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 10.749 3.122 -1.081 1.00 0.12 N ATOM 60 CA VAL A 123 9.990 2.177 -1.888 1.00 0.08 C ATOM 61 C VAL A 123 9.477 1.019 -1.032 1.00 0.05 C ATOM 62 O VAL A 123 8.391 0.495 -1.263 1.00 0.05 O ATOM 63 CB VAL A 123 10.833 1.630 -3.065 1.00 0.13 C ATOM 64 CG1 VAL A 123 12.094 0.938 -2.571 1.00 0.16 C ATOM 65 CG2 VAL A 123 10.004 0.687 -3.919 1.00 0.14 C ATOM 0 HA VAL A 123 9.137 2.716 -2.301 1.00 0.08 H new ATOM 0 HB VAL A 123 11.140 2.477 -3.678 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.662 0.566 -3.423 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.703 1.648 -2.011 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.822 0.104 -1.924 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.612 0.312 -4.742 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.662 -0.150 -3.310 1.00 0.14 H new ATOM 0 HG23 VAL A 123 9.142 1.221 -4.319 1.00 0.14 H new ATOM 75 N GLU A 124 10.262 0.649 -0.029 1.00 0.07 N ATOM 76 CA GLU A 124 9.912 -0.422 0.896 1.00 0.08 C ATOM 77 C GLU A 124 8.575 -0.155 1.590 1.00 0.05 C ATOM 78 O GLU A 124 7.807 -1.080 1.842 1.00 0.09 O ATOM 79 CB GLU A 124 11.026 -0.593 1.932 1.00 0.14 C ATOM 80 CG GLU A 124 10.799 -1.737 2.903 1.00 1.00 C ATOM 81 CD GLU A 124 11.907 -1.852 3.924 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.905 -2.541 3.644 1.00 1.43 O ATOM 83 OE2 GLU A 124 11.785 -1.255 5.016 1.00 2.28 O ATOM 0 H GLU A 124 11.163 1.085 0.167 1.00 0.07 H new ATOM 0 HA GLU A 124 9.804 -1.343 0.323 1.00 0.08 H new ATOM 0 HB2 GLU A 124 11.970 -0.754 1.411 1.00 0.14 H new ATOM 0 HB3 GLU A 124 11.128 0.334 2.497 1.00 0.14 H new ATOM 0 HG2 GLU A 124 9.849 -1.591 3.417 1.00 1.00 H new ATOM 0 HG3 GLU A 124 10.721 -2.672 2.348 1.00 1.00 H new ATOM 90 N LEU A 125 8.289 1.105 1.893 1.00 0.03 N ATOM 91 CA LEU A 125 7.030 1.442 2.542 1.00 0.05 C ATOM 92 C LEU A 125 5.957 1.758 1.499 1.00 0.05 C ATOM 93 O LEU A 125 4.770 1.579 1.746 1.00 0.09 O ATOM 94 CB LEU A 125 7.219 2.606 3.528 1.00 0.07 C ATOM 95 CG LEU A 125 7.490 3.979 2.908 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.188 4.718 2.647 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.396 4.800 3.811 1.00 0.09 C ATOM 0 H LEU A 125 8.901 1.899 1.703 1.00 0.03 H new ATOM 0 HA LEU A 125 6.693 0.578 3.115 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.325 2.680 4.147 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.047 2.361 4.193 1.00 0.07 H new ATOM 0 HG LEU A 125 7.995 3.830 1.954 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.404 5.691 2.206 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.572 4.138 1.961 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.653 4.856 3.587 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.579 5.773 3.355 1.00 0.09 H new ATOM 0 HD22 LEU A 125 7.916 4.937 4.780 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.344 4.279 3.946 1.00 0.09 H new ATOM 109 N GLU A 126 6.380 2.208 0.329 1.00 0.04 N ATOM 110 CA GLU A 126 5.449 2.534 -0.748 1.00 0.05 C ATOM 111 C GLU A 126 4.857 1.273 -1.346 1.00 0.04 C ATOM 112 O GLU A 126 3.667 1.207 -1.658 1.00 0.05 O ATOM 113 CB GLU A 126 6.174 3.310 -1.831 1.00 0.06 C ATOM 114 CG GLU A 126 6.666 4.658 -1.369 1.00 0.13 C ATOM 115 CD GLU A 126 5.590 5.720 -1.414 1.00 0.47 C ATOM 116 OE1 GLU A 126 5.204 6.140 -2.520 1.00 0.81 O ATOM 117 OE2 GLU A 126 5.119 6.136 -0.333 1.00 0.74 O ATOM 0 H GLU A 126 7.362 2.357 0.097 1.00 0.04 H new ATOM 0 HA GLU A 126 4.642 3.139 -0.335 1.00 0.05 H new ATOM 0 HB2 GLU A 126 7.022 2.723 -2.184 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.505 3.446 -2.681 1.00 0.06 H new ATOM 0 HG2 GLU A 126 7.044 4.572 -0.350 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.503 4.968 -1.994 1.00 0.13 H new ATOM 124 N ARG A 127 5.717 0.284 -1.512 1.00 0.03 N ATOM 125 CA ARG A 127 5.322 -1.013 -2.045 1.00 0.04 C ATOM 126 C ARG A 127 4.217 -1.631 -1.191 1.00 0.03 C ATOM 127 O ARG A 127 3.275 -2.226 -1.717 1.00 0.05 O ATOM 128 CB ARG A 127 6.534 -1.956 -2.097 1.00 0.04 C ATOM 129 CG ARG A 127 7.021 -2.388 -0.724 1.00 0.06 C ATOM 130 CD ARG A 127 8.125 -3.424 -0.798 1.00 0.12 C ATOM 131 NE ARG A 127 8.560 -3.829 0.538 1.00 1.21 N ATOM 132 CZ ARG A 127 9.641 -4.563 0.788 1.00 1.61 C ATOM 133 NH1 ARG A 127 10.409 -4.981 -0.210 1.00 1.38 N ATOM 134 NH2 ARG A 127 9.944 -4.882 2.041 1.00 2.65 N ATOM 0 H ARG A 127 6.708 0.354 -1.282 1.00 0.03 H new ATOM 0 HA ARG A 127 4.941 -0.868 -3.056 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.272 -2.841 -2.677 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.349 -1.460 -2.624 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.382 -1.516 -0.179 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.184 -2.794 -0.156 1.00 0.06 H new ATOM 0 HD2 ARG A 127 7.773 -4.296 -1.349 1.00 0.12 H new ATOM 0 HD3 ARG A 127 8.972 -3.018 -1.352 1.00 0.12 H new ATOM 0 HE ARG A 127 7.996 -3.528 1.333 1.00 1.21 H new ATOM 0 HH11 ARG A 127 10.171 -4.740 -1.172 1.00 1.38 H new ATOM 0 HH12 ARG A 127 11.237 -5.544 -0.015 1.00 1.38 H new ATOM 0 HH21 ARG A 127 9.349 -4.564 2.806 1.00 2.65 H new ATOM 0 HH22 ARG A 127 10.772 -5.445 2.238 1.00 2.65 H new ATOM 148 N GLU A 128 4.324 -1.467 0.125 1.00 0.03 N ATOM 149 CA GLU A 128 3.345 -2.030 1.034 1.00 0.03 C ATOM 150 C GLU A 128 2.097 -1.164 1.080 1.00 0.04 C ATOM 151 O GLU A 128 0.990 -1.691 1.121 1.00 0.07 O ATOM 152 CB GLU A 128 3.934 -2.222 2.428 1.00 0.07 C ATOM 153 CG GLU A 128 4.506 -0.971 3.042 1.00 0.09 C ATOM 154 CD GLU A 128 5.054 -1.212 4.427 1.00 0.24 C ATOM 155 OE1 GLU A 128 6.093 -1.892 4.549 1.00 0.39 O ATOM 156 OE2 GLU A 128 4.437 -0.742 5.404 1.00 0.42 O ATOM 0 H GLU A 128 5.077 -0.950 0.579 1.00 0.03 H new ATOM 0 HA GLU A 128 3.061 -3.013 0.659 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.158 -2.612 3.086 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.718 -2.978 2.377 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.299 -0.585 2.402 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.732 -0.205 3.088 1.00 0.09 H new ATOM 163 N LEU A 129 2.273 0.160 1.058 1.00 0.03 N ATOM 164 CA LEU A 129 1.136 1.075 0.962 1.00 0.05 C ATOM 165 C LEU A 129 0.239 0.659 -0.191 1.00 0.06 C ATOM 166 O LEU A 129 -0.956 0.423 -0.014 1.00 0.09 O ATOM 167 CB LEU A 129 1.608 2.513 0.740 1.00 0.06 C ATOM 168 CG LEU A 129 2.356 3.153 1.906 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.929 4.492 1.482 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.435 3.320 3.107 1.00 0.14 C ATOM 0 H LEU A 129 3.183 0.618 1.105 1.00 0.03 H new ATOM 0 HA LEU A 129 0.582 1.030 1.900 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.255 2.532 -0.137 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.739 3.129 0.508 1.00 0.06 H new ATOM 0 HG LEU A 129 3.177 2.497 2.198 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.461 4.942 2.320 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.619 4.346 0.651 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.119 5.152 1.170 1.00 0.11 H new ATOM 0 HD21 LEU A 129 1.987 3.778 3.928 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.594 3.958 2.835 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.064 2.344 3.419 1.00 0.14 H new ATOM 182 N ALA A 130 0.846 0.521 -1.361 1.00 0.07 N ATOM 183 CA ALA A 130 0.137 0.122 -2.567 1.00 0.11 C ATOM 184 C ALA A 130 -0.472 -1.270 -2.422 1.00 0.14 C ATOM 185 O ALA A 130 -1.469 -1.590 -3.067 1.00 0.19 O ATOM 186 CB ALA A 130 1.086 0.157 -3.753 1.00 0.13 C ATOM 0 H ALA A 130 1.843 0.683 -1.500 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.679 0.826 -2.731 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.552 -0.142 -4.655 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.473 1.168 -3.879 1.00 0.13 H new ATOM 0 HB3 ALA A 130 1.914 -0.530 -3.577 1.00 0.13 H new ATOM 192 N GLU A 131 0.120 -2.084 -1.561 1.00 0.14 N ATOM 193 CA GLU A 131 -0.327 -3.444 -1.354 1.00 0.18 C ATOM 194 C GLU A 131 -1.627 -3.447 -0.547 1.00 0.22 C ATOM 195 O GLU A 131 -2.578 -4.142 -0.899 1.00 0.26 O ATOM 196 CB GLU A 131 0.797 -4.233 -0.665 1.00 0.17 C ATOM 197 CG GLU A 131 0.372 -5.018 0.561 1.00 0.23 C ATOM 198 CD GLU A 131 -0.183 -6.386 0.221 1.00 0.35 C ATOM 199 OE1 GLU A 131 0.615 -7.286 -0.100 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.413 -6.573 0.279 1.00 0.56 O ATOM 0 H GLU A 131 0.922 -1.817 -0.990 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.545 -3.929 -2.305 1.00 0.18 H new ATOM 0 HB2 GLU A 131 1.231 -4.924 -1.388 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.585 -3.537 -0.377 1.00 0.17 H new ATOM 0 HG2 GLU A 131 1.227 -5.134 1.227 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.382 -4.451 1.106 1.00 0.23 H new ATOM 207 N LEU A 132 -1.678 -2.640 0.512 1.00 0.21 N ATOM 208 CA LEU A 132 -2.892 -2.517 1.316 1.00 0.25 C ATOM 209 C LEU A 132 -3.986 -1.868 0.489 1.00 0.29 C ATOM 210 O LEU A 132 -5.159 -2.227 0.579 1.00 0.35 O ATOM 211 CB LEU A 132 -2.648 -1.672 2.561 1.00 0.25 C ATOM 212 CG LEU A 132 -1.422 -2.055 3.373 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.517 -0.852 3.494 1.00 0.19 C ATOM 214 CD2 LEU A 132 -1.817 -2.574 4.745 1.00 0.32 C ATOM 0 H LEU A 132 -0.898 -2.065 0.831 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.193 -3.518 1.626 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.553 -0.629 2.260 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.526 -1.739 3.204 1.00 0.25 H new ATOM 0 HG LEU A 132 -0.891 -2.858 2.863 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.366 -1.118 4.076 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.212 -0.525 2.500 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.051 -0.044 3.994 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -0.921 -2.841 5.305 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.364 -1.800 5.283 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -2.450 -3.454 4.633 1.00 0.32 H new ATOM 226 N ARG A 133 -3.576 -0.903 -0.317 1.00 0.28 N ATOM 227 CA ARG A 133 -4.464 -0.204 -1.221 1.00 0.34 C ATOM 228 C ARG A 133 -5.034 -1.138 -2.275 1.00 0.40 C ATOM 229 O ARG A 133 -6.106 -0.894 -2.822 1.00 0.47 O ATOM 230 CB ARG A 133 -3.682 0.920 -1.875 1.00 0.31 C ATOM 231 CG ARG A 133 -3.283 2.011 -0.905 1.00 0.29 C ATOM 232 CD ARG A 133 -4.427 2.963 -0.587 1.00 1.03 C ATOM 233 NE ARG A 133 -5.588 2.274 -0.017 1.00 1.74 N ATOM 234 CZ ARG A 133 -5.765 2.048 1.284 1.00 2.61 C ATOM 235 NH1 ARG A 133 -4.889 2.507 2.170 1.00 3.04 N ATOM 236 NH2 ARG A 133 -6.830 1.373 1.699 1.00 3.48 N ATOM 0 H ARG A 133 -2.609 -0.582 -0.360 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.309 0.196 -0.660 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.785 0.509 -2.338 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.282 1.355 -2.674 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -2.926 1.557 0.019 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.451 2.577 -1.324 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -4.079 3.723 0.113 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -4.727 3.482 -1.497 1.00 1.03 H new ATOM 0 HE ARG A 133 -6.309 1.945 -0.659 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -4.075 3.036 1.856 1.00 3.04 H new ATOM 0 HH12 ARG A 133 -5.030 2.331 3.165 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -7.511 1.028 1.022 1.00 3.48 H new ATOM 0 HH22 ARG A 133 -6.967 1.199 2.695 1.00 3.48 H new