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 10.650 3.108 -1.028 1.00 0.12 N ATOM 60 CA VAL A 123 9.934 2.158 -1.866 1.00 0.08 C ATOM 61 C VAL A 123 9.457 0.969 -1.034 1.00 0.05 C ATOM 62 O VAL A 123 8.389 0.421 -1.277 1.00 0.05 O ATOM 63 CB VAL A 123 10.789 1.668 -3.059 1.00 0.13 C ATOM 64 CG1 VAL A 123 12.016 0.896 -2.601 1.00 0.16 C ATOM 65 CG2 VAL A 123 9.943 0.819 -3.987 1.00 0.14 C ATOM 0 HA VAL A 123 9.070 2.680 -2.278 1.00 0.08 H new ATOM 0 HB VAL A 123 11.144 2.547 -3.597 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.587 0.571 -3.471 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.638 1.538 -1.978 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.704 0.024 -2.026 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.552 0.478 -4.824 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.559 -0.044 -3.442 1.00 0.14 H new ATOM 0 HG23 VAL A 123 9.109 1.411 -4.363 1.00 0.14 H new ATOM 75 N GLU A 124 10.251 0.604 -0.038 1.00 0.07 N ATOM 76 CA GLU A 124 9.901 -0.458 0.899 1.00 0.08 C ATOM 77 C GLU A 124 8.561 -0.178 1.582 1.00 0.05 C ATOM 78 O GLU A 124 7.789 -1.096 1.844 1.00 0.09 O ATOM 79 CB GLU A 124 10.993 -0.609 1.960 1.00 0.14 C ATOM 80 CG GLU A 124 12.345 -1.018 1.398 1.00 1.00 C ATOM 81 CD GLU A 124 12.321 -2.370 0.715 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.009 -2.428 -0.493 1.00 2.28 O ATOM 83 OE2 GLU A 124 12.655 -3.378 1.376 1.00 1.43 O ATOM 0 H GLU A 124 11.157 1.035 0.145 1.00 0.07 H new ATOM 0 HA GLU A 124 9.812 -1.384 0.331 1.00 0.08 H new ATOM 0 HB2 GLU A 124 11.102 0.336 2.492 1.00 0.14 H new ATOM 0 HB3 GLU A 124 10.675 -1.352 2.692 1.00 0.14 H new ATOM 0 HG2 GLU A 124 12.679 -0.264 0.685 1.00 1.00 H new ATOM 0 HG3 GLU A 124 13.076 -1.039 2.206 1.00 1.00 H new ATOM 90 N LEU A 125 8.288 1.087 1.874 1.00 0.03 N ATOM 91 CA LEU A 125 7.033 1.446 2.521 1.00 0.05 C ATOM 92 C LEU A 125 5.953 1.766 1.485 1.00 0.05 C ATOM 93 O LEU A 125 4.772 1.572 1.736 1.00 0.09 O ATOM 94 CB LEU A 125 7.235 2.615 3.501 1.00 0.07 C ATOM 95 CG LEU A 125 7.504 3.987 2.880 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.202 4.727 2.623 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.414 4.805 3.778 1.00 0.09 C ATOM 0 H LEU A 125 8.909 1.872 1.677 1.00 0.03 H new ATOM 0 HA LEU A 125 6.691 0.586 3.097 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.347 2.692 4.128 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.069 2.369 4.159 1.00 0.07 H new ATOM 0 HG LEU A 125 8.004 3.838 1.923 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.418 5.700 2.181 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.583 4.147 1.939 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.670 4.866 3.564 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.596 5.778 3.322 1.00 0.09 H new ATOM 0 HD22 LEU A 125 7.939 4.942 4.749 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.362 4.283 3.908 1.00 0.09 H new ATOM 109 N GLU A 126 6.358 2.247 0.320 1.00 0.04 N ATOM 110 CA GLU A 126 5.407 2.563 -0.743 1.00 0.05 C ATOM 111 C GLU A 126 4.834 1.288 -1.333 1.00 0.04 C ATOM 112 O GLU A 126 3.638 1.195 -1.615 1.00 0.05 O ATOM 113 CB GLU A 126 6.096 3.372 -1.830 1.00 0.06 C ATOM 114 CG GLU A 126 6.540 4.737 -1.358 1.00 0.13 C ATOM 115 CD GLU A 126 5.487 5.810 -1.554 1.00 0.47 C ATOM 116 OE1 GLU A 126 4.528 5.870 -0.760 1.00 0.74 O ATOM 117 OE2 GLU A 126 5.615 6.606 -2.509 1.00 0.81 O ATOM 0 H GLU A 126 7.334 2.428 0.084 1.00 0.04 H new ATOM 0 HA GLU A 126 4.592 3.151 -0.321 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.963 2.819 -2.192 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.417 3.489 -2.674 1.00 0.06 H new ATOM 0 HG2 GLU A 126 6.800 4.682 -0.301 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.445 5.023 -1.894 1.00 0.13 H new ATOM 124 N ARG A 127 5.706 0.309 -1.502 1.00 0.03 N ATOM 125 CA ARG A 127 5.322 -0.997 -2.027 1.00 0.04 C ATOM 126 C ARG A 127 4.224 -1.628 -1.170 1.00 0.03 C ATOM 127 O ARG A 127 3.286 -2.229 -1.695 1.00 0.05 O ATOM 128 CB ARG A 127 6.536 -1.935 -2.086 1.00 0.04 C ATOM 129 CG ARG A 127 7.042 -2.357 -0.719 1.00 0.06 C ATOM 130 CD ARG A 127 8.169 -3.367 -0.811 1.00 0.12 C ATOM 131 NE ARG A 127 8.615 -3.792 0.515 1.00 1.21 N ATOM 132 CZ ARG A 127 9.418 -4.830 0.735 1.00 1.61 C ATOM 133 NH1 ARG A 127 9.877 -5.549 -0.281 1.00 1.38 N ATOM 134 NH2 ARG A 127 9.758 -5.153 1.975 1.00 2.65 N ATOM 0 H ARG A 127 6.698 0.393 -1.281 1.00 0.03 H new ATOM 0 HA ARG A 127 4.938 -0.850 -3.036 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.270 -2.825 -2.657 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.343 -1.439 -2.626 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.388 -1.478 -0.175 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.220 -2.784 -0.145 1.00 0.06 H new ATOM 0 HD2 ARG A 127 7.836 -4.235 -1.380 1.00 0.12 H new ATOM 0 HD3 ARG A 127 9.006 -2.931 -1.356 1.00 0.12 H new ATOM 0 HE ARG A 127 8.290 -3.259 1.322 1.00 1.21 H new ATOM 0 HH11 ARG A 127 9.615 -5.307 -1.237 1.00 1.38 H new ATOM 0 HH12 ARG A 127 10.492 -6.344 -0.107 1.00 1.38 H new ATOM 0 HH21 ARG A 127 9.404 -4.606 2.760 1.00 2.65 H new ATOM 0 HH22 ARG A 127 10.373 -5.949 2.144 1.00 2.65 H new ATOM 148 N GLU A 128 4.340 -1.483 0.149 1.00 0.03 N ATOM 149 CA GLU A 128 3.354 -2.042 1.056 1.00 0.03 C ATOM 150 C GLU A 128 2.100 -1.184 1.070 1.00 0.04 C ATOM 151 O GLU A 128 0.995 -1.717 1.051 1.00 0.07 O ATOM 152 CB GLU A 128 3.928 -2.206 2.464 1.00 0.07 C ATOM 153 CG GLU A 128 4.494 -0.937 3.052 1.00 0.09 C ATOM 154 CD GLU A 128 5.051 -1.133 4.443 1.00 0.24 C ATOM 155 OE1 GLU A 128 6.215 -1.566 4.564 1.00 0.39 O ATOM 156 OE2 GLU A 128 4.330 -0.859 5.422 1.00 0.42 O ATOM 0 H GLU A 128 5.104 -0.985 0.606 1.00 0.03 H new ATOM 0 HA GLU A 128 3.084 -3.035 0.696 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.144 -2.580 3.123 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.712 -2.963 2.439 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.282 -0.560 2.400 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.714 -0.176 3.082 1.00 0.09 H new ATOM 163 N LEU A 129 2.269 0.141 1.074 1.00 0.03 N ATOM 164 CA LEU A 129 1.135 1.055 0.968 1.00 0.05 C ATOM 165 C LEU A 129 0.270 0.672 -0.225 1.00 0.06 C ATOM 166 O LEU A 129 -0.935 0.462 -0.097 1.00 0.09 O ATOM 167 CB LEU A 129 1.615 2.496 0.799 1.00 0.06 C ATOM 168 CG LEU A 129 2.354 3.100 1.995 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.922 4.455 1.625 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.430 3.218 3.197 1.00 0.14 C ATOM 0 H LEU A 129 3.177 0.600 1.149 1.00 0.03 H new ATOM 0 HA LEU A 129 0.551 0.982 1.886 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.272 2.540 -0.069 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.751 3.122 0.577 1.00 0.06 H new ATOM 0 HG LEU A 129 3.176 2.437 2.265 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.446 4.876 2.483 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.618 4.343 0.794 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.111 5.122 1.332 1.00 0.11 H new ATOM 0 HD21 LEU A 129 1.977 3.650 4.035 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.586 3.860 2.945 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.064 2.229 3.473 1.00 0.14 H new ATOM 182 N ALA A 130 0.917 0.548 -1.376 1.00 0.07 N ATOM 183 CA ALA A 130 0.246 0.186 -2.616 1.00 0.11 C ATOM 184 C ALA A 130 -0.370 -1.207 -2.538 1.00 0.14 C ATOM 185 O ALA A 130 -1.325 -1.505 -3.248 1.00 0.19 O ATOM 186 CB ALA A 130 1.224 0.256 -3.775 1.00 0.13 C ATOM 0 H ALA A 130 1.921 0.696 -1.476 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.562 0.899 -2.777 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.714 -0.016 -4.699 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.614 1.270 -3.861 1.00 0.13 H new ATOM 0 HB3 ALA A 130 2.048 -0.436 -3.598 1.00 0.13 H new ATOM 192 N GLU A 131 0.174 -2.047 -1.667 1.00 0.14 N ATOM 193 CA GLU A 131 -0.297 -3.412 -1.505 1.00 0.18 C ATOM 194 C GLU A 131 -1.638 -3.418 -0.772 1.00 0.22 C ATOM 195 O GLU A 131 -2.563 -4.135 -1.153 1.00 0.26 O ATOM 196 CB GLU A 131 0.780 -4.221 -0.759 1.00 0.17 C ATOM 197 CG GLU A 131 0.311 -4.924 0.504 1.00 0.23 C ATOM 198 CD GLU A 131 -0.210 -6.325 0.249 1.00 0.35 C ATOM 199 OE1 GLU A 131 0.618 -7.246 0.097 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.443 -6.514 0.215 1.00 0.56 O ATOM 0 H GLU A 131 0.952 -1.800 -1.055 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.463 -3.879 -2.476 1.00 0.18 H new ATOM 0 HB2 GLU A 131 1.186 -4.968 -1.441 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.598 -3.550 -0.498 1.00 0.17 H new ATOM 0 HG2 GLU A 131 1.138 -4.974 1.213 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.475 -4.331 0.972 1.00 0.23 H new ATOM 207 N LEU A 132 -1.744 -2.595 0.264 1.00 0.21 N ATOM 208 CA LEU A 132 -2.995 -2.459 1.004 1.00 0.25 C ATOM 209 C LEU A 132 -4.032 -1.764 0.138 1.00 0.29 C ATOM 210 O LEU A 132 -5.205 -2.128 0.129 1.00 0.35 O ATOM 211 CB LEU A 132 -2.786 -1.658 2.282 1.00 0.25 C ATOM 212 CG LEU A 132 -1.622 -2.119 3.144 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.665 -0.969 3.342 1.00 0.19 C ATOM 214 CD2 LEU A 132 -2.116 -2.648 4.478 1.00 0.32 C ATOM 0 H LEU A 132 -0.982 -2.013 0.611 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.344 -3.457 1.270 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.631 -0.612 2.017 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.699 -1.704 2.876 1.00 0.25 H new ATOM 0 HG LEU A 132 -1.102 -2.934 2.640 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.172 -1.294 3.960 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.293 -0.635 2.374 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.182 -0.146 3.836 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -1.266 -2.972 5.078 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.653 -1.860 5.006 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -2.784 -3.492 4.310 1.00 0.32 H new ATOM 226 N ARG A 133 -3.574 -0.745 -0.573 1.00 0.28 N ATOM 227 CA ARG A 133 -4.381 -0.024 -1.539 1.00 0.34 C ATOM 228 C ARG A 133 -4.859 -0.941 -2.659 1.00 0.40 C ATOM 229 O ARG A 133 -5.910 -0.721 -3.260 1.00 0.47 O ATOM 230 CB ARG A 133 -3.536 1.112 -2.097 1.00 0.31 C ATOM 231 CG ARG A 133 -3.221 2.164 -1.055 1.00 0.29 C ATOM 232 CD ARG A 133 -2.260 3.224 -1.574 1.00 1.03 C ATOM 233 NE ARG A 133 -2.731 3.873 -2.793 1.00 1.74 N ATOM 234 CZ ARG A 133 -2.016 4.763 -3.480 1.00 2.61 C ATOM 235 NH1 ARG A 133 -0.823 5.145 -3.040 1.00 3.04 N ATOM 236 NH2 ARG A 133 -2.503 5.286 -4.596 1.00 3.48 N ATOM 0 H ARG A 133 -2.620 -0.393 -0.493 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.273 0.370 -1.052 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.605 0.707 -2.494 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.062 1.577 -2.931 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -4.146 2.642 -0.734 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.789 1.684 -0.177 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -2.109 3.979 -0.802 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -1.290 2.765 -1.765 1.00 1.03 H new ATOM 0 HE ARG A 133 -3.660 3.632 -3.139 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -0.451 4.757 -2.173 1.00 3.04 H new ATOM 0 HH12 ARG A 133 -0.279 5.827 -3.569 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -3.426 5.007 -4.930 1.00 3.48 H new ATOM 0 HH22 ARG A 133 -1.955 5.967 -5.121 1.00 3.48 H new