USER MOD reduce.3.24.130724 H: found=0, std=0, add=57, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 45 hydrogens (0 hets) ATOM 1 CA GLY A 1 -5.830 -1.165 27.329 1.00 0.00 C ATOM 2 C GLY A 1 -6.930 -0.122 27.216 1.00 0.00 C ATOM 3 N VAL A 2 -7.983 -0.311 28.006 1.00 0.00 N ATOM 4 CA VAL A 2 -9.123 0.602 28.017 1.00 0.00 C ATOM 5 C VAL A 2 -8.676 2.007 28.386 1.00 0.00 C ATOM 6 O VAL A 2 -9.004 2.978 27.705 1.00 0.00 O ATOM 0 H VAL A 2 -8.071 -1.095 28.652 1.00 0.00 H new ATOM 8 N ILE A 3 -7.921 2.102 29.477 1.00 0.00 N ATOM 9 CA ILE A 3 -7.412 3.381 29.964 1.00 0.00 C ATOM 10 C ILE A 3 -6.402 3.959 28.986 1.00 0.00 C ATOM 11 O ILE A 3 -6.253 5.174 28.868 1.00 0.00 O ATOM 0 H ILE A 3 -7.646 1.301 30.045 1.00 0.00 H new ATOM 13 N ASP A 4 -5.707 3.068 28.285 1.00 0.00 N ATOM 14 CA ASP A 4 -4.698 3.461 27.305 1.00 0.00 C ATOM 15 C ASP A 4 -5.295 4.410 26.278 1.00 0.00 C ATOM 16 O ASP A 4 -4.743 5.472 25.997 1.00 0.00 O ATOM 0 H ASP A 4 -5.826 2.059 28.379 1.00 0.00 H new ATOM 18 N THR A 5 -6.435 4.010 25.721 1.00 0.00 N ATOM 19 CA THR A 5 -7.134 4.808 24.718 1.00 0.00 C ATOM 20 C THR A 5 -6.378 6.097 24.440 1.00 0.00 C ATOM 21 O THR A 5 -6.163 6.473 23.289 1.00 0.00 O ATOM 0 H THR A 5 -6.897 3.130 25.950 1.00 0.00 H new ATOM 23 N SER A 6 -5.976 6.770 25.514 1.00 0.00 N ATOM 24 CA SER A 6 -5.238 8.026 25.417 1.00 0.00 C ATOM 25 C SER A 6 -3.938 7.822 24.657 1.00 0.00 C ATOM 26 O SER A 6 -3.779 8.292 23.531 1.00 0.00 O ATOM 0 H SER A 6 -6.151 6.463 26.471 1.00 0.00 H new ATOM 28 N ALA A 7 -3.008 7.112 25.289 1.00 0.00 N ATOM 29 CA ALA A 7 -1.706 6.827 24.693 1.00 0.00 C ATOM 30 C ALA A 7 -1.858 5.909 23.492 1.00 0.00 C ATOM 31 O ALA A 7 -1.074 5.964 22.546 1.00 0.00 O ATOM 0 H ALA A 7 -3.134 6.720 26.222 1.00 0.00 H new ATOM 33 N VAL A 8 -2.883 5.063 23.542 1.00 0.00 N ATOM 34 CA VAL A 8 -3.166 4.116 22.467 1.00 0.00 C ATOM 35 C VAL A 8 -3.396 4.852 21.157 1.00 0.00 C ATOM 36 O VAL A 8 -2.907 4.444 20.104 1.00 0.00 O ATOM 0 H VAL A 8 -3.537 5.014 24.323 1.00 0.00 H new ATOM 38 N GLU A 9 -4.150 5.945 21.236 1.00 0.00 N ATOM 39 CA GLU A 9 -4.464 6.762 20.067 1.00 0.00 C ATOM 40 C GLU A 9 -3.206 7.044 19.261 1.00 0.00 C ATOM 41 O GLU A 9 -3.193 6.918 18.038 1.00 0.00 O ATOM 0 H GLU A 9 -4.558 6.288 22.106 1.00 0.00 H new ATOM 43 N SER A 10 -2.146 7.428 19.966 1.00 0.00 N ATOM 44 CA SER A 10 -0.863 7.736 19.341 1.00 0.00 C ATOM 45 C SER A 10 -0.357 6.543 18.548 1.00 0.00 C ATOM 46 O SER A 10 0.079 6.677 17.406 1.00 0.00 O ATOM 0 H SER A 10 -2.151 7.534 20.980 1.00 0.00 H new ATOM 48 N ALA A 11 -0.421 5.370 19.171 1.00 0.00 N ATOM 49 CA ALA A 11 0.025 4.128 18.545 1.00 0.00 C ATOM 50 C ALA A 11 -0.848 3.792 17.347 1.00 0.00 C ATOM 51 O ALA A 11 -0.377 3.252 16.348 1.00 0.00 O ATOM 0 H ALA A 11 -0.781 5.253 20.118 1.00 0.00 H new ATOM 53 N ILE A 12 -2.132 4.119 17.462 1.00 0.00 N ATOM 54 CA ILE A 12 -3.101 3.863 16.400 1.00 0.00 C ATOM 55 C ILE A 12 -2.734 4.639 15.146 1.00 0.00 C ATOM 56 O ILE A 12 -2.831 4.130 14.031 1.00 0.00 O ATOM 0 H ILE A 12 -2.529 4.566 18.288 1.00 0.00 H new ATOM 58 N THR A 13 -2.309 5.884 15.345 1.00 0.00 N ATOM 59 CA THR A 13 -1.919 6.760 14.244 1.00 0.00 C ATOM 60 C THR A 13 -0.693 6.209 13.534 1.00 0.00 C ATOM 61 O THR A 13 -0.561 6.317 12.316 1.00 0.00 O ATOM 0 H THR A 13 -2.226 6.312 16.267 1.00 0.00 H new ATOM 63 N ASP A 14 0.204 5.613 14.315 1.00 0.00 N ATOM 64 CA ASP A 14 1.435 5.032 13.787 1.00 0.00 C ATOM 65 C ASP A 14 1.164 3.657 13.198 1.00 0.00 C ATOM 66 O ASP A 14 1.317 3.438 11.997 1.00 0.00 O ATOM 0 H ASP A 14 0.099 5.519 15.325 1.00 0.00 H new ATOM 68 N GLY A 15 0.759 2.731 14.063 1.00 0.00 N ATOM 69 CA GLY A 15 0.458 1.361 13.655 1.00 0.00 C ATOM 70 C GLY A 15 -0.658 1.346 12.624 1.00 0.00 C ATOM 71 O GLY A 15 -0.441 1.022 11.457 1.00 0.00 O ATOM 0 H GLY A 15 0.631 2.907 15.060 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.351 0.894 13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.166 0.772 14.524 1.00 0.00 H new ATOM 73 N GLN A 16 -1.859 1.702 13.071 1.00 0.00 N ATOM 74 CA GLN A 16 -3.034 1.738 12.206 1.00 0.00 C ATOM 75 C GLN A 16 -2.869 2.798 11.128 1.00 0.00 C ATOM 76 O GLN A 16 -3.202 2.579 9.965 1.00 0.00 O ATOM 0 H GLN A 16 -2.045 1.972 14.037 1.00 0.00 H new ATOM 78 N GLY A 17 -2.349 3.953 11.534 1.00 0.00 N ATOM 79 CA GLY A 17 -2.127 5.071 10.621 1.00 0.00 C ATOM 80 C GLY A 17 -1.081 4.709 9.580 1.00 0.00 C ATOM 81 O GLY A 17 -1.279 4.912 8.383 1.00 0.00 O ATOM 0 H GLY A 17 -2.071 4.140 12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.062 5.337 10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.802 5.947 11.182 1.00 0.00 H new ATOM 83 N ASP A 18 0.038 4.167 10.053 1.00 0.00 N ATOM 84 CA ASP A 18 1.138 3.764 9.182 1.00 0.00 C ATOM 85 C ASP A 18 0.728 2.581 8.320 1.00 0.00 C ATOM 86 O ASP A 18 1.334 2.309 7.285 1.00 0.00 O ATOM 0 H ASP A 18 0.207 3.996 11.044 1.00 0.00 H new ATOM 88 N MET A 19 -0.312 1.881 8.762 1.00 0.00 N ATOM 89 CA MET A 19 -0.829 0.717 8.048 1.00 0.00 C ATOM 90 C MET A 19 -1.387 1.126 6.695 1.00 0.00 C ATOM 91 O MET A 19 -1.116 0.492 5.676 1.00 0.00 O ATOM 0 H MET A 19 -0.818 2.102 9.620 1.00 0.00 H new ATOM 93 N LYS A 20 -2.172 2.200 6.698 1.00 0.00 N ATOM 94 CA LYS A 20 -2.786 2.721 5.480 1.00 0.00 C ATOM 95 C LYS A 20 -1.719 3.129 4.478 1.00 0.00 C ATOM 96 O LYS A 20 -1.857 2.911 3.276 1.00 0.00 O ATOM 0 H LYS A 20 -2.399 2.731 7.539 1.00 0.00 H new ATOM 98 N ALA A 21 -0.647 3.727 4.992 1.00 0.00 N ATOM 99 CA ALA A 21 0.466 4.180 4.163 1.00 0.00 C ATOM 100 C ALA A 21 1.134 2.999 3.478 1.00 0.00 C ATOM 101 O ALA A 21 1.527 3.077 2.315 1.00 0.00 O ATOM 0 H ALA A 21 -0.526 3.910 5.988 1.00 0.00 H new ATOM 103 N ILE A 22 1.257 1.900 4.217 1.00 0.00 N ATOM 104 CA ILE A 22 1.876 0.681 3.704 1.00 0.00 C ATOM 105 C ILE A 22 1.031 0.082 2.591 1.00 0.00 C ATOM 106 O ILE A 22 1.551 -0.382 1.578 1.00 0.00 O ATOM 0 H ILE A 22 0.933 1.829 5.182 1.00 0.00 H new ATOM 108 N GLY A 23 -0.283 0.099 2.795 1.00 0.00 N ATOM 109 CA GLY A 23 -1.230 -0.437 1.821 1.00 0.00 C ATOM 110 C GLY A 23 -1.165 0.353 0.524 1.00 0.00 C ATOM 111 O GLY A 23 -1.239 -0.209 -0.567 1.00 0.00 O ATOM 0 H GLY A 23 -0.720 0.482 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.006 -1.486 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.241 -0.397 2.228 1.00 0.00 H new ATOM 113 N GLY A 24 -1.025 1.669 0.659 1.00 0.00 N ATOM 114 CA GLY A 24 -0.946 2.566 -0.490 1.00 0.00 C ATOM 115 C GLY A 24 0.384 2.399 -1.206 1.00 0.00 C ATOM 116 O GLY A 24 0.434 2.232 -2.424 1.00 0.00 O ATOM 0 H GLY A 24 -0.963 2.141 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.765 2.357 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.061 3.599 -0.161 1.00 0.00 H new ATOM 118 N TYR A 25 1.464 2.447 -0.431 1.00 0.00 N ATOM 119 CA TYR A 25 2.815 2.303 -0.966 1.00 0.00 C ATOM 120 C TYR A 25 2.963 0.973 -1.686 1.00 0.00 C ATOM 121 O TYR A 25 3.538 0.897 -2.771 1.00 0.00 O ATOM 0 H TYR A 25 1.429 2.586 0.579 1.00 0.00 H new ATOM 123 N ILE A 26 2.436 -0.079 -1.066 1.00 0.00 N ATOM 124 CA ILE A 26 2.494 -1.426 -1.626 1.00 0.00 C ATOM 125 C ILE A 26 1.743 -1.487 -2.946 1.00 0.00 C ATOM 126 O ILE A 26 2.209 -2.080 -3.917 1.00 0.00 O ATOM 0 H ILE A 26 1.959 -0.023 -0.166 1.00 0.00 H new ATOM 128 N VAL A 27 0.569 -0.862 -2.968 1.00 0.00 N ATOM 129 CA VAL A 27 -0.275 -0.828 -4.159 1.00 0.00 C ATOM 130 C VAL A 27 0.424 -0.084 -5.285 1.00 0.00 C ATOM 131 O VAL A 27 0.320 -0.455 -6.454 1.00 0.00 O ATOM 0 H VAL A 27 0.178 -0.368 -2.166 1.00 0.00 H new ATOM 133 N GLY A 28 1.141 0.974 -4.917 1.00 0.00 N ATOM 134 CA GLY A 28 1.873 1.793 -5.879 1.00 0.00 C ATOM 135 C GLY A 28 2.831 0.936 -6.689 1.00 0.00 C ATOM 136 O GLY A 28 2.924 1.065 -7.909 1.00 0.00 O ATOM 0 H GLY A 28 1.231 1.287 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.172 2.294 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.427 2.572 -5.355 1.00 0.00 H new ATOM 138 N ALA A 29 3.545 0.056 -5.992 1.00 0.00 N ATOM 139 CA ALA A 29 4.509 -0.841 -6.623 1.00 0.00 C ATOM 140 C ALA A 29 3.797 -1.851 -7.508 1.00 0.00 C ATOM 141 O ALA A 29 4.261 -2.182 -8.597 1.00 0.00 O ATOM 0 H ALA A 29 3.473 -0.055 -4.981 1.00 0.00 H new ATOM 143 N LEU A 30 2.658 -2.338 -7.022 1.00 0.00 N ATOM 144 CA LEU A 30 1.855 -3.316 -7.750 1.00 0.00 C ATOM 145 C LEU A 30 1.405 -2.748 -9.086 1.00 0.00 C ATOM 146 O LEU A 30 1.395 -3.442 -10.101 1.00 0.00 O ATOM 0 H LEU A 30 2.268 -2.068 -6.119 1.00 0.00 H new ATOM 148 N VAL A 31 1.033 -1.471 -9.071 1.00 0.00 N ATOM 149 CA VAL A 31 0.575 -0.779 -10.272 1.00 0.00 C ATOM 150 C VAL A 31 1.695 -0.690 -11.296 1.00 0.00 C ATOM 151 O VAL A 31 1.477 -0.863 -12.494 1.00 0.00 O ATOM 0 H VAL A 31 1.040 -0.890 -8.232 1.00 0.00 H new ATOM 153 N ILE A 32 2.901 -0.418 -10.805 1.00 0.00 N ATOM 154 CA ILE A 32 4.081 -0.300 -11.657 1.00 0.00 C ATOM 155 C ILE A 32 4.374 -1.622 -12.347 1.00 0.00 C ATOM 156 O ILE A 32 4.689 -1.664 -13.535 1.00 0.00 O ATOM 0 H ILE A 32 3.088 -0.274 -9.813 1.00 0.00 H new ATOM 158 N LEU A 33 4.267 -2.705 -11.582 1.00 0.00 N ATOM 159 CA LEU A 33 4.516 -4.049 -12.094 1.00 0.00 C ATOM 160 C LEU A 33 3.507 -4.403 -13.174 1.00 0.00 C ATOM 161 O LEU A 33 3.860 -4.932 -14.227 1.00 0.00 O ATOM 0 H LEU A 33 4.007 -2.676 -10.596 1.00 0.00 H new ATOM 163 N ALA A 34 2.241 -4.103 -12.897 1.00 0.00 N ATOM 164 CA ALA A 34 1.152 -4.379 -13.830 1.00 0.00 C ATOM 165 C ALA A 34 1.434 -3.742 -15.181 1.00 0.00 C ATOM 166 O ALA A 34 1.008 -4.242 -16.221 1.00 0.00 O ATOM 0 H ALA A 34 1.942 -3.665 -12.026 1.00 0.00 H new ATOM 168 N VAL A 35 2.161 -2.629 -15.151 1.00 0.00 N ATOM 169 CA VAL A 35 2.519 -1.898 -16.363 1.00 0.00 C ATOM 170 C VAL A 35 3.294 -2.793 -17.316 1.00 0.00 C ATOM 171 O VAL A 35 3.187 -2.669 -18.535 1.00 0.00 O ATOM 0 H VAL A 35 2.517 -2.210 -14.292 1.00 0.00 H new ATOM 173 N ALA A 36 4.079 -3.700 -16.742 1.00 0.00 N ATOM 174 CA ALA A 36 4.889 -4.634 -17.518 1.00 0.00 C ATOM 175 C ALA A 36 4.001 -5.629 -18.247 1.00 0.00 C ATOM 176 O ALA A 36 4.252 -5.981 -19.399 1.00 0.00 O ATOM 0 H ALA A 36 4.172 -3.808 -15.732 1.00 0.00 H new ATOM 178 N GLY A 37 2.956 -6.080 -17.558 1.00 0.00 N ATOM 179 CA GLY A 37 2.009 -7.040 -18.116 1.00 0.00 C ATOM 180 C GLY A 37 1.460 -6.536 -19.441 1.00 0.00 C ATOM 181 O GLY A 37 1.455 -7.252 -20.441 1.00 0.00 O ATOM 0 H GLY A 37 2.743 -5.792 -16.603 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.500 -8.002 -18.261 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.191 -7.203 -17.415 1.00 0.00 H new ATOM 183 N LEU A 38 0.996 -5.290 -19.435 1.00 0.00 N ATOM 184 CA LEU A 38 0.435 -4.659 -20.626 1.00 0.00 C ATOM 185 C LEU A 38 1.502 -4.504 -21.698 1.00 0.00 C ATOM 186 O LEU A 38 1.278 -4.811 -22.868 1.00 0.00 O ATOM 0 H LEU A 38 0.998 -4.691 -18.609 1.00 0.00 H new ATOM 188 N ILE A 39 2.670 -4.022 -21.281 1.00 0.00 N ATOM 189 CA ILE A 39 3.796 -3.814 -22.186 1.00 0.00 C ATOM 190 C ILE A 39 4.136 -5.102 -22.918 1.00 0.00 C ATOM 191 O ILE A 39 4.317 -5.114 -24.135 1.00 0.00 O ATOM 0 H ILE A 39 2.862 -3.766 -20.312 1.00 0.00 H new ATOM 193 N TYR A 40 4.220 -6.190 -22.158 1.00 0.00 N ATOM 194 CA TYR A 40 4.538 -7.504 -22.709 1.00 0.00 C ATOM 195 C TYR A 40 3.439 -7.966 -23.652 1.00 0.00 C ATOM 196 O TYR A 40 3.707 -8.478 -24.738 1.00 0.00 O ATOM 0 H TYR A 40 4.071 -6.187 -21.149 1.00 0.00 H new ATOM 198 N SER A 41 2.195 -7.777 -23.222 1.00 0.00 N ATOM 199 CA SER A 41 1.030 -8.166 -24.010 1.00 0.00 C ATOM 200 C SER A 41 1.018 -7.432 -25.341 1.00 0.00 C ATOM 201 O SER A 41 0.680 -8.001 -26.378 1.00 0.00 O ATOM 0 H SER A 41 1.967 -7.353 -22.323 1.00 0.00 H new ATOM 203 N MET A 42 1.393 -6.157 -25.297 1.00 0.00 N ATOM 204 CA MET A 42 1.436 -5.316 -26.490 1.00 0.00 C ATOM 205 C MET A 42 2.534 -5.783 -27.432 1.00 0.00 C ATOM 206 O MET A 42 2.352 -5.829 -28.647 1.00 0.00 O ATOM 0 H MET A 42 1.674 -5.680 -24.440 1.00 0.00 H new ATOM 208 N LEU A 43 3.680 -6.129 -26.852 1.00 0.00 N ATOM 209 CA LEU A 43 4.831 -6.598 -27.618 1.00 0.00 C ATOM 210 C LEU A 43 4.605 -8.022 -28.100 1.00 0.00 C ATOM 211 O LEU A 43 5.046 -8.404 -29.182 1.00 0.00 O ATOM 0 H LEU A 43 3.837 -6.093 -25.845 1.00 0.00 H new ATOM 213 N ARG A 44 3.908 -8.803 -27.279 1.00 0.00 N ATOM 214 CA ARG A 44 3.605 -10.195 -27.597 1.00 0.00 C ATOM 215 C ARG A 44 2.442 -10.278 -28.571 1.00 0.00 C ATOM 216 O ARG A 44 2.278 -11.267 -29.284 1.00 0.00 O ATOM 0 H ARG A 44 3.540 -8.491 -26.380 1.00 0.00 H new ATOM 218 N LYS A 45 1.633 -9.222 -28.592 1.00 0.00 N ATOM 219 CA LYS A 45 0.471 -9.147 -29.472 1.00 0.00 C ATOM 220 C LYS A 45 0.747 -8.214 -30.640 1.00 0.00 C ATOM 221 O LYS A 45 0.247 -8.415 -31.746 1.00 0.00 O ATOM 0 H LYS A 45 1.763 -8.399 -28.003 1.00 0.00 H new ATOM 223 N ALA A 46 1.552 -7.189 -30.379 1.00 0.00 N ATOM 224 CA ALA A 46 1.915 -6.204 -31.393 1.00 0.00 C ATOM 0 H ALA A 46 1.969 -7.018 -29.464 1.00 0.00 H new