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 -6.987 0.032 -0.275 1.00 0.00 N ATOM 44 CA ARG A 3 -6.215 1.234 0.019 1.00 0.00 C ATOM 45 C ARG A 3 -4.733 0.907 0.145 1.00 0.00 C ATOM 46 O ARG A 3 -3.887 1.577 -0.436 1.00 0.00 O ATOM 47 CB ARG A 3 -6.703 1.903 1.307 1.00 0.00 C ATOM 48 CG ARG A 3 -8.077 2.547 1.191 1.00 0.00 C ATOM 49 CD ARG A 3 -9.178 1.510 1.026 1.00 0.00 C ATOM 50 NE ARG A 3 -10.499 2.125 0.915 1.00 0.00 N ATOM 51 CZ ARG A 3 -10.864 2.923 -0.087 1.00 0.00 C ATOM 52 NH1 ARG A 3 -10.020 3.186 -1.076 1.00 0.00 N ATOM 53 NH2 ARG A 3 -12.079 3.454 -0.101 1.00 0.00 N ATOM 0 HA ARG A 3 -6.359 1.926 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.728 1.159 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.981 2.664 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.273 3.146 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.088 3.227 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.981 0.911 0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.165 0.830 1.878 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.182 1.932 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.086 2.776 -1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.305 3.798 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.733 3.251 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.360 4.065 -0.868 1.00 0.00 H new ATOM 67 N PHE A 4 -4.426 -0.131 0.907 1.00 0.00 N ATOM 68 CA PHE A 4 -3.045 -0.550 1.113 1.00 0.00 C ATOM 69 C PHE A 4 -2.302 -0.658 -0.204 1.00 0.00 C ATOM 70 O PHE A 4 -1.084 -0.538 -0.261 1.00 0.00 O ATOM 71 CB PHE A 4 -3.012 -1.883 1.852 1.00 0.00 C ATOM 72 CG PHE A 4 -3.500 -1.787 3.266 1.00 0.00 C ATOM 73 CD1 PHE A 4 -3.872 -0.564 3.799 1.00 0.00 C ATOM 74 CD2 PHE A 4 -3.610 -2.918 4.052 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.341 -0.468 5.088 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.075 -2.831 5.348 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.443 -1.603 5.870 1.00 0.00 C ATOM 0 H PHE A 4 -5.116 -0.702 1.395 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.544 0.207 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.624 -2.606 1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.991 -2.266 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.793 0.327 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.329 -3.879 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.629 0.493 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.152 -3.721 5.955 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.808 -1.532 6.884 1.00 0.00 H new ATOM 87 N ALA A 5 -3.043 -0.889 -1.262 1.00 0.00 N ATOM 88 CA ALA A 5 -2.455 -1.020 -2.574 1.00 0.00 C ATOM 89 C ALA A 5 -1.634 0.211 -2.964 1.00 0.00 C ATOM 90 O ALA A 5 -0.553 0.080 -3.538 1.00 0.00 O ATOM 91 CB ALA A 5 -3.549 -1.282 -3.588 1.00 0.00 C ATOM 0 H ALA A 5 -4.058 -0.990 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.763 -1.862 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.109 -1.382 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.072 -2.202 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.254 -0.451 -3.585 1.00 0.00 H new ATOM 97 N TRP A 6 -2.148 1.406 -2.668 1.00 0.00 N ATOM 98 CA TRP A 6 -1.440 2.635 -3.019 1.00 0.00 C ATOM 99 C TRP A 6 -0.403 3.045 -1.972 1.00 0.00 C ATOM 100 O TRP A 6 0.071 4.181 -1.999 1.00 0.00 O ATOM 101 CB TRP A 6 -2.424 3.791 -3.251 1.00 0.00 C ATOM 102 CG TRP A 6 -3.384 3.981 -2.127 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.691 3.626 -2.124 1.00 0.00 C ATOM 104 CD2 TRP A 6 -3.115 4.550 -0.837 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.256 3.928 -0.916 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.308 4.496 -0.102 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.983 5.090 -0.233 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.395 4.961 1.215 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -2.062 5.535 1.076 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.252 5.466 1.785 1.00 0.00 C ATOM 0 H TRP A 6 -3.039 1.547 -2.193 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.905 2.420 -3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.862 4.713 -3.400 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.982 3.606 -4.169 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.211 3.171 -2.954 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.229 3.758 -0.660 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.054 5.161 -0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.325 4.924 1.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.183 5.942 1.553 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.280 5.817 2.806 1.00 0.00 H new ATOM 121 N TRP A 7 -0.040 2.148 -1.045 1.00 0.00 N ATOM 122 CA TRP A 7 0.939 2.524 -0.022 1.00 0.00 C ATOM 123 C TRP A 7 1.521 1.364 0.758 1.00 0.00 C ATOM 124 O TRP A 7 2.725 1.321 0.987 1.00 0.00 O ATOM 125 CB TRP A 7 0.320 3.491 0.931 1.00 0.00 C ATOM 126 CG TRP A 7 -0.671 2.856 1.813 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.957 2.505 1.543 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.420 2.490 3.128 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.530 1.971 2.660 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.589 1.942 3.645 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.700 2.587 3.915 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -1.668 1.489 4.931 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.634 2.137 5.187 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.545 1.587 5.701 1.00 0.00 C ATOM 0 H TRP A 7 -0.394 1.194 -0.983 1.00 0.00 H new ATOM 0 HA TRP A 7 1.772 2.971 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.101 3.949 1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.159 4.293 0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.449 2.630 0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.494 1.650 2.743 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.613 3.013 3.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -2.583 1.070 5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.508 2.203 5.819 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.567 1.235 6.722 1.00 0.00 H new ATOM 145 N TRP A 8 0.700 0.433 1.183 1.00 0.00 N ATOM 146 CA TRP A 8 1.225 -0.692 1.917 1.00 0.00 C ATOM 147 C TRP A 8 2.368 -1.252 1.091 1.00 0.00 C ATOM 148 O TRP A 8 3.382 -1.718 1.613 1.00 0.00 O ATOM 149 CB TRP A 8 0.137 -1.725 2.135 1.00 0.00 C ATOM 150 CG TRP A 8 0.329 -2.970 1.344 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.189 -3.260 0.121 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.096 -4.092 1.740 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.201 -4.521 -0.264 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.995 -5.052 0.720 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.857 -4.371 2.870 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.630 -6.285 0.801 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.491 -5.595 2.953 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.371 -6.540 1.922 1.00 0.00 C ATOM 0 H TRP A 8 -0.310 0.430 1.038 1.00 0.00 H new ATOM 0 HA TRP A 8 1.581 -0.398 2.904 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.097 -1.980 3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.826 -1.286 1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.814 -2.599 -0.461 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.057 -4.984 -1.135 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.950 -3.646 3.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.542 -7.014 0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.087 -5.828 3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.875 -7.490 2.016 1.00 0.00 H new ATOM 169 N ALA A 9 2.191 -1.134 -0.223 1.00 0.00 N ATOM 170 CA ALA A 9 3.189 -1.549 -1.179 1.00 0.00 C ATOM 171 C ALA A 9 4.307 -0.505 -1.190 1.00 0.00 C ATOM 172 O ALA A 9 5.492 -0.826 -1.250 1.00 0.00 O ATOM 173 CB ALA A 9 2.562 -1.699 -2.555 1.00 0.00 C ATOM 0 H ALA A 9 1.347 -0.746 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 9 3.604 -2.518 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.323 -2.012 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.771 -2.448 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.141 -0.744 -2.869 1.00 0.00 H new ATOM 179 N PHE A 10 3.885 0.756 -1.079 1.00 0.00 N ATOM 180 CA PHE A 10 4.786 1.906 -1.011 1.00 0.00 C ATOM 181 C PHE A 10 5.834 1.657 0.078 1.00 0.00 C ATOM 182 O PHE A 10 6.977 2.103 -0.023 1.00 0.00 O ATOM 183 CB PHE A 10 3.923 3.164 -0.722 1.00 0.00 C ATOM 184 CG PHE A 10 4.577 4.320 -0.011 1.00 0.00 C ATOM 185 CD1 PHE A 10 5.878 4.706 -0.292 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.857 5.034 0.951 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.456 5.773 0.369 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.435 6.101 1.611 1.00 0.00 C ATOM 189 CZ PHE A 10 5.735 6.470 1.321 1.00 0.00 C ATOM 0 H PHE A 10 2.898 1.009 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 10 5.323 2.059 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.538 3.531 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.063 2.851 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.446 4.167 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.841 4.749 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.471 6.063 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.871 6.647 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.188 7.303 1.838 1.00 0.00 H new ATOM 199 N LEU A 11 5.427 0.921 1.111 1.00 0.00 N ATOM 200 CA LEU A 11 6.309 0.585 2.225 1.00 0.00 C ATOM 201 C LEU A 11 7.213 -0.600 1.890 1.00 0.00 C ATOM 202 O LEU A 11 8.436 -0.510 2.007 1.00 0.00 O ATOM 203 CB LEU A 11 5.475 0.238 3.456 1.00 0.00 C ATOM 204 CG LEU A 11 4.389 1.248 3.813 1.00 0.00 C ATOM 205 CD1 LEU A 11 3.455 0.660 4.856 1.00 0.00 C ATOM 206 CD2 LEU A 11 5.004 2.545 4.317 1.00 0.00 C ATOM 0 H LEU A 11 4.483 0.544 1.198 1.00 0.00 H new ATOM 0 HA LEU A 11 6.937 1.454 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.007 -0.733 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.144 0.132 4.310 1.00 0.00 H new ATOM 0 HG LEU A 11 3.815 1.474 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.683 1.388 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.989 -0.242 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.022 0.411 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.212 3.251 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.602 2.343 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.640 2.972 3.541 1.00 0.00 H new