USER MOD reduce.3.24.130724 H: found=0, std=0, add=96, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 97 hydrogens (0 hets) ATOM 59 N VAL A 123 10.651 3.118 -1.242 1.00 0.12 N ATOM 60 CA VAL A 123 9.888 2.131 -1.997 1.00 0.08 C ATOM 61 C VAL A 123 9.419 0.991 -1.095 1.00 0.05 C ATOM 62 O VAL A 123 8.339 0.450 -1.289 1.00 0.05 O ATOM 63 CB VAL A 123 10.701 1.557 -3.181 1.00 0.13 C ATOM 64 CG1 VAL A 123 11.965 0.865 -2.699 1.00 0.16 C ATOM 65 CG2 VAL A 123 9.847 0.598 -3.990 1.00 0.14 C ATOM 0 HA VAL A 123 9.017 2.648 -2.399 1.00 0.08 H new ATOM 0 HB VAL A 123 10.999 2.389 -3.819 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.514 0.473 -3.555 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.590 1.580 -2.164 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.699 0.045 -2.032 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.432 0.202 -4.820 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.519 -0.223 -3.353 1.00 0.14 H new ATOM 0 HG23 VAL A 123 8.976 1.126 -4.379 1.00 0.14 H new ATOM 75 N GLU A 124 10.231 0.652 -0.106 1.00 0.07 N ATOM 76 CA GLU A 124 9.899 -0.399 0.847 1.00 0.08 C ATOM 77 C GLU A 124 8.552 -0.137 1.516 1.00 0.05 C ATOM 78 O GLU A 124 7.743 -1.046 1.673 1.00 0.09 O ATOM 79 CB GLU A 124 10.988 -0.516 1.912 1.00 0.14 C ATOM 80 CG GLU A 124 10.700 -1.584 2.955 1.00 1.00 C ATOM 81 CD GLU A 124 11.765 -1.658 4.023 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.767 -2.378 3.816 1.00 1.43 O ATOM 83 OE2 GLU A 124 11.608 -1.002 5.073 1.00 2.28 O ATOM 0 H GLU A 124 11.135 1.094 0.060 1.00 0.07 H new ATOM 0 HA GLU A 124 9.832 -1.336 0.294 1.00 0.08 H new ATOM 0 HB2 GLU A 124 11.938 -0.739 1.427 1.00 0.14 H new ATOM 0 HB3 GLU A 124 11.103 0.446 2.410 1.00 0.14 H new ATOM 0 HG2 GLU A 124 9.737 -1.379 3.422 1.00 1.00 H new ATOM 0 HG3 GLU A 124 10.617 -2.553 2.463 1.00 1.00 H new ATOM 90 N LEU A 125 8.305 1.102 1.900 1.00 0.03 N ATOM 91 CA LEU A 125 7.055 1.434 2.567 1.00 0.05 C ATOM 92 C LEU A 125 5.971 1.765 1.541 1.00 0.05 C ATOM 93 O LEU A 125 4.786 1.611 1.808 1.00 0.09 O ATOM 94 CB LEU A 125 7.267 2.589 3.553 1.00 0.07 C ATOM 95 CG LEU A 125 7.552 3.954 2.925 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.257 4.725 2.717 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.521 4.750 3.787 1.00 0.09 C ATOM 0 H LEU A 125 8.942 1.887 1.765 1.00 0.03 H new ATOM 0 HA LEU A 125 6.718 0.567 3.136 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.379 2.676 4.179 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.097 2.332 4.212 1.00 0.07 H new ATOM 0 HG LEU A 125 8.016 3.795 1.952 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.478 5.694 2.269 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.600 4.161 2.055 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.764 4.873 3.678 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.711 5.718 3.323 1.00 0.09 H new ATOM 0 HD22 LEU A 125 8.089 4.901 4.776 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.459 4.203 3.881 1.00 0.09 H new ATOM 109 N GLU A 126 6.384 2.209 0.361 1.00 0.04 N ATOM 110 CA GLU A 126 5.441 2.535 -0.705 1.00 0.05 C ATOM 111 C GLU A 126 4.844 1.272 -1.289 1.00 0.04 C ATOM 112 O GLU A 126 3.645 1.195 -1.559 1.00 0.05 O ATOM 113 CB GLU A 126 6.147 3.309 -1.804 1.00 0.06 C ATOM 114 CG GLU A 126 6.691 4.643 -1.350 1.00 0.13 C ATOM 115 CD GLU A 126 5.654 5.743 -1.386 1.00 0.47 C ATOM 116 OE1 GLU A 126 4.955 5.871 -2.412 1.00 0.81 O ATOM 117 OE2 GLU A 126 5.549 6.505 -0.406 1.00 0.74 O ATOM 0 H GLU A 126 7.364 2.352 0.116 1.00 0.04 H new ATOM 0 HA GLU A 126 4.643 3.145 -0.282 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.967 2.705 -2.193 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.451 3.471 -2.627 1.00 0.06 H new ATOM 0 HG2 GLU A 126 7.076 4.546 -0.335 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.532 4.922 -1.985 1.00 0.13 H new ATOM 124 N ARG A 127 5.705 0.287 -1.481 1.00 0.03 N ATOM 125 CA ARG A 127 5.302 -0.997 -2.030 1.00 0.04 C ATOM 126 C ARG A 127 4.213 -1.623 -1.172 1.00 0.03 C ATOM 127 O ARG A 127 3.268 -2.214 -1.694 1.00 0.05 O ATOM 128 CB ARG A 127 6.504 -1.946 -2.135 1.00 0.04 C ATOM 129 CG ARG A 127 7.040 -2.421 -0.795 1.00 0.06 C ATOM 130 CD ARG A 127 8.001 -3.586 -0.956 1.00 0.12 C ATOM 131 NE ARG A 127 7.325 -4.781 -1.456 1.00 1.21 N ATOM 132 CZ ARG A 127 7.953 -5.877 -1.875 1.00 1.61 C ATOM 133 NH1 ARG A 127 9.279 -5.931 -1.872 1.00 1.38 N ATOM 134 NH2 ARG A 127 7.253 -6.925 -2.294 1.00 2.65 N ATOM 0 H ARG A 127 6.699 0.354 -1.262 1.00 0.03 H new ATOM 0 HA ARG A 127 4.907 -0.829 -3.032 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.216 -2.815 -2.727 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.305 -1.442 -2.676 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.548 -1.597 -0.293 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.209 -2.720 -0.156 1.00 0.06 H new ATOM 0 HD2 ARG A 127 8.800 -3.306 -1.643 1.00 0.12 H new ATOM 0 HD3 ARG A 127 8.468 -3.807 0.004 1.00 0.12 H new ATOM 0 HE ARG A 127 6.305 -4.775 -1.486 1.00 1.21 H new ATOM 0 HH11 ARG A 127 9.821 -5.130 -1.548 1.00 1.38 H new ATOM 0 HH12 ARG A 127 9.756 -6.773 -2.194 1.00 1.38 H new ATOM 0 HH21 ARG A 127 6.234 -6.890 -2.295 1.00 2.65 H new ATOM 0 HH22 ARG A 127 7.735 -7.765 -2.615 1.00 2.65 H new ATOM 148 N GLU A 128 4.334 -1.472 0.142 1.00 0.03 N ATOM 149 CA GLU A 128 3.350 -2.024 1.048 1.00 0.03 C ATOM 150 C GLU A 128 2.105 -1.152 1.082 1.00 0.04 C ATOM 151 O GLU A 128 0.998 -1.675 1.130 1.00 0.07 O ATOM 152 CB GLU A 128 3.931 -2.231 2.446 1.00 0.07 C ATOM 153 CG GLU A 128 4.487 -0.991 3.103 1.00 0.09 C ATOM 154 CD GLU A 128 5.042 -1.287 4.478 1.00 0.24 C ATOM 155 OE1 GLU A 128 6.198 -1.741 4.573 1.00 0.39 O ATOM 156 OE2 GLU A 128 4.316 -1.093 5.476 1.00 0.42 O ATOM 0 H GLU A 128 5.100 -0.975 0.595 1.00 0.03 H new ATOM 0 HA GLU A 128 3.061 -3.006 0.675 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.153 -2.644 3.088 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.724 -2.977 2.385 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.273 -0.569 2.477 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.703 -0.238 3.182 1.00 0.09 H new ATOM 163 N LEU A 129 2.283 0.173 1.033 1.00 0.03 N ATOM 164 CA LEU A 129 1.147 1.088 0.913 1.00 0.05 C ATOM 165 C LEU A 129 0.252 0.657 -0.239 1.00 0.06 C ATOM 166 O LEU A 129 -0.953 0.466 -0.069 1.00 0.09 O ATOM 167 CB LEU A 129 1.620 2.524 0.671 1.00 0.06 C ATOM 168 CG LEU A 129 2.371 3.184 1.825 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.916 4.530 1.386 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.463 3.343 3.036 1.00 0.14 C ATOM 0 H LEU A 129 3.194 0.630 1.074 1.00 0.03 H new ATOM 0 HA LEU A 129 0.589 1.055 1.849 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.266 2.530 -0.207 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.751 3.136 0.432 1.00 0.06 H new ATOM 0 HG LEU A 129 3.206 2.544 2.111 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.450 4.994 2.215 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.598 4.390 0.547 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.092 5.174 1.080 1.00 0.11 H new ATOM 0 HD21 LEU A 129 2.017 3.815 3.847 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.608 3.965 2.771 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.112 2.363 3.359 1.00 0.14 H new ATOM 182 N ALA A 130 0.865 0.471 -1.401 1.00 0.07 N ATOM 183 CA ALA A 130 0.153 0.055 -2.601 1.00 0.11 C ATOM 184 C ALA A 130 -0.464 -1.331 -2.433 1.00 0.14 C ATOM 185 O ALA A 130 -1.453 -1.662 -3.082 1.00 0.19 O ATOM 186 CB ALA A 130 1.100 0.066 -3.789 1.00 0.13 C ATOM 0 H ALA A 130 1.867 0.604 -1.537 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.659 0.761 -2.776 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.563 -0.246 -4.685 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.492 1.073 -3.933 1.00 0.13 H new ATOM 0 HB3 ALA A 130 1.925 -0.621 -3.603 1.00 0.13 H new ATOM 192 N GLU A 131 0.114 -2.127 -1.545 1.00 0.14 N ATOM 193 CA GLU A 131 -0.339 -3.482 -1.317 1.00 0.18 C ATOM 194 C GLU A 131 -1.643 -3.468 -0.516 1.00 0.22 C ATOM 195 O GLU A 131 -2.590 -4.173 -0.857 1.00 0.26 O ATOM 196 CB GLU A 131 0.781 -4.264 -0.611 1.00 0.17 C ATOM 197 CG GLU A 131 0.350 -5.018 0.629 1.00 0.23 C ATOM 198 CD GLU A 131 -0.171 -6.409 0.327 1.00 0.35 C ATOM 199 OE1 GLU A 131 0.616 -7.247 -0.166 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.358 -6.681 0.599 1.00 0.56 O ATOM 0 H GLU A 131 0.907 -1.849 -0.967 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.556 -3.982 -2.261 1.00 0.18 H new ATOM 0 HB2 GLU A 131 1.210 -4.973 -1.319 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.573 -3.567 -0.337 1.00 0.17 H new ATOM 0 HG2 GLU A 131 1.195 -5.093 1.313 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.426 -4.449 1.142 1.00 0.23 H new ATOM 207 N LEU A 132 -1.704 -2.634 0.521 1.00 0.21 N ATOM 208 CA LEU A 132 -2.926 -2.489 1.313 1.00 0.25 C ATOM 209 C LEU A 132 -4.010 -1.848 0.467 1.00 0.29 C ATOM 210 O LEU A 132 -5.180 -2.214 0.544 1.00 0.35 O ATOM 211 CB LEU A 132 -2.684 -1.623 2.541 1.00 0.25 C ATOM 212 CG LEU A 132 -1.470 -2.004 3.369 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.529 -0.826 3.433 1.00 0.19 C ATOM 214 CD2 LEU A 132 -1.881 -2.448 4.763 1.00 0.32 C ATOM 0 H LEU A 132 -0.927 -2.051 0.832 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.237 -3.482 1.638 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.575 -0.587 2.220 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.567 -1.668 3.178 1.00 0.25 H new ATOM 0 HG LEU A 132 -0.962 -2.845 2.898 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.346 -1.091 4.026 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.216 -0.556 2.425 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.037 0.021 3.894 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -0.993 -2.716 5.336 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.405 -1.634 5.264 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -2.540 -3.313 4.690 1.00 0.32 H new ATOM 226 N ARG A 133 -3.597 -0.877 -0.335 1.00 0.28 N ATOM 227 CA ARG A 133 -4.478 -0.206 -1.269 1.00 0.34 C ATOM 228 C ARG A 133 -5.039 -1.188 -2.291 1.00 0.40 C ATOM 229 O ARG A 133 -6.159 -1.030 -2.776 1.00 0.47 O ATOM 230 CB ARG A 133 -3.706 0.909 -1.961 1.00 0.31 C ATOM 231 CG ARG A 133 -3.294 2.022 -1.020 1.00 0.29 C ATOM 232 CD ARG A 133 -2.624 3.165 -1.764 1.00 1.03 C ATOM 233 NE ARG A 133 -2.106 4.183 -0.852 1.00 1.74 N ATOM 234 CZ ARG A 133 -1.077 4.980 -1.131 1.00 2.61 C ATOM 235 NH1 ARG A 133 -0.470 4.901 -2.308 1.00 3.04 N ATOM 236 NH2 ARG A 133 -0.664 5.868 -0.234 1.00 3.48 N ATOM 0 H ARG A 133 -2.637 -0.534 -0.353 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.323 0.218 -0.726 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.816 0.489 -2.429 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.320 1.326 -2.760 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -4.171 2.396 -0.492 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.612 1.628 -0.267 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -1.808 2.773 -2.371 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -3.340 3.621 -2.448 1.00 1.03 H new ATOM 0 HE ARG A 133 -2.561 4.289 0.055 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -0.791 4.228 -3.003 1.00 3.04 H new ATOM 0 HH12 ARG A 133 0.318 5.514 -2.518 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -1.135 5.939 0.668 1.00 3.48 H new ATOM 0 HH22 ARG A 133 0.124 6.479 -0.447 1.00 3.48 H new