USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 117 hydrogens (0 hets) ATOM 13 N PRO A 2 4.072 -1.008 -1.914 1.00 52.35 N ATOM 14 CA PRO A 2 5.520 -1.208 -1.801 1.00 75.52 C ATOM 15 C PRO A 2 6.281 0.109 -1.699 1.00 62.43 C ATOM 16 O PRO A 2 7.421 0.143 -1.237 1.00 25.24 O ATOM 17 CB PRO A 2 5.879 -1.935 -3.099 1.00 65.43 C ATOM 18 CG PRO A 2 4.817 -1.536 -4.064 1.00 72.31 C ATOM 19 CD PRO A 2 3.564 -1.360 -3.251 1.00 62.21 C ATOM 0 HA PRO A 2 5.787 -1.760 -0.900 1.00 75.52 H new ATOM 0 HB2 PRO A 2 6.867 -1.644 -3.455 1.00 65.43 H new ATOM 0 HB3 PRO A 2 5.898 -3.015 -2.955 1.00 65.43 H new ATOM 0 HG2 PRO A 2 5.083 -0.611 -4.577 1.00 72.31 H new ATOM 0 HG3 PRO A 2 4.681 -2.298 -4.831 1.00 72.31 H new ATOM 0 HD2 PRO A 2 2.927 -0.575 -3.659 1.00 62.21 H new ATOM 0 HD3 PRO A 2 2.969 -2.273 -3.227 1.00 62.21 H new ATOM 27 N ARG A 3 5.644 1.191 -2.134 1.00 34.30 N ATOM 28 CA ARG A 3 6.262 2.510 -2.092 1.00 41.21 C ATOM 29 C ARG A 3 5.955 3.213 -0.773 1.00 24.23 C ATOM 30 O ARG A 3 6.451 4.310 -0.513 1.00 33.23 O ATOM 31 CB ARG A 3 5.772 3.364 -3.263 1.00 12.11 C ATOM 32 CG ARG A 3 6.080 2.765 -4.625 1.00 62.51 C ATOM 33 CD ARG A 3 6.634 3.809 -5.581 1.00 54.43 C ATOM 34 NE ARG A 3 8.000 4.194 -5.240 1.00 4.51 N ATOM 35 CZ ARG A 3 8.815 4.832 -6.074 1.00 74.51 C ATOM 36 NH1 ARG A 3 8.401 5.154 -7.292 1.00 65.21 N ATOM 37 NH2 ARG A 3 10.045 5.148 -5.690 1.00 53.03 N ATOM 0 H ARG A 3 4.700 1.180 -2.520 1.00 34.30 H new ATOM 0 HA ARG A 3 7.341 2.380 -2.172 1.00 41.21 H new ATOM 0 HB2 ARG A 3 4.695 3.505 -3.173 1.00 12.11 H new ATOM 0 HB3 ARG A 3 6.229 4.351 -3.198 1.00 12.11 H new ATOM 0 HG2 ARG A 3 6.800 1.955 -4.513 1.00 62.51 H new ATOM 0 HG3 ARG A 3 5.173 2.330 -5.046 1.00 62.51 H new ATOM 0 HD2 ARG A 3 6.611 3.417 -6.598 1.00 54.43 H new ATOM 0 HD3 ARG A 3 5.994 4.691 -5.565 1.00 54.43 H new ATOM 0 HE ARG A 3 8.348 3.961 -4.310 1.00 4.51 H new ATOM 0 HH11 ARG A 3 7.456 4.912 -7.590 1.00 65.21 H new ATOM 0 HH12 ARG A 3 9.028 5.644 -7.931 1.00 65.21 H new ATOM 0 HH21 ARG A 3 10.366 4.901 -4.754 1.00 53.03 H new ATOM 0 HH22 ARG A 3 10.669 5.638 -6.331 1.00 53.03 H new ATOM 51 N ILE A 4 5.136 2.574 0.055 1.00 21.34 N ATOM 52 CA ILE A 4 4.764 3.137 1.347 1.00 3.12 C ATOM 53 C ILE A 4 5.585 2.518 2.474 1.00 50.24 C ATOM 54 O ILE A 4 5.785 3.134 3.520 1.00 30.12 O ATOM 55 CB ILE A 4 3.267 2.928 1.643 1.00 64.40 C ATOM 56 CG1 ILE A 4 2.413 3.677 0.619 1.00 40.24 C ATOM 57 CG2 ILE A 4 2.937 3.388 3.055 1.00 50.12 C ATOM 58 CD1 ILE A 4 2.589 5.179 0.668 1.00 21.20 C ATOM 0 H ILE A 4 4.717 1.666 -0.146 1.00 21.34 H new ATOM 0 HA ILE A 4 4.970 4.206 1.296 1.00 3.12 H new ATOM 0 HB ILE A 4 3.042 1.864 1.567 1.00 64.40 H new ATOM 0 HG12 ILE A 4 2.664 3.322 -0.381 1.00 40.24 H new ATOM 0 HG13 ILE A 4 1.363 3.437 0.788 1.00 40.24 H new ATOM 0 HG21 ILE A 4 1.876 3.234 3.249 1.00 50.12 H new ATOM 0 HG22 ILE A 4 3.524 2.813 3.771 1.00 50.12 H new ATOM 0 HG23 ILE A 4 3.175 4.447 3.158 1.00 50.12 H new ATOM 0 HD11 ILE A 4 1.953 5.645 -0.085 1.00 21.20 H new ATOM 0 HD12 ILE A 4 2.310 5.546 1.656 1.00 21.20 H new ATOM 0 HD13 ILE A 4 3.631 5.430 0.469 1.00 21.20 H new ATOM 70 N ALA A 5 6.059 1.297 2.251 1.00 45.04 N ATOM 71 CA ALA A 5 6.862 0.596 3.245 1.00 61.10 C ATOM 72 C ALA A 5 8.325 1.021 3.169 1.00 54.01 C ATOM 73 O ALA A 5 9.032 1.028 4.176 1.00 52.41 O ATOM 74 CB ALA A 5 6.737 -0.909 3.058 1.00 5.12 C ATOM 0 H ALA A 5 5.901 0.773 1.391 1.00 45.04 H new ATOM 0 HA ALA A 5 6.485 0.861 4.233 1.00 61.10 H new ATOM 0 HB1 ALA A 5 7.342 -1.420 3.807 1.00 5.12 H new ATOM 0 HB2 ALA A 5 5.694 -1.204 3.171 1.00 5.12 H new ATOM 0 HB3 ALA A 5 7.086 -1.182 2.062 1.00 5.12 H new ATOM 80 N ALA A 6 8.772 1.374 1.968 1.00 32.31 N ATOM 81 CA ALA A 6 10.150 1.801 1.761 1.00 11.23 C ATOM 82 C ALA A 6 10.492 2.997 2.643 1.00 12.24 C ATOM 83 O ALA A 6 11.657 3.231 2.963 1.00 4.42 O ATOM 84 CB ALA A 6 10.383 2.139 0.296 1.00 4.44 C ATOM 0 H ALA A 6 8.200 1.373 1.124 1.00 32.31 H new ATOM 0 HA ALA A 6 10.806 0.977 2.041 1.00 11.23 H new ATOM 0 HB1 ALA A 6 11.416 2.456 0.156 1.00 4.44 H new ATOM 0 HB2 ALA A 6 10.188 1.259 -0.316 1.00 4.44 H new ATOM 0 HB3 ALA A 6 9.712 2.945 -0.003 1.00 4.44 H new ATOM 90 N ARG A 7 9.469 3.751 3.033 1.00 50.13 N ATOM 91 CA ARG A 7 9.662 4.924 3.876 1.00 2.34 C ATOM 92 C ARG A 7 9.450 4.577 5.347 1.00 4.21 C ATOM 93 O ARG A 7 9.978 5.245 6.235 1.00 24.13 O ATOM 94 CB ARG A 7 8.702 6.041 3.462 1.00 62.25 C ATOM 95 CG ARG A 7 9.396 7.357 3.153 1.00 2.41 C ATOM 96 CD ARG A 7 8.404 8.508 3.085 1.00 72.42 C ATOM 97 NE ARG A 7 8.382 9.134 1.766 1.00 73.14 N ATOM 98 CZ ARG A 7 7.508 10.069 1.411 1.00 53.14 C ATOM 99 NH1 ARG A 7 6.590 10.484 2.272 1.00 14.52 N ATOM 100 NH2 ARG A 7 7.551 10.591 0.192 1.00 44.35 N ATOM 0 H ARG A 7 8.498 3.570 2.778 1.00 50.13 H new ATOM 0 HA ARG A 7 10.688 5.269 3.745 1.00 2.34 H new ATOM 0 HB2 ARG A 7 8.142 5.720 2.584 1.00 62.25 H new ATOM 0 HB3 ARG A 7 7.978 6.201 4.261 1.00 62.25 H new ATOM 0 HG2 ARG A 7 10.143 7.564 3.919 1.00 2.41 H new ATOM 0 HG3 ARG A 7 9.926 7.276 2.204 1.00 2.41 H new ATOM 0 HD2 ARG A 7 7.407 8.142 3.329 1.00 72.42 H new ATOM 0 HD3 ARG A 7 8.663 9.254 3.836 1.00 72.42 H new ATOM 0 HE ARG A 7 9.076 8.837 1.080 1.00 73.14 H new ATOM 0 HH11 ARG A 7 6.553 10.085 3.210 1.00 14.52 H new ATOM 0 HH12 ARG A 7 5.920 11.202 1.997 1.00 14.52 H new ATOM 0 HH21 ARG A 7 8.256 10.274 -0.474 1.00 44.35 H new ATOM 0 HH22 ARG A 7 6.879 11.309 -0.079 1.00 44.35 H new ATOM 114 N GLY A 8 8.673 3.527 5.596 1.00 2.53 N ATOM 115 CA GLY A 8 8.405 3.110 6.960 1.00 13.41 C ATOM 116 C GLY A 8 9.631 2.538 7.643 1.00 33.42 C ATOM 117 O GLY A 8 9.779 2.646 8.861 1.00 51.25 O ATOM 0 H GLY A 8 8.225 2.958 4.878 1.00 2.53 H new ATOM 0 HA2 GLY A 8 8.039 3.963 7.532 1.00 13.41 H new ATOM 0 HA3 GLY A 8 7.612 2.363 6.959 1.00 13.41 H new ATOM 121 N ARG A 9 10.511 1.925 6.859 1.00 61.43 N ATOM 122 CA ARG A 9 11.729 1.330 7.396 1.00 71.21 C ATOM 123 C ARG A 9 12.813 2.387 7.585 1.00 52.03 C ATOM 124 O ARG A 9 13.594 2.327 8.534 1.00 73.11 O ATOM 125 CB ARG A 9 12.235 0.225 6.467 1.00 43.14 C ATOM 126 CG ARG A 9 13.381 -0.584 7.051 1.00 65.33 C ATOM 127 CD ARG A 9 14.550 -0.676 6.081 1.00 13.45 C ATOM 128 NE ARG A 9 14.198 -1.408 4.868 1.00 61.20 N ATOM 129 CZ ARG A 9 14.138 -2.733 4.801 1.00 31.50 C ATOM 130 NH1 ARG A 9 14.404 -3.467 5.873 1.00 70.54 N ATOM 131 NH2 ARG A 9 13.810 -3.327 3.660 1.00 23.24 N ATOM 0 H ARG A 9 10.404 1.827 5.849 1.00 61.43 H new ATOM 0 HA ARG A 9 11.494 0.898 8.369 1.00 71.21 H new ATOM 0 HB2 ARG A 9 11.410 -0.447 6.232 1.00 43.14 H new ATOM 0 HB3 ARG A 9 12.559 0.672 5.527 1.00 43.14 H new ATOM 0 HG2 ARG A 9 13.714 -0.125 7.982 1.00 65.33 H new ATOM 0 HG3 ARG A 9 13.031 -1.587 7.297 1.00 65.33 H new ATOM 0 HD2 ARG A 9 14.881 0.328 5.815 1.00 13.45 H new ATOM 0 HD3 ARG A 9 15.390 -1.169 6.571 1.00 13.45 H new ATOM 0 HE ARG A 9 13.987 -0.873 4.026 1.00 61.20 H new ATOM 0 HH11 ARG A 9 14.655 -3.014 6.752 1.00 70.54 H new ATOM 0 HH12 ARG A 9 14.357 -4.484 5.819 1.00 70.54 H new ATOM 0 HH21 ARG A 9 13.604 -2.766 2.834 1.00 23.24 H new ATOM 0 HH22 ARG A 9 13.764 -4.345 3.610 1.00 23.24 H new ATOM 145 N ALA A 10 12.854 3.354 6.674 1.00 61.11 N ATOM 146 CA ALA A 10 13.841 4.425 6.741 1.00 74.11 C ATOM 147 C ALA A 10 13.791 5.134 8.090 1.00 75.10 C ATOM 148 O ALA A 10 14.812 5.599 8.596 1.00 62.41 O ATOM 149 CB ALA A 10 13.618 5.419 5.611 1.00 15.42 C ATOM 0 H ALA A 10 12.215 3.418 5.881 1.00 61.11 H new ATOM 0 HA ALA A 10 14.831 3.982 6.630 1.00 74.11 H new ATOM 0 HB1 ALA A 10 14.362 6.213 5.673 1.00 15.42 H new ATOM 0 HB2 ALA A 10 13.712 4.908 4.653 1.00 15.42 H new ATOM 0 HB3 ALA A 10 12.620 5.849 5.696 1.00 15.42 H new ATOM 155 N ARG A 11 12.596 5.214 8.667 1.00 21.12 N ATOM 156 CA ARG A 11 12.413 5.868 9.957 1.00 2.31 C ATOM 157 C ARG A 11 13.393 5.319 10.989 1.00 21.45 C ATOM 158 O ARG A 11 14.335 6.002 11.393 1.00 13.43 O ATOM 159 CB ARG A 11 10.977 5.679 10.450 1.00 43.32 C ATOM 160 CG ARG A 11 10.617 6.565 11.631 1.00 1.40 C ATOM 161 CD ARG A 11 9.185 6.333 12.086 1.00 73.25 C ATOM 162 NE ARG A 11 8.241 7.202 11.388 1.00 61.14 N ATOM 163 CZ ARG A 11 8.135 8.506 11.617 1.00 33.15 C ATOM 164 NH1 ARG A 11 8.910 9.088 12.522 1.00 52.43 N ATOM 165 NH2 ARG A 11 7.252 9.230 10.942 1.00 52.04 N ATOM 0 H ARG A 11 11.741 4.834 8.261 1.00 21.12 H new ATOM 0 HA ARG A 11 12.608 6.933 9.827 1.00 2.31 H new ATOM 0 HB2 ARG A 11 10.290 5.885 9.629 1.00 43.32 H new ATOM 0 HB3 ARG A 11 10.833 4.636 10.732 1.00 43.32 H new ATOM 0 HG2 ARG A 11 11.299 6.366 12.458 1.00 1.40 H new ATOM 0 HG3 ARG A 11 10.747 7.611 11.355 1.00 1.40 H new ATOM 0 HD2 ARG A 11 8.914 5.291 11.914 1.00 73.25 H new ATOM 0 HD3 ARG A 11 9.113 6.508 13.159 1.00 73.25 H new ATOM 0 HE ARG A 11 7.630 6.785 10.686 1.00 61.14 H new ATOM 0 HH11 ARG A 11 9.589 8.534 13.044 1.00 52.43 H new ATOM 0 HH12 ARG A 11 8.827 10.090 12.696 1.00 52.43 H new ATOM 0 HH21 ARG A 11 6.653 8.785 10.246 1.00 52.04 H new ATOM 0 HH22 ARG A 11 7.172 10.231 11.119 1.00 52.04 H new ATOM 179 N LEU A 12 13.165 4.080 11.413 1.00 2.30 N ATOM 180 CA LEU A 12 14.027 3.438 12.399 1.00 4.10 C ATOM 181 C LEU A 12 15.474 3.405 11.918 1.00 64.55 C ATOM 182 O LEU A 12 16.407 3.460 12.719 1.00 21.42 O ATOM 183 CB LEU A 12 13.539 2.016 12.683 1.00 4.53 C ATOM 184 CG LEU A 12 12.066 1.877 13.069 1.00 63.02 C ATOM 185 CD1 LEU A 12 11.622 0.426 12.965 1.00 45.11 C ATOM 186 CD2 LEU A 12 11.830 2.410 14.475 1.00 62.54 C ATOM 0 H LEU A 12 12.391 3.501 11.089 1.00 2.30 H new ATOM 0 HA LEU A 12 13.983 4.021 13.319 1.00 4.10 H new ATOM 0 HB2 LEU A 12 13.721 1.407 11.797 1.00 4.53 H new ATOM 0 HB3 LEU A 12 14.146 1.599 13.487 1.00 4.53 H new ATOM 0 HG LEU A 12 11.470 2.469 12.374 1.00 63.02 H new ATOM 0 HD11 LEU A 12 10.571 0.346 13.243 1.00 45.11 H new ATOM 0 HD12 LEU A 12 11.753 0.078 11.940 1.00 45.11 H new ATOM 0 HD13 LEU A 12 12.223 -0.187 13.636 1.00 45.11 H new ATOM 0 HD21 LEU A 12 10.776 2.303 14.733 1.00 62.54 H new ATOM 0 HD22 LEU A 12 12.436 1.846 15.184 1.00 62.54 H new ATOM 0 HD23 LEU A 12 12.108 3.463 14.516 1.00 62.54 H new ATOM 198 N ARG A 13 15.653 3.316 10.604 1.00 64.04 N ATOM 199 CA ARG A 13 16.987 3.276 10.015 1.00 13.33 C ATOM 200 C ARG A 13 17.789 4.515 10.402 1.00 12.42 C ATOM 201 O ARG A 13 18.889 4.411 10.944 1.00 71.25 O ATOM 202 CB ARG A 13 16.892 3.172 8.492 1.00 63.00 C ATOM 203 CG ARG A 13 18.064 2.440 7.858 1.00 50.42 C ATOM 204 CD ARG A 13 19.374 3.176 8.094 1.00 53.22 C ATOM 205 NE ARG A 13 20.305 3.006 6.982 1.00 23.31 N ATOM 206 CZ ARG A 13 21.003 1.895 6.772 1.00 41.23 C ATOM 207 NH1 ARG A 13 20.875 0.862 7.593 1.00 51.21 N ATOM 208 NH2 ARG A 13 21.831 1.816 5.738 1.00 40.23 N ATOM 0 H ARG A 13 14.891 3.270 9.927 1.00 64.04 H new ATOM 0 HA ARG A 13 17.501 2.396 10.401 1.00 13.33 H new ATOM 0 HB2 ARG A 13 15.968 2.658 8.228 1.00 63.00 H new ATOM 0 HB3 ARG A 13 16.830 4.175 8.071 1.00 63.00 H new ATOM 0 HG2 ARG A 13 18.132 1.433 8.270 1.00 50.42 H new ATOM 0 HG3 ARG A 13 17.892 2.335 6.787 1.00 50.42 H new ATOM 0 HD2 ARG A 13 19.172 4.237 8.239 1.00 53.22 H new ATOM 0 HD3 ARG A 13 19.835 2.811 9.012 1.00 53.22 H new ATOM 0 HE ARG A 13 20.426 3.782 6.331 1.00 23.31 H new ATOM 0 HH11 ARG A 13 20.239 0.919 8.389 1.00 51.21 H new ATOM 0 HH12 ARG A 13 21.412 0.011 7.429 1.00 51.21 H new ATOM 0 HH21 ARG A 13 21.932 2.608 5.104 1.00 40.23 H new ATOM 0 HH22 ARG A 13 22.366 0.963 5.577 1.00 40.23 H new ATOM 222 N ALA A 14 17.230 5.688 10.120 1.00 72.31 N ATOM 223 CA ALA A 14 17.892 6.946 10.439 1.00 11.44 C ATOM 224 C ALA A 14 17.970 7.158 11.948 1.00 52.25 C ATOM 225 O ALA A 14 18.976 7.642 12.465 1.00 25.15 O ATOM 226 CB ALA A 14 17.165 8.108 9.778 1.00 33.13 C ATOM 0 H ALA A 14 16.320 5.792 9.671 1.00 72.31 H new ATOM 0 HA ALA A 14 18.910 6.901 10.051 1.00 11.44 H new ATOM 0 HB1 ALA A 14 17.671 9.041 10.025 1.00 33.13 H new ATOM 0 HB2 ALA A 14 17.166 7.970 8.697 1.00 33.13 H new ATOM 0 HB3 ALA A 14 16.137 8.146 10.138 1.00 33.13 H new