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 -6.247 -0.019 1.145 1.00 0.00 N ATOM 28 CA ARG A 2 -5.274 -0.162 0.068 1.00 0.00 C ATOM 29 C ARG A 2 -4.603 1.174 -0.249 1.00 0.00 C ATOM 30 O ARG A 2 -4.044 1.357 -1.331 1.00 0.00 O ATOM 31 CB ARG A 2 -5.951 -0.712 -1.190 1.00 0.00 C ATOM 32 CG ARG A 2 -6.894 -1.875 -0.920 1.00 0.00 C ATOM 33 CD ARG A 2 -8.149 -1.786 -1.773 1.00 0.00 C ATOM 34 NE ARG A 2 -8.898 -0.557 -1.518 1.00 0.00 N ATOM 35 CZ ARG A 2 -10.173 -0.382 -1.858 1.00 0.00 C ATOM 36 NH1 ARG A 2 -10.844 -1.351 -2.468 1.00 0.00 N ATOM 37 NH2 ARG A 2 -10.780 0.765 -1.586 1.00 0.00 N ATOM 0 HA ARG A 2 -4.508 -0.863 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.508 0.091 -1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.183 -1.034 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.381 -2.815 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.170 -1.884 0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.875 -1.832 -2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.786 -2.647 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.415 0.212 -1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.383 -2.236 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.821 -1.211 -2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.270 1.513 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.757 0.899 -1.846 1.00 0.00 H new ATOM 51 N LEU A 3 -4.654 2.100 0.704 1.00 0.00 N ATOM 52 CA LEU A 3 -4.045 3.411 0.534 1.00 0.00 C ATOM 53 C LEU A 3 -2.573 3.348 0.911 1.00 0.00 C ATOM 54 O LEU A 3 -1.699 3.808 0.176 1.00 0.00 O ATOM 55 CB LEU A 3 -4.792 4.451 1.376 1.00 0.00 C ATOM 56 CG LEU A 3 -4.517 4.427 2.884 1.00 0.00 C ATOM 57 CD1 LEU A 3 -4.884 5.765 3.509 1.00 0.00 C ATOM 58 CD2 LEU A 3 -5.288 3.298 3.553 1.00 0.00 C ATOM 0 H LEU A 3 -5.113 1.964 1.605 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.116 3.712 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.541 5.442 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.862 4.313 1.221 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.452 4.251 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.684 5.734 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.289 6.556 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.943 5.966 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.079 3.299 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.356 3.442 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.982 2.344 3.124 1.00 0.00 H new ATOM 70 N ILE A 4 -2.324 2.740 2.057 1.00 0.00 N ATOM 71 CA ILE A 4 -0.983 2.549 2.577 1.00 0.00 C ATOM 72 C ILE A 4 -0.318 1.368 1.901 1.00 0.00 C ATOM 73 O ILE A 4 0.887 1.172 1.997 1.00 0.00 O ATOM 74 CB ILE A 4 -0.986 2.328 4.103 1.00 0.00 C ATOM 75 CG1 ILE A 4 -1.974 1.222 4.479 1.00 0.00 C ATOM 76 CG2 ILE A 4 -1.328 3.623 4.826 1.00 0.00 C ATOM 77 CD1 ILE A 4 -1.665 0.560 5.804 1.00 0.00 C ATOM 0 H ILE A 4 -3.055 2.361 2.659 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.423 3.459 2.364 1.00 0.00 H new ATOM 0 HB ILE A 4 0.012 2.016 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.979 1.642 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.975 0.465 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.326 3.450 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.588 4.384 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.316 3.963 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.406 -0.213 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.673 0.110 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.693 1.306 6.599 1.00 0.00 H new ATOM 89 N ARG A 5 -1.152 0.566 1.272 1.00 0.00 N ATOM 90 CA ARG A 5 -0.741 -0.658 0.609 1.00 0.00 C ATOM 91 C ARG A 5 -0.144 -0.420 -0.734 1.00 0.00 C ATOM 92 O ARG A 5 1.050 -0.618 -0.908 1.00 0.00 O ATOM 93 CB ARG A 5 -1.957 -1.538 0.493 1.00 0.00 C ATOM 94 CG ARG A 5 -2.480 -1.817 1.862 1.00 0.00 C ATOM 95 CD ARG A 5 -1.448 -2.630 2.601 1.00 0.00 C ATOM 96 NE ARG A 5 -1.960 -3.934 3.020 1.00 0.00 N ATOM 97 CZ ARG A 5 -1.303 -4.763 3.828 1.00 0.00 C ATOM 98 NH1 ARG A 5 -0.112 -4.429 4.308 1.00 0.00 N ATOM 99 NH2 ARG A 5 -1.839 -5.931 4.157 1.00 0.00 N ATOM 0 H ARG A 5 -2.153 0.748 1.205 1.00 0.00 H new ATOM 0 HA ARG A 5 0.041 -1.133 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.721 -1.048 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.702 -2.470 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.680 -0.885 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.423 -2.360 1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.577 -2.773 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.113 -2.076 3.478 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.874 -4.225 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.305 -3.532 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.386 -5.069 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.754 -6.193 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.336 -6.567 4.776 1.00 0.00 H new ATOM 113 N LEU A 6 -0.936 0.077 -1.671 1.00 0.00 N ATOM 114 CA LEU A 6 -0.407 0.397 -2.984 1.00 0.00 C ATOM 115 C LEU A 6 0.883 1.166 -2.794 1.00 0.00 C ATOM 116 O LEU A 6 1.714 1.275 -3.695 1.00 0.00 O ATOM 117 CB LEU A 6 -1.413 1.206 -3.807 1.00 0.00 C ATOM 118 CG LEU A 6 -2.163 0.412 -4.877 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.205 -0.062 -5.960 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.891 -0.769 -4.252 1.00 0.00 C ATOM 0 H LEU A 6 -1.931 0.265 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.216 -0.522 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.142 1.649 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.886 2.029 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.903 1.067 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.757 -0.625 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.730 0.800 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.441 -0.701 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.419 -1.323 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.169 -1.425 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.607 -0.406 -3.514 1.00 0.00 H new ATOM 132 N ILE A 7 1.029 1.682 -1.581 1.00 0.00 N ATOM 133 CA ILE A 7 2.165 2.418 -1.192 1.00 0.00 C ATOM 134 C ILE A 7 3.173 1.494 -0.597 1.00 0.00 C ATOM 135 O ILE A 7 4.328 1.436 -1.010 1.00 0.00 O ATOM 136 CB ILE A 7 1.726 3.500 -0.179 1.00 0.00 C ATOM 137 CG1 ILE A 7 1.283 4.766 -0.914 1.00 0.00 C ATOM 138 CG2 ILE A 7 2.835 3.821 0.817 1.00 0.00 C ATOM 139 CD1 ILE A 7 0.073 4.560 -1.799 1.00 0.00 C ATOM 0 H ILE A 7 0.331 1.583 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 7 2.623 2.907 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 7 0.882 3.104 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.059 5.542 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.110 5.131 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.489 4.586 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.099 2.920 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.711 4.188 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.184 5.499 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.299 3.807 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.768 4.225 -1.193 1.00 0.00 H new ATOM 151 N LEU A 8 2.692 0.754 0.347 1.00 0.00 N ATOM 152 CA LEU A 8 3.470 -0.221 1.036 1.00 0.00 C ATOM 153 C LEU A 8 3.996 -1.276 0.090 1.00 0.00 C ATOM 154 O LEU A 8 4.880 -2.068 0.417 1.00 0.00 O ATOM 155 CB LEU A 8 2.583 -0.799 2.108 1.00 0.00 C ATOM 156 CG LEU A 8 2.958 -2.175 2.670 1.00 0.00 C ATOM 157 CD1 LEU A 8 2.639 -3.278 1.669 1.00 0.00 C ATOM 158 CD2 LEU A 8 4.428 -2.211 3.069 1.00 0.00 C ATOM 0 H LEU A 8 1.725 0.812 0.668 1.00 0.00 H new ATOM 0 HA LEU A 8 4.357 0.227 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.554 -0.093 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.571 -0.863 1.709 1.00 0.00 H new ATOM 0 HG LEU A 8 2.359 -2.351 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.914 -4.244 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.572 -3.270 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.202 -3.110 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.673 -3.196 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.047 -2.007 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.617 -1.456 3.832 1.00 0.00 H new ATOM 170 N ARG A 9 3.414 -1.273 -1.071 1.00 0.00 N ATOM 171 CA ARG A 9 3.730 -2.194 -2.118 1.00 0.00 C ATOM 172 C ARG A 9 5.031 -1.831 -2.817 1.00 0.00 C ATOM 173 O ARG A 9 5.915 -2.670 -2.988 1.00 0.00 O ATOM 174 CB ARG A 9 2.570 -2.102 -3.059 1.00 0.00 C ATOM 175 CG ARG A 9 1.260 -2.498 -2.405 1.00 0.00 C ATOM 176 CD ARG A 9 1.283 -3.947 -1.945 1.00 0.00 C ATOM 177 NE ARG A 9 1.743 -4.848 -2.999 1.00 0.00 N ATOM 178 CZ ARG A 9 1.019 -5.169 -4.068 1.00 0.00 C ATOM 179 NH1 ARG A 9 -0.198 -4.665 -4.229 1.00 0.00 N ATOM 180 NH2 ARG A 9 1.513 -5.995 -4.980 1.00 0.00 N ATOM 0 H ARG A 9 2.683 -0.608 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 9 3.881 -3.204 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.491 -1.082 -3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.752 -2.746 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.067 -1.847 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.441 -2.352 -3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.935 -4.042 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.283 -4.242 -1.626 1.00 0.00 H new ATOM 0 HE ARG A 9 2.674 -5.255 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.583 -4.028 -3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.749 -4.914 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.448 -6.384 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.958 -6.241 -5.799 1.00 0.00 H new ATOM 194 N LEU A 10 5.153 -0.565 -3.179 1.00 0.00 N ATOM 195 CA LEU A 10 6.364 -0.066 -3.817 1.00 0.00 C ATOM 196 C LEU A 10 7.350 0.276 -2.720 1.00 0.00 C ATOM 197 O LEU A 10 8.568 0.259 -2.901 1.00 0.00 O ATOM 198 CB LEU A 10 6.059 1.164 -4.673 1.00 0.00 C ATOM 199 CG LEU A 10 5.080 0.923 -5.823 1.00 0.00 C ATOM 200 CD1 LEU A 10 4.895 2.191 -6.643 1.00 0.00 C ATOM 201 CD2 LEU A 10 5.566 -0.218 -6.704 1.00 0.00 C ATOM 0 H LEU A 10 4.428 0.139 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 10 6.782 -0.823 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.655 1.945 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.994 1.543 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 10 4.114 0.645 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.195 1.999 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.502 2.983 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.855 2.501 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.858 -0.377 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.543 0.032 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.645 -1.128 -6.110 1.00 0.00 H new ATOM 213 N LEU A 11 6.770 0.563 -1.566 1.00 0.00 N ATOM 214 CA LEU A 11 7.493 0.896 -0.365 1.00 0.00 C ATOM 215 C LEU A 11 8.134 -0.353 0.217 1.00 0.00 C ATOM 216 O LEU A 11 9.273 -0.330 0.684 1.00 0.00 O ATOM 217 CB LEU A 11 6.490 1.466 0.627 1.00 0.00 C ATOM 218 CG LEU A 11 6.135 2.945 0.454 1.00 0.00 C ATOM 219 CD1 LEU A 11 5.648 3.532 1.770 1.00 0.00 C ATOM 220 CD2 LEU A 11 7.319 3.744 -0.076 1.00 0.00 C ATOM 0 H LEU A 11 5.757 0.569 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 11 8.280 1.619 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.572 0.883 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.884 1.324 1.633 1.00 0.00 H new ATOM 0 HG LEU A 11 5.332 3.010 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.400 4.584 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.762 2.992 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.433 3.442 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.032 4.790 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.151 3.668 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.622 3.346 -1.045 1.00 0.00 H new ATOM 232 N ARG A 12 7.376 -1.447 0.185 1.00 0.00 N ATOM 233 CA ARG A 12 7.843 -2.728 0.710 1.00 0.00 C ATOM 234 C ARG A 12 7.832 -2.726 2.235 1.00 0.00 C ATOM 235 O ARG A 12 7.716 -1.630 2.823 1.00 0.00 O ATOM 236 CB ARG A 12 9.253 -3.037 0.200 1.00 0.00 C ATOM 237 CG ARG A 12 9.493 -4.514 -0.066 1.00 0.00 C ATOM 238 CD ARG A 12 10.205 -4.738 -1.391 1.00 0.00 C ATOM 239 NE ARG A 12 9.402 -4.290 -2.528 1.00 0.00 N ATOM 240 CZ ARG A 12 9.559 -3.116 -3.140 1.00 0.00 C ATOM 241 NH1 ARG A 12 10.479 -2.253 -2.725 1.00 0.00 N ATOM 242 NH2 ARG A 12 8.788 -2.801 -4.172 1.00 0.00 N ATOM 243 OXT ARG A 12 7.938 -3.820 2.828 1.00 0.00 O ATOM 0 H ARG A 12 6.432 -1.472 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 12 7.162 -3.503 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.429 -2.478 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.980 -2.685 0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.088 -4.938 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.540 -5.043 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.156 -4.205 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.434 -5.798 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 12 8.675 -4.916 -2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.075 -2.485 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.590 -1.358 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.077 -3.456 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.906 -1.903 -4.642 1.00 0.00 H new