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 10.728 3.049 -0.994 1.00 0.12 N ATOM 60 CA VAL A 123 9.960 2.167 -1.864 1.00 0.08 C ATOM 61 C VAL A 123 9.442 0.967 -1.073 1.00 0.05 C ATOM 62 O VAL A 123 8.364 0.451 -1.350 1.00 0.05 O ATOM 63 CB VAL A 123 10.775 1.693 -3.095 1.00 0.13 C ATOM 64 CG1 VAL A 123 12.055 0.986 -2.684 1.00 0.16 C ATOM 65 CG2 VAL A 123 9.930 0.787 -3.974 1.00 0.14 C ATOM 0 HA VAL A 123 9.116 2.742 -2.244 1.00 0.08 H new ATOM 0 HB VAL A 123 11.055 2.579 -3.664 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.598 0.669 -3.575 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.677 1.667 -2.103 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.810 0.113 -2.079 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.517 0.463 -4.833 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.615 -0.085 -3.401 1.00 0.14 H new ATOM 0 HG23 VAL A 123 9.051 1.332 -4.319 1.00 0.14 H new ATOM 75 N GLU A 124 10.208 0.554 -0.072 1.00 0.07 N ATOM 76 CA GLU A 124 9.802 -0.517 0.833 1.00 0.08 C ATOM 77 C GLU A 124 8.495 -0.188 1.547 1.00 0.05 C ATOM 78 O GLU A 124 7.673 -1.069 1.790 1.00 0.09 O ATOM 79 CB GLU A 124 10.898 -0.789 1.860 1.00 0.14 C ATOM 80 CG GLU A 124 12.110 -1.475 1.265 1.00 1.00 C ATOM 81 CD GLU A 124 13.108 -1.914 2.314 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.747 -2.745 3.174 1.00 1.43 O ATOM 83 OE2 GLU A 124 14.262 -1.440 2.282 1.00 2.28 O ATOM 0 H GLU A 124 11.125 0.949 0.136 1.00 0.07 H new ATOM 0 HA GLU A 124 9.641 -1.410 0.230 1.00 0.08 H new ATOM 0 HB2 GLU A 124 11.206 0.154 2.312 1.00 0.14 H new ATOM 0 HB3 GLU A 124 10.493 -1.409 2.660 1.00 0.14 H new ATOM 0 HG2 GLU A 124 11.786 -2.344 0.692 1.00 1.00 H new ATOM 0 HG3 GLU A 124 12.599 -0.797 0.566 1.00 1.00 H new ATOM 90 N LEU A 125 8.298 1.074 1.884 1.00 0.03 N ATOM 91 CA LEU A 125 7.067 1.478 2.551 1.00 0.05 C ATOM 92 C LEU A 125 5.982 1.813 1.525 1.00 0.05 C ATOM 93 O LEU A 125 4.797 1.681 1.798 1.00 0.09 O ATOM 94 CB LEU A 125 7.317 2.656 3.509 1.00 0.07 C ATOM 95 CG LEU A 125 7.559 4.021 2.857 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.245 4.757 2.644 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.504 4.855 3.706 1.00 0.09 C ATOM 0 H LEU A 125 8.962 1.829 1.711 1.00 0.03 H new ATOM 0 HA LEU A 125 6.713 0.639 3.151 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.459 2.743 4.176 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.180 2.415 4.129 1.00 0.07 H new ATOM 0 HG LEU A 125 8.020 3.858 1.883 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.441 5.724 2.180 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.599 4.167 1.994 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.753 4.909 3.605 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.665 5.821 3.228 1.00 0.09 H new ATOM 0 HD22 LEU A 125 8.068 5.006 4.694 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.457 4.336 3.806 1.00 0.09 H new ATOM 109 N GLU A 126 6.392 2.235 0.342 1.00 0.04 N ATOM 110 CA GLU A 126 5.446 2.558 -0.722 1.00 0.05 C ATOM 111 C GLU A 126 4.845 1.296 -1.308 1.00 0.04 C ATOM 112 O GLU A 126 3.646 1.225 -1.583 1.00 0.05 O ATOM 113 CB GLU A 126 6.152 3.342 -1.814 1.00 0.06 C ATOM 114 CG GLU A 126 6.649 4.689 -1.347 1.00 0.13 C ATOM 115 CD GLU A 126 5.634 5.793 -1.543 1.00 0.47 C ATOM 116 OE1 GLU A 126 5.479 6.281 -2.680 1.00 0.81 O ATOM 117 OE2 GLU A 126 4.967 6.163 -0.557 1.00 0.74 O ATOM 0 H GLU A 126 7.372 2.363 0.090 1.00 0.04 H new ATOM 0 HA GLU A 126 4.642 3.161 -0.299 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.995 2.759 -2.185 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.469 3.483 -2.651 1.00 0.06 H new ATOM 0 HG2 GLU A 126 6.911 4.627 -0.291 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.561 4.941 -1.888 1.00 0.13 H new ATOM 124 N ARG A 127 5.699 0.304 -1.493 1.00 0.03 N ATOM 125 CA ARG A 127 5.288 -0.986 -2.032 1.00 0.04 C ATOM 126 C ARG A 127 4.194 -1.603 -1.164 1.00 0.03 C ATOM 127 O ARG A 127 3.218 -2.149 -1.679 1.00 0.05 O ATOM 128 CB ARG A 127 6.488 -1.940 -2.125 1.00 0.04 C ATOM 129 CG ARG A 127 7.031 -2.365 -0.772 1.00 0.06 C ATOM 130 CD ARG A 127 8.166 -3.362 -0.898 1.00 0.12 C ATOM 131 NE ARG A 127 8.707 -3.721 0.411 1.00 1.21 N ATOM 132 CZ ARG A 127 9.888 -4.303 0.602 1.00 1.61 C ATOM 133 NH1 ARG A 127 10.649 -4.634 -0.433 1.00 1.38 N ATOM 134 NH2 ARG A 127 10.307 -4.556 1.835 1.00 2.65 N ATOM 0 H ARG A 127 6.694 0.367 -1.276 1.00 0.03 H new ATOM 0 HA ARG A 127 4.892 -0.826 -3.035 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.194 -2.828 -2.684 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.284 -1.456 -2.691 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.380 -1.486 -0.230 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.227 -2.805 -0.182 1.00 0.06 H new ATOM 0 HD2 ARG A 127 7.810 -4.259 -1.405 1.00 0.12 H new ATOM 0 HD3 ARG A 127 8.957 -2.939 -1.517 1.00 0.12 H new ATOM 0 HE ARG A 127 8.141 -3.511 1.233 1.00 1.21 H new ATOM 0 HH11 ARG A 127 10.330 -4.443 -1.383 1.00 1.38 H new ATOM 0 HH12 ARG A 127 11.553 -5.080 -0.279 1.00 1.38 H new ATOM 0 HH21 ARG A 127 9.724 -4.304 2.633 1.00 2.65 H new ATOM 0 HH22 ARG A 127 11.212 -5.002 1.985 1.00 2.65 H new ATOM 148 N GLU A 128 4.349 -1.494 0.153 1.00 0.03 N ATOM 149 CA GLU A 128 3.372 -2.037 1.074 1.00 0.03 C ATOM 150 C GLU A 128 2.113 -1.186 1.077 1.00 0.04 C ATOM 151 O GLU A 128 1.010 -1.725 1.073 1.00 0.07 O ATOM 152 CB GLU A 128 3.961 -2.171 2.480 1.00 0.07 C ATOM 153 CG GLU A 128 4.588 -0.904 3.016 1.00 0.09 C ATOM 154 CD GLU A 128 5.217 -1.090 4.378 1.00 0.24 C ATOM 155 OE1 GLU A 128 6.225 -1.819 4.480 1.00 0.39 O ATOM 156 OE2 GLU A 128 4.698 -0.516 5.360 1.00 0.42 O ATOM 0 H GLU A 128 5.143 -1.034 0.599 1.00 0.03 H new ATOM 0 HA GLU A 128 3.099 -3.037 0.738 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.173 -2.489 3.162 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.713 -2.960 2.472 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.347 -0.555 2.315 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.828 -0.125 3.076 1.00 0.09 H new ATOM 163 N LEU A 129 2.276 0.141 1.053 1.00 0.03 N ATOM 164 CA LEU A 129 1.136 1.048 0.929 1.00 0.05 C ATOM 165 C LEU A 129 0.259 0.629 -0.242 1.00 0.06 C ATOM 166 O LEU A 129 -0.931 0.365 -0.077 1.00 0.09 O ATOM 167 CB LEU A 129 1.603 2.489 0.714 1.00 0.06 C ATOM 168 CG LEU A 129 2.360 3.122 1.879 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.898 4.481 1.473 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.464 3.242 3.102 1.00 0.14 C ATOM 0 H LEU A 129 3.181 0.606 1.118 1.00 0.03 H new ATOM 0 HA LEU A 129 0.565 0.996 1.856 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.243 2.516 -0.168 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.731 3.105 0.494 1.00 0.06 H new ATOM 0 HG LEU A 129 3.200 2.478 2.140 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.436 4.924 2.311 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.575 4.366 0.627 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.070 5.130 1.190 1.00 0.11 H new ATOM 0 HD21 LEU A 129 2.024 3.696 3.920 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.603 3.865 2.862 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.123 2.251 3.402 1.00 0.14 H new ATOM 182 N ALA A 130 0.876 0.530 -1.413 1.00 0.07 N ATOM 183 CA ALA A 130 0.179 0.152 -2.635 1.00 0.11 C ATOM 184 C ALA A 130 -0.447 -1.235 -2.517 1.00 0.14 C ATOM 185 O ALA A 130 -1.441 -1.534 -3.175 1.00 0.19 O ATOM 186 CB ALA A 130 1.142 0.196 -3.810 1.00 0.13 C ATOM 0 H ALA A 130 1.872 0.709 -1.542 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.628 0.865 -2.800 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.617 -0.087 -4.722 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.538 1.206 -3.918 1.00 0.13 H new ATOM 0 HB3 ALA A 130 1.963 -0.499 -3.634 1.00 0.13 H new ATOM 192 N GLU A 131 0.127 -2.065 -1.658 1.00 0.14 N ATOM 193 CA GLU A 131 -0.328 -3.424 -1.473 1.00 0.18 C ATOM 194 C GLU A 131 -1.626 -3.443 -0.658 1.00 0.22 C ATOM 195 O GLU A 131 -2.573 -4.147 -1.007 1.00 0.26 O ATOM 196 CB GLU A 131 0.799 -4.221 -0.803 1.00 0.17 C ATOM 197 CG GLU A 131 0.360 -5.087 0.355 1.00 0.23 C ATOM 198 CD GLU A 131 -0.211 -6.420 -0.090 1.00 0.35 C ATOM 199 OE1 GLU A 131 0.406 -7.084 -0.950 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.286 -6.808 0.413 1.00 0.56 O ATOM 0 H GLU A 131 0.922 -1.809 -1.072 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.559 -3.890 -2.431 1.00 0.18 H new ATOM 0 HB2 GLU A 131 1.273 -4.854 -1.553 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.558 -3.523 -0.449 1.00 0.17 H new ATOM 0 HG2 GLU A 131 1.210 -5.263 1.014 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.390 -4.553 0.938 1.00 0.23 H new ATOM 207 N LEU A 132 -1.681 -2.647 0.411 1.00 0.21 N ATOM 208 CA LEU A 132 -2.898 -2.539 1.213 1.00 0.25 C ATOM 209 C LEU A 132 -3.977 -1.846 0.403 1.00 0.29 C ATOM 210 O LEU A 132 -5.153 -2.189 0.467 1.00 0.35 O ATOM 211 CB LEU A 132 -2.656 -1.741 2.487 1.00 0.25 C ATOM 212 CG LEU A 132 -1.412 -2.120 3.265 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.548 -0.894 3.406 1.00 0.19 C ATOM 214 CD2 LEU A 132 -1.773 -2.693 4.625 1.00 0.32 C ATOM 0 H LEU A 132 -0.904 -2.073 0.738 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.209 -3.547 1.486 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.594 -0.684 2.227 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.522 -1.858 3.139 1.00 0.25 H new ATOM 0 HG LEU A 132 -0.865 -2.895 2.729 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.354 -1.147 3.964 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.272 -0.528 2.417 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.100 -0.120 3.939 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -0.862 -2.957 5.162 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.329 -1.950 5.197 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -2.387 -3.584 4.493 1.00 0.32 H new ATOM 226 N ARG A 133 -3.552 -0.856 -0.356 1.00 0.28 N ATOM 227 CA ARG A 133 -4.431 -0.138 -1.255 1.00 0.34 C ATOM 228 C ARG A 133 -5.017 -1.079 -2.300 1.00 0.40 C ATOM 229 O ARG A 133 -6.110 -0.861 -2.809 1.00 0.47 O ATOM 230 CB ARG A 133 -3.645 0.975 -1.928 1.00 0.31 C ATOM 231 CG ARG A 133 -3.182 2.047 -0.966 1.00 0.29 C ATOM 232 CD ARG A 133 -2.455 3.174 -1.679 1.00 1.03 C ATOM 233 NE ARG A 133 -1.783 4.068 -0.736 1.00 1.74 N ATOM 234 CZ ARG A 133 -0.794 4.900 -1.066 1.00 2.61 C ATOM 235 NH1 ARG A 133 -0.362 4.961 -2.323 1.00 3.04 N ATOM 236 NH2 ARG A 133 -0.234 5.665 -0.137 1.00 3.48 N ATOM 0 H ARG A 133 -2.587 -0.527 -0.366 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.258 0.288 -0.687 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.777 0.546 -2.428 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.264 1.432 -2.700 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -4.042 2.451 -0.432 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.522 1.604 -0.220 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -1.722 2.755 -2.368 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -3.166 3.744 -2.277 1.00 1.03 H new ATOM 0 HE ARG A 133 -2.091 4.054 0.236 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -0.787 4.370 -3.038 1.00 3.04 H new ATOM 0 HH12 ARG A 133 0.394 5.598 -2.572 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -0.560 5.616 0.828 1.00 3.48 H new ATOM 0 HH22 ARG A 133 0.522 6.302 -0.388 1.00 3.48 H new