USER MOD reduce.3.24.130724 H: found=0, std=0, add=83, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 84 hydrogens (0 hets) ATOM 43 N ARG A 3 7.621 -1.710 0.323 1.00 0.00 N ATOM 44 CA ARG A 3 7.003 -2.226 1.536 1.00 0.00 C ATOM 45 C ARG A 3 5.857 -1.335 2.009 1.00 0.00 C ATOM 46 O ARG A 3 5.507 -1.343 3.190 1.00 0.00 O ATOM 47 CB ARG A 3 8.049 -2.404 2.644 1.00 0.00 C ATOM 48 CG ARG A 3 8.877 -1.161 2.944 1.00 0.00 C ATOM 49 CD ARG A 3 8.063 -0.088 3.652 1.00 0.00 C ATOM 50 NE ARG A 3 8.902 0.987 4.176 1.00 0.00 N ATOM 51 CZ ARG A 3 9.820 0.816 5.125 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.003 -0.379 5.671 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.552 1.844 5.532 1.00 0.00 N ATOM 0 HA ARG A 3 6.580 -3.203 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.542 -2.715 3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.723 -3.213 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.731 -1.436 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.275 -0.758 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.333 0.329 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.503 -0.540 4.470 1.00 0.00 H new ATOM 0 HE ARG A 3 8.777 1.924 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.439 -1.172 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.708 -0.505 6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.412 2.766 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.255 1.713 6.259 1.00 0.00 H new ATOM 67 N PHE A 4 5.254 -0.582 1.090 1.00 0.00 N ATOM 68 CA PHE A 4 4.140 0.284 1.454 1.00 0.00 C ATOM 69 C PHE A 4 3.218 0.540 0.266 1.00 0.00 C ATOM 70 O PHE A 4 2.005 0.606 0.420 1.00 0.00 O ATOM 71 CB PHE A 4 4.636 1.611 2.048 1.00 0.00 C ATOM 72 CG PHE A 4 5.065 2.636 1.032 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.126 3.318 0.265 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.407 2.923 0.852 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.528 4.262 -0.662 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.812 3.865 -0.074 1.00 0.00 C ATOM 77 CZ PHE A 4 5.871 4.535 -0.832 1.00 0.00 C ATOM 0 H PHE A 4 5.514 -0.555 0.104 1.00 0.00 H new ATOM 0 HA PHE A 4 3.564 -0.237 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.842 2.038 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.475 1.405 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.074 3.108 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.147 2.404 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.792 4.786 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.863 4.077 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.185 5.271 -1.557 1.00 0.00 H new ATOM 87 N ALA A 5 3.792 0.695 -0.917 1.00 0.00 N ATOM 88 CA ALA A 5 2.997 0.956 -2.109 1.00 0.00 C ATOM 89 C ALA A 5 2.399 -0.331 -2.680 1.00 0.00 C ATOM 90 O ALA A 5 2.597 -0.671 -3.846 1.00 0.00 O ATOM 91 CB ALA A 5 3.838 1.668 -3.142 1.00 0.00 C ATOM 0 H ALA A 5 4.798 0.645 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 5 2.163 1.600 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.237 1.860 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.193 2.614 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.691 1.045 -3.409 1.00 0.00 H new ATOM 97 N TRP A 6 1.662 -1.024 -1.830 1.00 0.00 N ATOM 98 CA TRP A 6 0.994 -2.276 -2.170 1.00 0.00 C ATOM 99 C TRP A 6 -0.278 -2.367 -1.372 1.00 0.00 C ATOM 100 O TRP A 6 -1.302 -2.865 -1.836 1.00 0.00 O ATOM 101 CB TRP A 6 1.819 -3.484 -1.760 1.00 0.00 C ATOM 102 CG TRP A 6 2.240 -3.396 -0.338 1.00 0.00 C ATOM 103 CD1 TRP A 6 2.988 -2.430 0.244 1.00 0.00 C ATOM 104 CD2 TRP A 6 1.891 -4.301 0.681 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.093 -2.657 1.590 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.429 -3.819 1.883 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.163 -5.470 0.678 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.246 -4.478 3.088 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.982 -6.141 1.870 1.00 0.00 C ATOM 110 CH2 TRP A 6 1.519 -5.638 3.064 1.00 0.00 C ATOM 0 H TRP A 6 1.506 -0.730 -0.866 1.00 0.00 H new ATOM 0 HA TRP A 6 0.832 -2.278 -3.248 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.237 -4.393 -1.913 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.700 -3.558 -2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.438 -1.599 -0.279 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.582 -2.063 2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.742 -5.854 -0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.660 -4.093 4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.421 -7.064 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.355 -6.178 3.985 1.00 0.00 H new ATOM 121 N TRP A 7 -0.167 -1.918 -0.131 1.00 0.00 N ATOM 122 CA TRP A 7 -1.253 -1.955 0.790 1.00 0.00 C ATOM 123 C TRP A 7 -2.253 -0.892 0.493 1.00 0.00 C ATOM 124 O TRP A 7 -3.366 -0.944 0.983 1.00 0.00 O ATOM 125 CB TRP A 7 -0.742 -1.846 2.220 1.00 0.00 C ATOM 126 CG TRP A 7 0.050 -0.608 2.514 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.346 -0.558 2.872 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.406 0.739 2.510 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.738 0.735 3.098 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.675 1.552 2.878 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.619 1.335 2.230 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.570 2.927 2.971 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.731 2.685 2.317 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.647 3.480 2.685 1.00 0.00 C ATOM 0 H TRP A 7 0.690 -1.519 0.251 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.758 -2.915 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.594 -1.885 2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.122 -2.716 2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.990 -1.420 2.968 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.671 1.034 3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.470 0.734 1.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.413 3.538 3.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.679 3.153 2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.771 4.551 2.745 1.00 0.00 H new ATOM 145 N TRP A 8 -1.869 0.085 -0.297 1.00 0.00 N ATOM 146 CA TRP A 8 -2.799 1.142 -0.599 1.00 0.00 C ATOM 147 C TRP A 8 -4.020 0.538 -1.181 1.00 0.00 C ATOM 148 O TRP A 8 -5.138 0.785 -0.743 1.00 0.00 O ATOM 149 CB TRP A 8 -2.274 2.137 -1.608 1.00 0.00 C ATOM 150 CG TRP A 8 -1.029 2.748 -1.198 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.156 2.200 -0.376 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.525 3.992 -1.599 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.905 3.049 -0.180 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.699 4.173 -0.948 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.007 4.966 -2.445 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.461 5.324 -1.124 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -0.264 6.104 -2.628 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.964 6.282 -1.970 1.00 0.00 C ATOM 0 H TRP A 8 -0.949 0.168 -0.729 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.985 1.673 0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.129 1.635 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.021 2.915 -1.766 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.260 1.225 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.706 2.877 0.428 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.951 4.836 -2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.404 5.457 -0.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.629 6.876 -3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.527 7.189 -2.133 1.00 0.00 H new ATOM 169 N PRO A 9 -3.812 -0.258 -2.223 1.00 0.00 N ATOM 170 CA PRO A 9 -4.889 -0.883 -2.897 1.00 0.00 C ATOM 171 C PRO A 9 -5.960 -1.351 -1.925 1.00 0.00 C ATOM 172 O PRO A 9 -7.144 -1.099 -2.138 1.00 0.00 O ATOM 173 CB PRO A 9 -4.195 -2.031 -3.611 1.00 0.00 C ATOM 174 CG PRO A 9 -2.901 -1.437 -4.020 1.00 0.00 C ATOM 175 CD PRO A 9 -2.510 -0.579 -2.861 1.00 0.00 C ATOM 0 HA PRO A 9 -5.430 -0.227 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.055 -2.889 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.769 -2.378 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.154 -2.206 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.003 -0.851 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.845 -1.105 -2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.987 0.321 -3.184 1.00 0.00 H new ATOM 183 N PHE A 10 -5.543 -1.988 -0.829 1.00 0.00 N ATOM 184 CA PHE A 10 -6.512 -2.413 0.181 1.00 0.00 C ATOM 185 C PHE A 10 -6.687 -1.335 1.247 1.00 0.00 C ATOM 186 O PHE A 10 -7.784 -0.820 1.452 1.00 0.00 O ATOM 187 CB PHE A 10 -6.126 -3.714 0.871 1.00 0.00 C ATOM 188 CG PHE A 10 -4.740 -4.210 0.616 1.00 0.00 C ATOM 189 CD1 PHE A 10 -4.362 -4.690 -0.627 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.817 -4.211 1.641 1.00 0.00 C ATOM 191 CE1 PHE A 10 -3.082 -5.159 -0.837 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.545 -4.685 1.442 1.00 0.00 C ATOM 193 CZ PHE A 10 -2.171 -5.160 0.200 1.00 0.00 C ATOM 0 H PHE A 10 -4.571 -2.216 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.446 -2.579 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.250 -3.582 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.829 -4.487 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.075 -4.697 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.099 -3.834 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.793 -5.525 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.836 -4.687 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.169 -5.531 0.041 1.00 0.00 H new ATOM 203 N LEU A 11 -5.595 -1.010 1.931 1.00 0.00 N ATOM 204 CA LEU A 11 -5.619 -0.001 2.981 1.00 0.00 C ATOM 205 C LEU A 11 -6.255 1.294 2.486 1.00 0.00 C ATOM 206 O LEU A 11 -7.222 1.791 3.064 1.00 0.00 O ATOM 207 CB LEU A 11 -4.217 0.287 3.495 1.00 0.00 C ATOM 208 CG LEU A 11 -3.457 -0.897 4.109 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.228 -0.383 4.822 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.340 -1.689 5.064 1.00 0.00 C ATOM 0 H LEU A 11 -4.680 -1.433 1.775 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.221 -0.400 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.625 0.681 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.283 1.076 4.245 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.158 -1.574 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.685 -1.220 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.585 0.135 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.527 0.308 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.771 -2.520 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.677 -1.039 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.204 -2.076 4.524 1.00 0.00 H new