USER MOD reduce.3.24.130724 H: found=0, std=0, add=78, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 79 hydrogens (0 hets) ATOM 29 N GLY A 3 -11.932 0.019 -2.128 1.00 0.00 N ATOM 30 CA GLY A 3 -11.931 -1.374 -2.549 1.00 0.00 C ATOM 31 C GLY A 3 -10.514 -1.932 -2.535 1.00 0.00 C ATOM 32 O GLY A 3 -9.817 -1.936 -1.526 1.00 0.00 O ATOM 0 HA2 GLY A 3 -12.566 -1.961 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.352 -1.458 -3.551 1.00 0.00 H new ATOM 36 N ILE A 4 -10.038 -2.292 -3.727 1.00 0.00 N ATOM 37 CA ILE A 4 -8.679 -2.810 -3.933 1.00 0.00 C ATOM 38 C ILE A 4 -7.652 -1.730 -3.549 1.00 0.00 C ATOM 39 O ILE A 4 -6.581 -2.016 -3.020 1.00 0.00 O ATOM 40 CB ILE A 4 -8.505 -3.293 -5.394 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.589 -4.299 -5.850 1.00 0.00 C ATOM 42 CG2 ILE A 4 -7.109 -3.897 -5.621 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.701 -5.578 -5.008 1.00 0.00 C ATOM 0 H ILE A 4 -10.586 -2.233 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.510 -3.673 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.621 -2.399 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.555 -3.794 -5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.386 -4.582 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.019 -4.226 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.349 -3.144 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.969 -4.749 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.489 -6.212 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.753 -6.115 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.940 -5.315 -3.978 1.00 0.00 H new ATOM 55 N GLY A 5 -8.027 -0.467 -3.750 1.00 0.00 N ATOM 56 CA GLY A 5 -7.258 0.709 -3.401 1.00 0.00 C ATOM 57 C GLY A 5 -7.186 0.959 -1.894 1.00 0.00 C ATOM 58 O GLY A 5 -6.364 1.771 -1.467 1.00 0.00 O ATOM 0 H GLY A 5 -8.921 -0.234 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.247 0.603 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.699 1.580 -3.886 1.00 0.00 H new ATOM 62 N ALA A 6 -8.044 0.331 -1.077 1.00 0.00 N ATOM 63 CA ALA A 6 -7.785 0.220 0.352 1.00 0.00 C ATOM 64 C ALA A 6 -6.604 -0.712 0.586 1.00 0.00 C ATOM 65 O ALA A 6 -5.720 -0.387 1.370 1.00 0.00 O ATOM 66 CB ALA A 6 -9.013 -0.284 1.105 1.00 0.00 C ATOM 0 H ALA A 6 -8.915 -0.102 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.548 1.213 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.784 -0.355 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.841 0.410 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.293 -1.268 0.728 1.00 0.00 H new ATOM 72 N LEU A 7 -6.570 -1.858 -0.103 1.00 0.00 N ATOM 73 CA LEU A 7 -5.537 -2.873 0.096 1.00 0.00 C ATOM 74 C LEU A 7 -4.192 -2.323 -0.345 1.00 0.00 C ATOM 75 O LEU A 7 -3.189 -2.527 0.322 1.00 0.00 O ATOM 76 CB LEU A 7 -5.830 -4.176 -0.679 1.00 0.00 C ATOM 77 CG LEU A 7 -7.304 -4.603 -0.700 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.485 -5.852 -1.571 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.858 -4.871 0.706 1.00 0.00 C ATOM 0 H LEU A 7 -7.259 -2.105 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.525 -3.116 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.488 -4.054 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.241 -4.981 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.867 -3.771 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.535 -6.143 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.164 -5.635 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.885 -6.667 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.904 -5.170 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.284 -5.669 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.780 -3.965 1.307 1.00 0.00 H new ATOM 91 N PHE A 8 -4.193 -1.584 -1.446 1.00 0.00 N ATOM 92 CA PHE A 8 -2.994 -0.971 -2.011 1.00 0.00 C ATOM 93 C PHE A 8 -2.297 -0.040 -1.024 1.00 0.00 C ATOM 94 O PHE A 8 -1.089 -0.103 -0.818 1.00 0.00 O ATOM 95 CB PHE A 8 -3.448 -0.069 -3.154 1.00 0.00 C ATOM 96 CG PHE A 8 -3.746 -0.694 -4.510 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.569 -2.072 -4.766 1.00 0.00 C ATOM 98 CD2 PHE A 8 -4.175 0.147 -5.556 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.801 -2.589 -6.052 1.00 0.00 C ATOM 100 CE2 PHE A 8 -4.427 -0.376 -6.837 1.00 0.00 C ATOM 101 CZ PHE A 8 -4.235 -1.745 -7.088 1.00 0.00 C ATOM 0 H PHE A 8 -5.039 -1.389 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.316 -1.773 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.348 0.451 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.678 0.688 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.254 -2.731 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.312 1.202 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.645 -3.640 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.768 0.275 -7.628 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.420 -2.147 -8.073 1.00 0.00 H new ATOM 111 N LEU A 9 -3.084 0.849 -0.428 1.00 0.00 N ATOM 112 CA LEU A 9 -2.566 1.846 0.493 1.00 0.00 C ATOM 113 C LEU A 9 -2.304 1.183 1.842 1.00 0.00 C ATOM 114 O LEU A 9 -1.368 1.528 2.555 1.00 0.00 O ATOM 115 CB LEU A 9 -3.623 2.966 0.588 1.00 0.00 C ATOM 116 CG LEU A 9 -3.537 3.842 1.849 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.247 4.674 1.897 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.744 4.789 1.896 1.00 0.00 C ATOM 0 H LEU A 9 -4.093 0.897 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.622 2.274 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.529 3.608 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.614 2.513 0.546 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.534 3.173 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.235 5.275 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.384 4.008 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.205 5.331 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.684 5.411 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.742 5.425 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.664 4.205 1.921 1.00 0.00 H new ATOM 130 N GLY A 10 -3.189 0.258 2.185 1.00 0.00 N ATOM 131 CA GLY A 10 -3.380 -0.223 3.546 1.00 0.00 C ATOM 132 C GLY A 10 -2.698 -1.561 3.773 1.00 0.00 C ATOM 133 O GLY A 10 -1.696 -1.636 4.476 1.00 0.00 O ATOM 0 H GLY A 10 -3.808 -0.189 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.985 0.510 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.446 -0.319 3.751 1.00 0.00 H new ATOM 137 N PHE A 11 -3.254 -2.622 3.188 1.00 0.00 N ATOM 138 CA PHE A 11 -2.786 -3.995 3.352 1.00 0.00 C ATOM 139 C PHE A 11 -1.335 -4.146 2.863 1.00 0.00 C ATOM 140 O PHE A 11 -0.479 -4.654 3.584 1.00 0.00 O ATOM 141 CB PHE A 11 -3.756 -4.917 2.591 1.00 0.00 C ATOM 142 CG PHE A 11 -3.536 -6.395 2.844 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.155 -7.021 3.943 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.717 -7.148 1.980 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.958 -8.393 4.176 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.520 -8.520 2.214 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.141 -9.144 3.311 1.00 0.00 C ATOM 0 H PHE A 11 -4.063 -2.547 2.571 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.777 -4.273 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.778 -4.660 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.660 -4.724 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.782 -6.446 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.240 -6.671 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.434 -8.871 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.891 -9.096 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.991 -10.199 3.489 1.00 0.00 H new ATOM 157 N LEU A 12 -1.054 -3.646 1.656 1.00 0.00 N ATOM 158 CA LEU A 12 0.273 -3.545 1.063 1.00 0.00 C ATOM 159 C LEU A 12 1.121 -2.541 1.844 1.00 0.00 C ATOM 160 O LEU A 12 2.253 -2.864 2.191 1.00 0.00 O ATOM 161 CB LEU A 12 0.124 -3.180 -0.429 1.00 0.00 C ATOM 162 CG LEU A 12 1.346 -2.514 -1.099 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.562 -3.446 -1.131 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.002 -2.110 -2.540 1.00 0.00 C ATOM 0 H LEU A 12 -1.783 -3.285 1.041 1.00 0.00 H new ATOM 0 HA LEU A 12 0.797 -4.499 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.115 -4.089 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.730 -2.510 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 12 1.597 -1.636 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.398 -2.937 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.839 -3.718 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.315 -4.347 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.870 -1.641 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.721 -2.996 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.170 -1.405 -2.532 1.00 0.00 H new ATOM 176 N GLY A 13 0.595 -1.351 2.159 1.00 0.00 N ATOM 177 CA GLY A 13 1.407 -0.305 2.775 1.00 0.00 C ATOM 178 C GLY A 13 1.825 -0.654 4.205 1.00 0.00 C ATOM 179 O GLY A 13 2.909 -0.258 4.623 1.00 0.00 O ATOM 0 H GLY A 13 -0.379 -1.094 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.298 -0.138 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.846 0.630 2.782 1.00 0.00 H new