 -2.633 1.00 0.00 C ATOM 132 CZ2 TRP A 7 2.045 2.853 -3.577 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.015 4.112 -3.929 1.00 0.00 C ATOM 134 CH2 TRP A 7 1.224 3.578 -4.397 1.00 0.00 C ATOM 0 H TRP A 7 0.054 0.457 1.812 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.187 2.165 1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.584 3.653 -0.063 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.436 3.875 1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.676 1.692 0.825 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.122 1.516 -1.305 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.319 4.339 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.975 2.438 -3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.611 4.679 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.513 3.742 -5.425 1.00 0.00 H new ATOM 145 N TRP A 8 -0.866 0.052 -0.262 1.00 0.00 N ATOM 146 CA TRP A 8 -1.143 -0.932 -1.293 1.00 0.00 C ATOM 147 C TRP A 8 -2.481 -1.619 -1.072 1.00 0.00 C ATOM 148 O TRP A 8 -3.032 -2.269 -1.960 1.00 0.00 O ATOM 149 CB TRP A 8 -0.029 -1.964 -1.335 1.00 0.00 C ATOM 150 CG TRP A 8 0.118 -2.900 -0.158 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.794 -4.062 -0.153 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.378 -2.745 1.151 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.714 -4.671 1.077 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.009 -3.865 1.902 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.104 -1.767 1.729 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.372 -4.006 3.236 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.478 -1.878 3.032 1.00 0.00 C ATOM 158 CH2 TRP A 8 -1.113 -2.994 3.785 1.00 0.00 C ATOM 0 H TRP A 8 0.062 -0.027 0.154 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.194 -0.409 -2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.171 -2.572 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.914 -1.432 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.328 -4.463 -1.001 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.125 -5.570 1.328 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.388 -0.896 1.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.083 -4.873 3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.064 -1.094 3.488 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.420 -3.061 4.818 1.00 0.00 H new ATOM 169 N ALA A 9 -2.983 -1.444 0.126 1.00 0.00 N ATOM 170 CA ALA A 9 -4.240 -1.992 0.544 1.00 0.00 C ATOM 171 C ALA A 9 -5.224 -0.849 0.658 1.00 0.00 C ATOM 172 O ALA A 9 -6.396 -0.976 0.316 1.00 0.00 O ATOM 173 CB ALA A 9 -4.111 -2.777 1.836 1.00 0.00 C ATOM 0 H ALA A 9 -2.513 -0.902 0.852 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.601 -2.711 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.085 -3.176 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.410 -3.599 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.745 -2.121 2.625 1.00 0.00 H new ATOM 179 N PHE A 10 -4.677 0.317 1.031 1.00 0.00 N ATOM 180 CA PHE A 10 -5.436 1.560 1.053 1.00 0.00 C ATOM 181 C PHE A 10 -6.026 1.661 -0.343 1.00 0.00 C ATOM 182 O PHE A 10 -7.017 2.337 -0.616 1.00 0.00 O ATOM 183 CB PHE A 10 -4.465 2.730 1.329 1.00 0.00 C ATOM 184 CG PHE A 10 -4.966 4.101 0.965 1.00 0.00 C ATOM 185 CD1 PHE A 10 -6.260 4.493 1.267 1.00 0.00 C ATOM 186 CD2 PHE A 10 -4.124 5.005 0.322 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.711 5.757 0.935 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.573 6.270 -0.010 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.868 6.646 0.297 1.00 0.00 C ATOM 0 H PHE A 10 -3.705 0.417 1.322 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.209 1.590 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.214 2.726 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.540 2.546 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.924 3.804 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.112 4.716 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.723 6.049 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.913 6.964 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.220 7.634 0.038 1.00 0.00 H new ATOM 199 N LEU A 11 -5.345 0.912 -1.200 1.00 0.00 N ATOM 200 CA LEU A 11 -5.635 0.752 -2.598 1.00 0.00 C ATOM 201 C LEU A 11 -6.507 -0.483 -2.841 1.00 0.00 C ATOM 202 O LEU A 11 -7.486 -0.430 -3.585 1.00 0.00 O ATOM 203 CB LEU A 11 -4.295 0.563 -3.293 1.00 0.00 C ATOM 204 CG LEU A 11 -3.402 1.794 -3.340 1.00 0.00 C ATOM 205 CD1 LEU A 11 -1.979 1.374 -3.645 1.00 0.00 C ATOM 206 CD2 LEU A 11 -3.906 2.784 -4.377 1.00 0.00 C ATOM 0 H LEU A 11 -4.529 0.373 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.178 1.618 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.754 -0.238 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.479 0.230 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.426 2.289 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.339 2.256 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.625 0.698 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.948 0.866 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.253 3.657 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.907 2.312 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.919 3.094 -4.122 1.00 0.00 H new