USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 129 hydrogens (0 hets) ATOM 27 N ARG A 2 -6.290 -0.051 1.385 1.00 0.00 N ATOM 28 CA ARG A 2 -5.286 -0.249 0.344 1.00 0.00 C ATOM 29 C ARG A 2 -4.672 1.082 -0.084 1.00 0.00 C ATOM 30 O ARG A 2 -4.214 1.229 -1.217 1.00 0.00 O ATOM 31 CB ARG A 2 -5.901 -0.952 -0.871 1.00 0.00 C ATOM 32 CG ARG A 2 -6.827 -2.103 -0.509 1.00 0.00 C ATOM 33 CD ARG A 2 -8.009 -2.191 -1.463 1.00 0.00 C ATOM 34 NE ARG A 2 -8.695 -0.909 -1.605 1.00 0.00 N ATOM 35 CZ ARG A 2 -9.692 -0.691 -2.459 1.00 0.00 C ATOM 36 NH1 ARG A 2 -10.129 -1.670 -3.242 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.255 0.507 -2.530 1.00 0.00 N ATOM 0 HA ARG A 2 -4.498 -0.878 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.457 -0.222 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.099 -1.329 -1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.270 -3.040 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.190 -1.972 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.662 -2.526 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.713 -2.940 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.392 -0.135 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.700 -2.594 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.893 -1.498 -3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.924 1.262 -1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.019 0.673 -3.185 1.00 0.00 H new ATOM 51 N LEU A 3 -4.651 2.043 0.835 1.00 0.00 N ATOM 52 CA LEU A 3 -4.074 3.359 0.555 1.00 0.00 C ATOM 53 C LEU A 3 -2.575 3.322 0.800 1.00 0.00 C ATOM 54 O LEU A 3 -1.769 3.540 -0.105 1.00 0.00 O ATOM 55 CB LEU A 3 -4.725 4.449 1.416 1.00 0.00 C ATOM 56 CG LEU A 3 -5.242 4.002 2.787 1.00 0.00 C ATOM 57 CD1 LEU A 3 -5.060 5.108 3.814 1.00 0.00 C ATOM 58 CD2 LEU A 3 -6.704 3.596 2.695 1.00 0.00 C ATOM 0 H LEU A 3 -5.025 1.938 1.778 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.266 3.602 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.999 5.248 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.558 4.877 0.857 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.662 3.137 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.433 4.771 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.002 5.355 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.614 5.992 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.057 3.281 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.296 4.444 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.809 2.771 1.990 1.00 0.00 H new ATOM 70 N ILE A 4 -2.222 3.003 2.036 1.00 0.00 N ATOM 71 CA ILE A 4 -0.837 2.878 2.449 1.00 0.00 C ATOM 72 C ILE A 4 -0.191 1.681 1.785 1.00 0.00 C ATOM 73 O ILE A 4 1.025 1.535 1.780 1.00 0.00 O ATOM 74 CB ILE A 4 -0.708 2.740 3.979 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.506 1.532 4.473 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.180 4.012 4.667 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.018 0.984 5.797 1.00 0.00 C ATOM 0 H ILE A 4 -2.893 2.823 2.783 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.327 3.790 2.140 1.00 0.00 H new ATOM 0 HB ILE A 4 0.342 2.584 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.554 1.815 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.457 0.743 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.083 3.899 5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.572 4.853 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.224 4.197 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.630 0.129 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.021 0.670 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.093 1.758 6.561 1.00 0.00 H new ATOM 89 N ARG A 5 -1.047 0.818 1.282 1.00 0.00 N ATOM 90 CA ARG A 5 -0.669 -0.433 0.650 1.00 0.00 C ATOM 91 C ARG A 5 -0.113 -0.260 -0.721 1.00 0.00 C ATOM 92 O ARG A 5 1.066 -0.512 -0.925 1.00 0.00 O ATOM 93 CB ARG A 5 -1.889 -1.310 0.625 1.00 0.00 C ATOM 94 CG ARG A 5 -2.282 -1.602 2.031 1.00 0.00 C ATOM 95 CD ARG A 5 -1.214 -2.475 2.641 1.00 0.00 C ATOM 96 NE ARG A 5 -1.732 -3.772 3.073 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.110 -4.569 3.938 1.00 0.00 C ATOM 98 NH1 ARG A 5 0.049 -4.203 4.472 1.00 0.00 N ATOM 99 NH2 ARG A 5 -1.648 -5.734 4.272 1.00 0.00 N ATOM 0 H ARG A 5 -2.056 0.970 1.301 1.00 0.00 H new ATOM 0 HA ARG A 5 0.136 -0.887 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.704 -0.813 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.681 -2.236 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.387 -0.677 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.248 -2.105 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.416 -2.629 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.772 -1.961 3.495 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.623 -4.085 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.467 -3.307 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.522 -4.818 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.539 -6.019 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.171 -6.345 4.935 1.00 0.00 H new ATOM 113 N LEU A 6 -0.915 0.230 -1.655 1.00 0.00 N ATOM 114 CA LEU A 6 -0.404 0.484 -2.992 1.00 0.00 C ATOM 115 C LEU A 6 0.919 1.210 -2.844 1.00 0.00 C ATOM 116 O LEU A 6 1.747 1.253 -3.754 1.00 0.00 O ATOM 117 CB LEU A 6 -1.395 1.301 -3.826 1.00 0.00 C ATOM 118 CG LEU A 6 -2.098 0.520 -4.937 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.108 0.132 -6.024 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.781 -0.715 -4.370 1.00 0.00 C ATOM 0 H LEU A 6 -1.900 0.455 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.262 -0.457 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.151 1.718 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.865 2.142 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.860 1.161 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.626 -0.423 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.665 1.032 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.323 -0.491 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.276 -1.259 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.037 -1.359 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.520 -0.414 -3.627 1.00 0.00 H new ATOM 132 N ILE A 7 1.096 1.755 -1.645 1.00 0.00 N ATOM 133 CA ILE A 7 2.265 2.455 -1.271 1.00 0.00 C ATOM 134 C ILE A 7 3.229 1.497 -0.649 1.00 0.00 C ATOM 135 O ILE A 7 4.398 1.414 -1.017 1.00 0.00 O ATOM 136 CB ILE A 7 1.871 3.577 -0.283 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.467 4.839 -1.045 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.996 3.884 0.698 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.113 4.734 -1.712 1.00 0.00 C ATOM 0 H ILE A 7 0.396 1.707 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 7 2.745 2.906 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 7 1.017 3.224 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.459 5.683 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.221 5.053 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.681 4.677 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.232 2.988 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.880 4.206 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.109 5.665 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.122 3.911 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.651 4.551 -0.957 1.00 0.00 H new ATOM 151 N LEU A 8 2.690 0.753 0.264 1.00 0.00 N ATOM 152 CA LEU A 8 3.409 -0.258 0.971 1.00 0.00 C ATOM 153 C LEU A 8 3.951 -1.308 0.032 1.00 0.00 C ATOM 154 O LEU A 8 4.793 -2.132 0.387 1.00 0.00 O ATOM 155 CB LEU A 8 2.457 -0.865 1.965 1.00 0.00 C ATOM 156 CG LEU A 8 3.054 -1.274 3.311 1.00 0.00 C ATOM 157 CD1 LEU A 8 3.938 -2.503 3.153 1.00 0.00 C ATOM 158 CD2 LEU A 8 3.841 -0.122 3.921 1.00 0.00 C ATOM 0 H LEU A 8 1.713 0.834 0.545 1.00 0.00 H new ATOM 0 HA LEU A 8 4.271 0.176 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.654 -0.151 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.003 -1.745 1.510 1.00 0.00 H new ATOM 0 HG LEU A 8 2.236 -1.525 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.354 -2.779 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.345 -3.330 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.749 -2.281 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.258 -0.433 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.650 0.162 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.179 0.730 4.073 1.00 0.00 H new ATOM 170 N ARG A 9 3.419 -1.266 -1.151 1.00 0.00 N ATOM 171 CA ARG A 9 3.746 -2.177 -2.203 1.00 0.00 C ATOM 172 C ARG A 9 5.070 -1.824 -2.865 1.00 0.00 C ATOM 173 O ARG A 9 5.942 -2.676 -3.034 1.00 0.00 O ATOM 174 CB ARG A 9 2.606 -2.054 -3.165 1.00 0.00 C ATOM 175 CG ARG A 9 1.269 -2.409 -2.534 1.00 0.00 C ATOM 176 CD ARG A 9 1.231 -3.861 -2.081 1.00 0.00 C ATOM 177 NE ARG A 9 1.774 -4.765 -3.092 1.00 0.00 N ATOM 178 CZ ARG A 9 1.114 -5.135 -4.188 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.112 -4.681 -4.419 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.682 -5.962 -5.056 1.00 0.00 N ATOM 0 H ARG A 9 2.721 -0.572 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 9 3.875 -3.196 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.565 -1.033 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.785 -2.706 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.084 -1.756 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.468 -2.230 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.799 -3.967 -1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.202 -4.144 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 9 2.714 -5.135 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.554 -4.045 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.612 -4.968 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.624 -6.314 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.177 -6.246 -5.896 1.00 0.00 H new ATOM 194 N LEU A 10 5.226 -0.551 -3.196 1.00 0.00 N ATOM 195 CA LEU A 10 6.461 -0.062 -3.793 1.00 0.00 C ATOM 196 C LEU A 10 7.426 0.235 -2.663 1.00 0.00 C ATOM 197 O LEU A 10 8.647 0.209 -2.818 1.00 0.00 O ATOM 198 CB LEU A 10 6.202 1.197 -4.624 1.00 0.00 C ATOM 199 CG LEU A 10 5.202 1.020 -5.768 1.00 0.00 C ATOM 200 CD1 LEU A 10 5.070 2.309 -6.564 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.627 -0.127 -6.672 1.00 0.00 C ATOM 0 H LEU A 10 4.511 0.164 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 10 6.879 -0.811 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.839 1.983 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.149 1.542 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 10 4.228 0.779 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.355 2.165 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.721 3.107 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.040 2.580 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.905 -0.240 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.611 0.085 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.670 -1.050 -6.093 1.00 0.00 H new ATOM 213 N LEU A 11 6.823 0.493 -1.514 1.00 0.00 N ATOM 214 CA LEU A 11 7.523 0.779 -0.286 1.00 0.00 C ATOM 215 C LEU A 11 8.131 -0.495 0.272 1.00 0.00 C ATOM 216 O LEU A 11 9.263 -0.506 0.755 1.00 0.00 O ATOM 217 CB LEU A 11 6.506 1.332 0.702 1.00 0.00 C ATOM 218 CG LEU A 11 6.190 2.824 0.584 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.654 3.358 1.903 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.415 3.620 0.150 1.00 0.00 C ATOM 0 H LEU A 11 5.808 0.508 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 11 8.324 1.497 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.577 0.775 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.869 1.138 1.711 1.00 0.00 H new ATOM 0 HG LEU A 11 5.425 2.942 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.434 4.421 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.743 2.822 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.401 3.214 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.155 4.676 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.211 3.493 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.757 3.262 -0.821 1.00 0.00 H new ATOM 232 N ARG A 12 7.353 -1.571 0.202 1.00 0.00 N ATOM 233 CA ARG A 12 7.786 -2.873 0.701 1.00 0.00 C ATOM 234 C ARG A 12 7.768 -2.903 2.225 1.00 0.00 C ATOM 235 O ARG A 12 7.561 -1.832 2.834 1.00 0.00 O ATOM 236 CB ARG A 12 9.191 -3.205 0.191 1.00 0.00 C ATOM 237 CG ARG A 12 9.393 -4.679 -0.123 1.00 0.00 C ATOM 238 CD ARG A 12 10.134 -4.877 -1.437 1.00 0.00 C ATOM 239 NE ARG A 12 9.363 -4.388 -2.579 1.00 0.00 N ATOM 240 CZ ARG A 12 9.546 -3.198 -3.152 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.473 -2.363 -2.698 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.794 -2.842 -4.185 1.00 0.00 N ATOM 243 OXT ARG A 12 7.960 -3.996 2.798 1.00 0.00 O ATOM 0 H ARG A 12 6.415 -1.567 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 12 7.088 -3.623 0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.390 -2.620 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.922 -2.898 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.953 -5.150 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.425 -5.177 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.091 -4.356 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.353 -5.936 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 12 8.639 -4.996 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.054 -2.629 -1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.604 -1.455 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.079 -3.478 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.931 -1.933 -4.626 1.00 0.00 H new