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 10.584 3.244 -1.106 1.00 0.12 N ATOM 60 CA VAL A 123 9.907 2.257 -1.941 1.00 0.08 C ATOM 61 C VAL A 123 9.448 1.065 -1.100 1.00 0.05 C ATOM 62 O VAL A 123 8.391 0.489 -1.340 1.00 0.05 O ATOM 63 CB VAL A 123 10.806 1.765 -3.099 1.00 0.13 C ATOM 64 CG1 VAL A 123 12.064 1.079 -2.582 1.00 0.16 C ATOM 65 CG2 VAL A 123 10.022 0.835 -4.005 1.00 0.14 C ATOM 0 HA VAL A 123 9.037 2.749 -2.377 1.00 0.08 H new ATOM 0 HB VAL A 123 11.124 2.636 -3.672 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.670 0.747 -3.425 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.638 1.780 -1.976 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.785 0.218 -1.974 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.663 0.493 -4.818 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.674 -0.024 -3.431 1.00 0.14 H new ATOM 0 HG23 VAL A 123 9.165 1.367 -4.418 1.00 0.14 H new ATOM 75 N GLU A 124 10.245 0.737 -0.097 1.00 0.07 N ATOM 76 CA GLU A 124 9.953 -0.346 0.830 1.00 0.08 C ATOM 77 C GLU A 124 8.620 -0.125 1.551 1.00 0.05 C ATOM 78 O GLU A 124 7.885 -1.075 1.812 1.00 0.09 O ATOM 79 CB GLU A 124 11.095 -0.454 1.840 1.00 0.14 C ATOM 80 CG GLU A 124 10.936 -1.559 2.863 1.00 1.00 C ATOM 81 CD GLU A 124 12.114 -1.624 3.807 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.203 -0.774 4.718 1.00 2.28 O ATOM 83 OE2 GLU A 124 12.950 -2.538 3.657 1.00 1.43 O ATOM 0 H GLU A 124 11.122 1.219 0.099 1.00 0.07 H new ATOM 0 HA GLU A 124 9.865 -1.276 0.268 1.00 0.08 H new ATOM 0 HB2 GLU A 124 12.027 -0.612 1.298 1.00 0.14 H new ATOM 0 HB3 GLU A 124 11.188 0.497 2.365 1.00 0.14 H new ATOM 0 HG2 GLU A 124 10.022 -1.397 3.434 1.00 1.00 H new ATOM 0 HG3 GLU A 124 10.827 -2.515 2.351 1.00 1.00 H new ATOM 90 N LEU A 125 8.308 1.121 1.876 1.00 0.03 N ATOM 91 CA LEU A 125 7.048 1.423 2.538 1.00 0.05 C ATOM 92 C LEU A 125 5.959 1.732 1.508 1.00 0.05 C ATOM 93 O LEU A 125 4.782 1.531 1.763 1.00 0.09 O ATOM 94 CB LEU A 125 7.223 2.577 3.538 1.00 0.07 C ATOM 95 CG LEU A 125 7.551 3.948 2.940 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.278 4.694 2.575 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.392 4.764 3.908 1.00 0.09 C ATOM 0 H LEU A 125 8.902 1.930 1.695 1.00 0.03 H new ATOM 0 HA LEU A 125 6.732 0.545 3.101 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.306 2.668 4.120 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.017 2.309 4.235 1.00 0.07 H new ATOM 0 HG LEU A 125 8.128 3.795 2.028 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.534 5.665 2.152 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.715 4.116 1.842 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.671 4.836 3.469 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.616 5.735 3.466 1.00 0.09 H new ATOM 0 HD22 LEU A 125 7.841 4.906 4.838 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.323 4.237 4.115 1.00 0.09 H new ATOM 109 N GLU A 126 6.356 2.204 0.337 1.00 0.04 N ATOM 110 CA GLU A 126 5.397 2.516 -0.719 1.00 0.05 C ATOM 111 C GLU A 126 4.828 1.247 -1.308 1.00 0.04 C ATOM 112 O GLU A 126 3.638 1.158 -1.600 1.00 0.05 O ATOM 113 CB GLU A 126 6.074 3.322 -1.811 1.00 0.06 C ATOM 114 CG GLU A 126 6.470 4.702 -1.357 1.00 0.13 C ATOM 115 CD GLU A 126 5.360 5.713 -1.541 1.00 0.47 C ATOM 116 OE1 GLU A 126 5.179 6.196 -2.674 1.00 0.81 O ATOM 117 OE2 GLU A 126 4.665 6.038 -0.560 1.00 0.74 O ATOM 0 H GLU A 126 7.330 2.380 0.091 1.00 0.04 H new ATOM 0 HA GLU A 126 4.585 3.100 -0.287 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.961 2.789 -2.153 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.402 3.404 -2.665 1.00 0.06 H new ATOM 0 HG2 GLU A 126 6.755 4.667 -0.305 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.349 5.026 -1.915 1.00 0.13 H new ATOM 124 N ARG A 127 5.704 0.275 -1.478 1.00 0.03 N ATOM 125 CA ARG A 127 5.328 -1.029 -2.005 1.00 0.04 C ATOM 126 C ARG A 127 4.233 -1.662 -1.149 1.00 0.03 C ATOM 127 O ARG A 127 3.299 -2.268 -1.674 1.00 0.05 O ATOM 128 CB ARG A 127 6.550 -1.955 -2.075 1.00 0.04 C ATOM 129 CG ARG A 127 7.082 -2.380 -0.718 1.00 0.06 C ATOM 130 CD ARG A 127 8.148 -3.455 -0.838 1.00 0.12 C ATOM 131 NE ARG A 127 7.601 -4.718 -1.328 1.00 1.21 N ATOM 132 CZ ARG A 127 8.191 -5.900 -1.164 1.00 1.61 C ATOM 133 NH1 ARG A 127 9.373 -5.977 -0.565 1.00 1.38 N ATOM 134 NH2 ARG A 127 7.605 -7.004 -1.612 1.00 2.65 N ATOM 0 H ARG A 127 6.696 0.364 -1.256 1.00 0.03 H new ATOM 0 HA ARG A 127 4.940 -0.889 -3.014 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.286 -2.846 -2.645 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.345 -1.450 -2.623 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.497 -1.513 -0.203 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.260 -2.751 -0.106 1.00 0.06 H new ATOM 0 HD2 ARG A 127 8.932 -3.114 -1.514 1.00 0.12 H new ATOM 0 HD3 ARG A 127 8.613 -3.615 0.135 1.00 0.12 H new ATOM 0 HE ARG A 127 6.712 -4.693 -1.827 1.00 1.21 H new ATOM 0 HH11 ARG A 127 9.831 -5.130 -0.229 1.00 1.38 H new ATOM 0 HH12 ARG A 127 9.823 -6.884 -0.440 1.00 1.38 H new ATOM 0 HH21 ARG A 127 6.702 -6.947 -2.082 1.00 2.65 H new ATOM 0 HH22 ARG A 127 8.058 -7.909 -1.486 1.00 2.65 H new ATOM 148 N GLU A 128 4.333 -1.498 0.169 1.00 0.03 N ATOM 149 CA GLU A 128 3.329 -2.045 1.065 1.00 0.03 C ATOM 150 C GLU A 128 2.076 -1.184 1.039 1.00 0.04 C ATOM 151 O GLU A 128 0.973 -1.715 0.970 1.00 0.07 O ATOM 152 CB GLU A 128 3.861 -2.191 2.495 1.00 0.07 C ATOM 153 CG GLU A 128 4.344 -0.906 3.117 1.00 0.09 C ATOM 154 CD GLU A 128 4.608 -1.040 4.599 1.00 0.24 C ATOM 155 OE1 GLU A 128 5.713 -1.486 4.971 1.00 0.39 O ATOM 156 OE2 GLU A 128 3.713 -0.711 5.400 1.00 0.42 O ATOM 0 H GLU A 128 5.091 -0.996 0.631 1.00 0.03 H new ATOM 0 HA GLU A 128 3.076 -3.045 0.712 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.073 -2.609 3.121 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.681 -2.909 2.492 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.258 -0.586 2.617 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.601 -0.126 2.953 1.00 0.09 H new ATOM 163 N LEU A 129 2.246 0.142 1.069 1.00 0.03 N ATOM 164 CA LEU A 129 1.116 1.060 0.960 1.00 0.05 C ATOM 165 C LEU A 129 0.271 0.705 -0.256 1.00 0.06 C ATOM 166 O LEU A 129 -0.929 0.460 -0.142 1.00 0.09 O ATOM 167 CB LEU A 129 1.600 2.505 0.840 1.00 0.06 C ATOM 168 CG LEU A 129 2.388 3.048 2.031 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.921 4.430 1.717 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.524 3.078 3.284 1.00 0.14 C ATOM 0 H LEU A 129 3.153 0.599 1.168 1.00 0.03 H new ATOM 0 HA LEU A 129 0.513 0.966 1.863 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.224 2.586 -0.050 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.733 3.146 0.681 1.00 0.06 H new ATOM 0 HG LEU A 129 3.231 2.383 2.220 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.481 4.807 2.573 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.577 4.378 0.848 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.089 5.101 1.504 1.00 0.11 H new ATOM 0 HD21 LEU A 129 2.107 3.468 4.118 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.659 3.719 3.114 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.187 2.068 3.518 1.00 0.14 H new ATOM 182 N ALA A 130 0.927 0.632 -1.408 1.00 0.07 N ATOM 183 CA ALA A 130 0.265 0.318 -2.666 1.00 0.11 C ATOM 184 C ALA A 130 -0.394 -1.058 -2.627 1.00 0.14 C ATOM 185 O ALA A 130 -1.357 -1.312 -3.348 1.00 0.19 O ATOM 186 CB ALA A 130 1.268 0.384 -3.807 1.00 0.13 C ATOM 0 H ALA A 130 1.931 0.789 -1.495 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.520 1.057 -2.826 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.767 0.148 -4.746 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.690 1.387 -3.863 1.00 0.13 H new ATOM 0 HB3 ALA A 130 2.067 -0.336 -3.631 1.00 0.13 H new ATOM 192 N GLU A 131 0.119 -1.934 -1.774 1.00 0.14 N ATOM 193 CA GLU A 131 -0.406 -3.283 -1.646 1.00 0.18 C ATOM 194 C GLU A 131 -1.776 -3.243 -0.973 1.00 0.22 C ATOM 195 O GLU A 131 -2.723 -3.892 -1.421 1.00 0.26 O ATOM 196 CB GLU A 131 0.605 -4.140 -0.864 1.00 0.17 C ATOM 197 CG GLU A 131 0.070 -4.805 0.398 1.00 0.23 C ATOM 198 CD GLU A 131 -0.770 -6.039 0.121 1.00 0.35 C ATOM 199 OE1 GLU A 131 -0.517 -6.723 -0.892 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.674 -6.342 0.929 1.00 0.56 O ATOM 0 H GLU A 131 0.905 -1.730 -1.156 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.544 -3.736 -2.628 1.00 0.18 H new ATOM 0 HB2 GLU A 131 0.986 -4.916 -1.528 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.452 -3.511 -0.590 1.00 0.17 H new ATOM 0 HG2 GLU A 131 0.909 -5.082 1.037 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.530 -4.084 0.953 1.00 0.23 H new ATOM 207 N LEU A 132 -1.883 -2.452 0.088 1.00 0.21 N ATOM 208 CA LEU A 132 -3.151 -2.291 0.788 1.00 0.25 C ATOM 209 C LEU A 132 -4.132 -1.543 -0.093 1.00 0.29 C ATOM 210 O LEU A 132 -5.324 -1.848 -0.127 1.00 0.35 O ATOM 211 CB LEU A 132 -2.959 -1.526 2.092 1.00 0.25 C ATOM 212 CG LEU A 132 -1.810 -2.014 2.957 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.802 -0.900 3.106 1.00 0.19 C ATOM 214 CD2 LEU A 132 -2.311 -2.484 4.312 1.00 0.32 C ATOM 0 H LEU A 132 -1.110 -1.914 0.481 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.542 -3.282 1.019 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.797 -0.474 1.858 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.881 -1.586 2.670 1.00 0.25 H new ATOM 0 HG LEU A 132 -1.333 -2.869 2.477 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.028 -1.240 3.726 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.427 -0.615 2.123 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.278 -0.040 3.577 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -1.469 -2.828 4.912 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.807 -1.659 4.823 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -3.017 -3.303 4.175 1.00 0.32 H new ATOM 226 N ARG A 133 -3.605 -0.558 -0.804 1.00 0.28 N ATOM 227 CA ARG A 133 -4.380 0.237 -1.734 1.00 0.34 C ATOM 228 C ARG A 133 -4.940 -0.614 -2.865 1.00 0.40 C ATOM 229 O ARG A 133 -6.015 -0.339 -3.394 1.00 0.47 O ATOM 230 CB ARG A 133 -3.478 1.319 -2.296 1.00 0.31 C ATOM 231 CG ARG A 133 -2.946 2.268 -1.246 1.00 0.29 C ATOM 232 CD ARG A 133 -4.050 3.044 -0.555 1.00 1.03 C ATOM 233 NE ARG A 133 -4.905 3.765 -1.495 1.00 1.74 N ATOM 234 CZ ARG A 133 -6.186 4.052 -1.263 1.00 2.61 C ATOM 235 NH1 ARG A 133 -6.752 3.699 -0.114 1.00 3.04 N ATOM 236 NH2 ARG A 133 -6.896 4.700 -2.176 1.00 3.48 N ATOM 0 H ARG A 133 -2.623 -0.289 -0.749 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.228 0.676 -1.209 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.638 0.850 -2.809 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.030 1.889 -3.043 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -2.382 1.704 -0.503 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.251 2.967 -1.711 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -4.660 2.356 0.031 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -3.607 3.753 0.145 1.00 1.03 H new ATOM 0 HE ARG A 133 -4.498 4.066 -2.380 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -6.206 3.207 0.593 1.00 3.04 H new ATOM 0 HH12 ARG A 133 -7.732 3.920 0.061 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -6.462 4.979 -3.056 1.00 3.48 H new ATOM 0 HH22 ARG A 133 -7.876 4.920 -1.998 1.00 3.48 H new