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 -7.468 -2.128 60.879 1.00 0.00 C ATOM 2 C GLY A 1 -8.656 -1.186 60.766 1.00 0.00 C ATOM 3 N VAL A 2 -9.689 -1.466 61.556 1.00 0.00 N ATOM 4 CA VAL A 2 -10.905 -0.658 61.567 1.00 0.00 C ATOM 5 C VAL A 2 -10.584 0.781 61.936 1.00 0.00 C ATOM 6 O VAL A 2 -10.995 1.720 61.255 1.00 0.00 O ATOM 0 H VAL A 2 -9.707 -2.254 62.203 1.00 0.00 H new ATOM 8 N ILE A 3 -9.840 0.943 63.027 1.00 0.00 N ATOM 9 CA ILE A 3 -9.445 2.261 63.514 1.00 0.00 C ATOM 10 C ILE A 3 -8.490 2.926 62.536 1.00 0.00 C ATOM 11 O ILE A 3 -8.450 4.150 62.418 1.00 0.00 O ATOM 0 H ILE A 3 -9.496 0.169 63.595 1.00 0.00 H new ATOM 13 N ASP A 4 -7.719 2.100 61.835 1.00 0.00 N ATOM 14 CA ASP A 4 -6.749 2.581 60.855 1.00 0.00 C ATOM 15 C ASP A 4 -7.428 3.473 59.828 1.00 0.00 C ATOM 16 O ASP A 4 -6.972 4.580 59.547 1.00 0.00 O ATOM 0 H ASP A 4 -7.748 1.085 61.929 1.00 0.00 H new ATOM 18 N THR A 5 -8.528 2.975 59.271 1.00 0.00 N ATOM 19 CA THR A 5 -9.295 3.707 58.268 1.00 0.00 C ATOM 20 C THR A 5 -8.655 5.058 57.990 1.00 0.00 C ATOM 21 O THR A 5 -8.474 5.451 56.839 1.00 0.00 O ATOM 0 H THR A 5 -8.911 2.058 59.500 1.00 0.00 H new ATOM 23 N SER A 6 -8.315 5.764 59.064 1.00 0.00 N ATOM 24 CA SER A 6 -7.690 7.080 58.967 1.00 0.00 C ATOM 25 C SER A 6 -6.377 6.992 58.207 1.00 0.00 C ATOM 26 O SER A 6 -6.260 7.474 57.081 1.00 0.00 O ATOM 0 H SER A 6 -8.464 5.443 60.021 1.00 0.00 H new ATOM 28 N ALA A 7 -5.388 6.366 58.839 1.00 0.00 N ATOM 29 CA ALA A 7 -4.066 6.198 58.243 1.00 0.00 C ATOM 30 C ALA A 7 -4.137 5.270 57.042 1.00 0.00 C ATOM 31 O ALA A 7 -3.360 5.393 56.096 1.00 0.00 O ATOM 0 H ALA A 7 -5.479 5.964 59.772 1.00 0.00 H new ATOM 33 N VAL A 8 -5.083 4.336 57.092 1.00 0.00 N ATOM 34 CA VAL A 8 -5.281 3.368 56.017 1.00 0.00 C ATOM 35 C VAL A 8 -5.575 4.081 54.707 1.00 0.00 C ATOM 36 O VAL A 8 -5.052 3.718 53.654 1.00 0.00 O ATOM 0 H VAL A 8 -5.730 4.229 57.873 1.00 0.00 H new ATOM 38 N GLU A 9 -6.422 5.103 54.786 1.00 0.00 N ATOM 39 CA GLU A 9 -6.807 5.889 53.617 1.00 0.00 C ATOM 40 C GLU A 9 -5.579 6.281 52.811 1.00 0.00 C ATOM 41 O GLU A 9 -5.555 6.157 51.588 1.00 0.00 O ATOM 0 H GLU A 9 -6.859 5.409 55.656 1.00 0.00 H new ATOM 43 N SER A 10 -4.557 6.758 53.516 1.00 0.00 N ATOM 44 CA SER A 10 -3.306 7.178 52.891 1.00 0.00 C ATOM 45 C SER A 10 -2.697 6.034 52.098 1.00 0.00 C ATOM 46 O SER A 10 -2.274 6.206 50.956 1.00 0.00 O ATOM 0 H SER A 10 -4.572 6.864 54.530 1.00 0.00 H new ATOM 48 N ALA A 11 -2.658 4.859 52.721 1.00 0.00 N ATOM 49 CA ALA A 11 -2.103 3.662 52.095 1.00 0.00 C ATOM 50 C ALA A 11 -2.944 3.250 50.897 1.00 0.00 C ATOM 51 O ALA A 11 -2.426 2.754 49.898 1.00 0.00 O ATOM 0 H ALA A 11 -3.008 4.710 53.668 1.00 0.00 H new ATOM 53 N ILE A 12 -4.251 3.463 51.012 1.00 0.00 N ATOM 54 CA ILE A 12 -5.194 3.122 49.950 1.00 0.00 C ATOM 55 C ILE A 12 -4.897 3.928 48.696 1.00 0.00 C ATOM 56 O ILE A 12 -4.948 3.412 47.581 1.00 0.00 O ATOM 0 H ILE A 12 -4.685 3.874 51.838 1.00 0.00 H new ATOM 58 N THR A 13 -4.584 5.205 48.895 1.00 0.00 N ATOM 59 CA THR A 13 -4.272 6.112 47.794 1.00 0.00 C ATOM 60 C THR A 13 -3.002 5.671 47.084 1.00 0.00 C ATOM 61 O THR A 13 -2.880 5.791 45.866 1.00 0.00 O ATOM 0 H THR A 13 -4.539 5.638 49.817 1.00 0.00 H new ATOM 63 N ASP A 14 -2.056 5.157 47.865 1.00 0.00 N ATOM 64 CA ASP A 14 -0.779 4.687 47.337 1.00 0.00 C ATOM 65 C ASP A 14 -0.927 3.293 46.748 1.00 0.00 C ATOM 66 O ASP A 14 -0.756 3.088 45.547 1.00 0.00 O ATOM 0 H ASP A 14 -2.152 5.055 48.875 1.00 0.00 H new ATOM 68 N GLY A 15 -1.249 2.335 47.613 1.00 0.00 N ATOM 69 CA GLY A 15 -1.427 0.945 47.205 1.00 0.00 C ATOM 70 C GLY A 15 -2.538 0.831 46.174 1.00 0.00 C ATOM 71 O GLY A 15 -2.294 0.527 45.007 1.00 0.00 O ATOM 0 H GLY A 15 -1.393 2.499 48.609 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.496 0.560 46.789 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.665 0.332 48.074 1.00 0.00 H new ATOM 73 N GLN A 16 -3.766 1.079 46.621 1.00 0.00 N ATOM 74 CA GLN A 16 -4.940 1.011 45.756 1.00 0.00 C ATOM 75 C GLN A 16 -4.869 2.082 44.678 1.00 0.00 C ATOM 76 O GLN A 16 -5.181 1.834 43.515 1.00 0.00 O ATOM 0 H GLN A 16 -3.975 1.331 47.587 1.00 0.00 H new ATOM 78 N GLY A 17 -4.453 3.278 45.084 1.00 0.00 N ATOM 79 CA GLY A 17 -4.330 4.412 44.171 1.00 0.00 C ATOM 80 C GLY A 17 -3.257 4.143 43.130 1.00 0.00 C ATOM 81 O GLY A 17 -3.471 4.328 41.933 1.00 0.00 O ATOM 0 H GLY A 17 -4.193 3.489 46.048 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.285 4.595 43.679 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.083 5.313 44.732 1.00 0.00 H new ATOM 83 N ASP A 18 -2.094 3.702 43.603 1.00 0.00 N ATOM 84 CA ASP A 18 -0.963 3.398 42.732 1.00 0.00 C ATOM 85 C ASP A 18 -1.266 2.183 41.870 1.00 0.00 C ATOM 86 O ASP A 18 -0.638 1.965 40.835 1.00 0.00 O ATOM 0 H ASP A 18 -1.910 3.546 44.594 1.00 0.00 H new ATOM 88 N MET A 19 -2.241 1.394 42.312 1.00 0.00 N ATOM 89 CA MET A 19 -2.653 0.189 41.598 1.00 0.00 C ATOM 90 C MET A 19 -3.245 0.547 40.245 1.00 0.00 C ATOM 91 O MET A 19 -2.919 -0.061 39.226 1.00 0.00 O ATOM 0 H MET A 19 -2.765 1.570 43.169 1.00 0.00 H new ATOM 93 N LYS A 20 -4.122 1.547 40.248 1.00 0.00 N ATOM 94 CA LYS A 20 -4.780 2.012 39.030 1.00 0.00 C ATOM 95 C LYS A 20 -3.752 2.513 38.028 1.00 0.00 C ATOM 96 O LYS A 20 -3.871 2.283 36.826 1.00 0.00 O ATOM 0 H LYS A 20 -4.396 2.055 41.089 1.00 0.00 H new ATOM 98 N ALA A 21 -2.738 3.203 38.542 1.00 0.00 N ATOM 99 CA ALA A 21 -1.669 3.753 37.713 1.00 0.00 C ATOM 100 C ALA A 21 -0.899 2.635 37.028 1.00 0.00 C ATOM 101 O ALA A 21 -0.515 2.748 35.865 1.00 0.00 O ATOM 0 H ALA A 21 -2.634 3.396 39.538 1.00 0.00 H new ATOM 103 N ILE A 22 -0.680 1.551 37.767 1.00 0.00 N ATOM 104 CA ILE A 22 0.044 0.392 37.254 1.00 0.00 C ATOM 105 C ILE A 22 -0.744 -0.279 36.141 1.00 0.00 C ATOM 106 O ILE A 22 -0.186 -0.695 35.128 1.00 0.00 O ATOM 0 H ILE A 22 -0.997 1.451 38.731 1.00 0.00 H new ATOM 108 N GLY A 23 -2.055 -0.378 36.345 1.00 0.00 N ATOM 109 CA GLY A 23 -2.951 -0.996 35.371 1.00 0.00 C ATOM 110 C GLY A 23 -2.956 -0.203 34.074 1.00 0.00 C ATOM 111 O GLY A 23 -2.980 -0.770 32.983 1.00 0.00 O ATOM 0 H GLY A 23 -2.524 -0.035 37.183 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.635 -2.021 35.176 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.961 -1.046 35.778 1.00 0.00 H new ATOM 113 N GLY A 24 -2.932 1.120 34.209 1.00 0.00 N ATOM 114 CA GLY A 24 -2.933 2.021 33.060 1.00 0.00 C ATOM 115 C GLY A 24 -1.593 1.972 32.344 1.00 0.00 C ATOM 116 O GLY A 24 -1.528 1.810 31.126 1.00 0.00 O ATOM 0 H GLY A 24 -2.911 1.595 35.111 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.730 1.741 32.372 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.139 3.039 33.389 1.00 0.00 H new ATOM 118 N TYR A 25 -0.522 2.114 33.119 1.00 0.00 N ATOM 119 CA TYR A 25 0.837 2.090 32.584 1.00 0.00 C ATOM 120 C TYR A 25 1.102 0.778 31.864 1.00 0.00 C ATOM 121 O TYR A 25 1.681 0.754 30.779 1.00 0.00 O ATOM 0 H TYR A 25 -0.570 2.248 34.129 1.00 0.00 H new ATOM 123 N ILE A 26 0.669 -0.316 32.484 1.00 0.00 N ATOM 124 CA ILE A 26 0.847 -1.652 31.924 1.00 0.00 C ATOM 125 C ILE A 26 0.103 -1.779 30.604 1.00 0.00 C ATOM 126 O ILE A 26 0.620 -2.329 29.633 1.00 0.00 O ATOM 0 H ILE A 26 0.188 -0.302 33.383 1.00 0.00 H new ATOM 128 N VAL A 27 -1.121 -1.261 30.582 1.00 0.00 N ATOM 129 CA VAL A 27 -1.964 -1.301 29.391 1.00 0.00 C ATOM 130 C VAL A 27 -1.334 -0.499 28.265 1.00 0.00 C ATOM 131 O VAL A 27 -1.405 -0.877 27.096 1.00 0.00 O ATOM 0 H VAL A 27 -1.555 -0.804 31.384 1.00 0.00 H new ATOM 133 N GLY A 28 -0.713 0.618 28.633 1.00 0.00 N ATOM 134 CA GLY A 28 -0.057 1.500 27.671 1.00 0.00 C ATOM 135 C GLY A 28 0.973 0.730 26.861 1.00 0.00 C ATOM 136 O GLY A 28 1.054 0.866 25.641 1.00 0.00 O ATOM 0 H GLY A 28 -0.650 0.936 29.600 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.800 1.938 27.004 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.426 2.325 28.195 1.00 0.00 H new ATOM 138 N ALA A 29 1.762 -0.083 27.558 1.00 0.00 N ATOM 139 CA ALA A 29 2.802 -0.891 26.927 1.00 0.00 C ATOM 140 C ALA A 29 2.181 -1.960 26.042 1.00 0.00 C ATOM 141 O ALA A 29 2.674 -2.249 24.953 1.00 0.00 O ATOM 0 H ALA A 29 1.700 -0.200 28.569 1.00 0.00 H new ATOM 143 N LEU A 30 1.090 -2.546 26.528 1.00 0.00 N ATOM 144 CA LEU A 30 0.377 -3.592 25.800 1.00 0.00 C ATOM 145 C LEU A 30 -0.121 -3.065 24.464 1.00 0.00 C ATOM 146 O LEU A 30 -0.071 -3.758 23.449 1.00 0.00 O ATOM 0 H LEU A 30 0.678 -2.312 27.431 1.00 0.00 H new ATOM 148 N VAL A 31 -0.605 -1.827 24.479 1.00 0.00 N ATOM 149 CA VAL A 31 -1.123 -1.177 23.278 1.00 0.00 C ATOM 150 C VAL A 31 -0.015 -0.990 22.254 1.00 0.00 C ATOM 151 O VAL A 31 -0.216 -1.181 21.056 1.00 0.00 O ATOM 0 H VAL A 31 -0.650 -1.248 25.318 1.00 0.00 H new ATOM 153 N ILE A 32 1.163 -0.612 22.745 1.00 0.00 N ATOM 154 CA ILE A 32 2.328 -0.390 21.893 1.00 0.00 C ATOM 155 C ILE A 32 2.737 -1.682 21.203 1.00 0.00 C ATOM 156 O ILE A 32 3.054 -1.696 20.015 1.00 0.00 O ATOM 0 H ILE A 32 1.336 -0.452 23.737 1.00 0.00 H new ATOM 158 N LEU A 33 2.725 -2.770 21.968 1.00 0.00 N ATOM 159 CA LEU A 33 3.092 -4.087 21.456 1.00 0.00 C ATOM 160 C LEU A 33 2.118 -4.528 20.376 1.00 0.00 C ATOM 161 O LEU A 33 2.516 -5.024 19.323 1.00 0.00 O ATOM 0 H LEU A 33 2.463 -2.764 22.954 1.00 0.00 H new ATOM 163 N ALA A 34 0.830 -4.341 20.653 1.00 0.00 N ATOM 164 CA ALA A 34 -0.230 -4.712 19.720 1.00 0.00 C ATOM 165 C ALA A 34 -0.005 -4.053 18.369 1.00 0.00 C ATOM 166 O ALA A 34 -0.385 -4.588 17.329 1.00 0.00 O ATOM 0 H ALA A 34 0.493 -3.931 21.524 1.00 0.00 H new ATOM 168 N VAL A 35 0.621 -2.880 18.399 1.00 0.00 N ATOM 169 CA VAL A 35 0.912 -2.120 17.187 1.00 0.00 C ATOM 170 C VAL A 35 1.764 -2.943 16.234 1.00 0.00 C ATOM 171 O VAL A 35 1.646 -2.829 15.015 1.00 0.00 O ATOM 0 H VAL A 35 0.939 -2.432 19.258 1.00 0.00 H new ATOM 173 N ALA A 36 2.626 -3.777 16.808 1.00 0.00 N ATOM 174 CA ALA A 36 3.515 -4.637 16.032 1.00 0.00 C ATOM 175 C ALA A 36 2.719 -5.706 15.303 1.00 0.00 C ATOM 176 O ALA A 36 2.999 -6.034 14.151 1.00 0.00 O ATOM 0 H ALA A 36 2.728 -3.876 17.818 1.00 0.00 H new ATOM 178 N GLY A 37 1.718 -6.247 15.992 1.00 0.00 N ATOM 179 CA GLY A 37 0.859 -7.287 15.434 1.00 0.00 C ATOM 180 C GLY A 37 0.267 -6.834 14.109 1.00 0.00 C ATOM 181 O GLY A 37 0.325 -7.548 13.109 1.00 0.00 O ATOM 0 H GLY A 37 1.480 -5.979 16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.433 -8.202 15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.058 -7.521 16.136 1.00 0.00 H new ATOM 183 N LEU A 38 -0.305 -5.633 14.115 1.00 0.00 N ATOM 184 CA LEU A 38 -0.919 -5.055 12.924 1.00 0.00 C ATOM 185 C LEU A 38 0.130 -4.806 11.852 1.00 0.00 C ATOM 186 O LEU A 38 -0.066 -5.131 10.682 1.00 0.00 O ATOM 0 H LEU A 38 -0.356 -5.036 14.941 1.00 0.00 H new ATOM 188 N ILE A 39 1.250 -4.223 12.269 1.00 0.00 N ATOM 189 CA ILE A 39 2.354 -3.916 11.364 1.00 0.00 C ATOM 190 C ILE A 39 2.806 -5.169 10.632 1.00 0.00 C ATOM 191 O ILE A 39 2.987 -5.165 9.415 1.00 0.00 O ATOM 0 H ILE A 39 1.418 -3.951 13.238 1.00 0.00 H new ATOM 193 N TYR A 40 2.986 -6.245 11.392 1.00 0.00 N ATOM 194 CA TYR A 40 3.419 -7.526 10.841 1.00 0.00 C ATOM 195 C TYR A 40 2.365 -8.083 9.898 1.00 0.00 C ATOM 196 O TYR A 40 2.677 -8.570 8.812 1.00 0.00 O ATOM 0 H TYR A 40 2.837 -6.255 12.401 1.00 0.00 H new ATOM 198 N SER A 41 1.109 -8.005 10.328 1.00 0.00 N ATOM 199 CA SER A 41 -0.017 -8.496 9.540 1.00 0.00 C ATOM 200 C SER A 41 -0.094 -7.766 8.209 1.00 0.00 C ATOM 201 O SER A 41 -0.380 -8.362 7.172 1.00 0.00 O ATOM 0 H SER A 41 0.844 -7.602 11.227 1.00 0.00 H new ATOM 203 N MET A 42 0.168 -6.462 8.253 1.00 0.00 N ATOM 204 CA MET A 42 0.136 -5.620 7.060 1.00 0.00 C ATOM 205 C MET A 42 1.271 -5.988 6.118 1.00 0.00 C ATOM 206 O MET A 42 1.094 -6.051 4.903 1.00 0.00 O ATOM 0 H MET A 42 0.407 -5.962 9.110 1.00 0.00 H new ATOM 208 N LEU A 43 2.443 -6.232 6.698 1.00 0.00 N ATOM 209 CA LEU A 43 3.631 -6.598 5.932 1.00 0.00 C ATOM 210 C LEU A 43 3.531 -8.036 5.450 1.00 0.00 C ATOM 211 O LEU A 43 4.004 -8.378 4.368 1.00 0.00 O ATOM 0 H LEU A 43 2.596 -6.182 7.705 1.00 0.00 H new ATOM 213 N ARG A 44 2.906 -8.875 6.271 1.00 0.00 N ATOM 214 CA ARG A 44 2.728 -10.289 5.953 1.00 0.00 C ATOM 215 C ARG A 44 1.576 -10.474 4.979 1.00 0.00 C ATOM 216 O ARG A 44 1.500 -11.474 4.266 1.00 0.00 O ATOM 0 H ARG A 44 2.511 -8.597 7.169 1.00 0.00 H new ATOM 218 N LYS A 45 0.677 -9.494 4.958 1.00 0.00 N ATOM 219 CA LYS A 45 -0.488 -9.521 4.078 1.00 0.00 C ATOM 220 C LYS A 45 -0.295 -8.568 2.910 1.00 0.00 C ATOM 221 O LYS A 45 -0.775 -8.812 1.804 1.00 0.00 O ATOM 0 H LYS A 45 0.734 -8.663 5.547 1.00 0.00 H new ATOM 223 N ALA A 46 0.417 -7.476 3.171 1.00 0.00 N ATOM 224 CA ALA A 46 0.692 -6.462 2.157 1.00 0.00 C ATOM 0 H ALA A 46 0.818 -7.269 4.086 1.00 0.00 H new