USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 117 hydrogens (0 hets) ATOM 13 N PRO A 2 4.002 -1.289 -1.872 1.00 11.35 N ATOM 14 CA PRO A 2 5.432 -1.536 -1.664 1.00 12.34 C ATOM 15 C PRO A 2 6.252 -0.251 -1.693 1.00 44.22 C ATOM 16 O PRO A 2 7.382 -0.213 -1.204 1.00 73.14 O ATOM 17 CB PRO A 2 5.810 -2.439 -2.840 1.00 24.22 C ATOM 18 CG PRO A 2 4.811 -2.122 -3.898 1.00 33.41 C ATOM 19 CD PRO A 2 3.535 -1.789 -3.175 1.00 52.55 C ATOM 0 HA PRO A 2 5.632 -1.978 -0.688 1.00 12.34 H new ATOM 0 HB2 PRO A 2 6.826 -2.239 -3.182 1.00 24.22 H new ATOM 0 HB3 PRO A 2 5.769 -3.492 -2.560 1.00 24.22 H new ATOM 0 HG2 PRO A 2 5.143 -1.283 -4.510 1.00 33.41 H new ATOM 0 HG3 PRO A 2 4.670 -2.970 -4.568 1.00 33.41 H new ATOM 0 HD2 PRO A 2 2.955 -1.037 -3.710 1.00 52.55 H new ATOM 0 HD3 PRO A 2 2.896 -2.665 -3.064 1.00 52.55 H new ATOM 27 N ARG A 3 5.677 0.800 -2.269 1.00 64.10 N ATOM 28 CA ARG A 3 6.357 2.087 -2.363 1.00 34.44 C ATOM 29 C ARG A 3 6.052 2.952 -1.143 1.00 50.14 C ATOM 30 O ARG A 3 6.592 4.049 -0.998 1.00 43.02 O ATOM 31 CB ARG A 3 5.936 2.818 -3.639 1.00 34.14 C ATOM 32 CG ARG A 3 6.248 2.049 -4.912 1.00 53.33 C ATOM 33 CD ARG A 3 6.672 2.982 -6.036 1.00 2.02 C ATOM 34 NE ARG A 3 7.942 3.643 -5.748 1.00 65.32 N ATOM 35 CZ ARG A 3 8.664 4.279 -6.664 1.00 71.14 C ATOM 36 NH1 ARG A 3 8.242 4.340 -7.920 1.00 10.52 N ATOM 37 NH2 ARG A 3 9.810 4.856 -6.325 1.00 72.33 N ATOM 0 H ARG A 3 4.742 0.786 -2.677 1.00 64.10 H new ATOM 0 HA ARG A 3 7.431 1.902 -2.397 1.00 34.44 H new ATOM 0 HB2 ARG A 3 4.865 3.016 -3.598 1.00 34.14 H new ATOM 0 HB3 ARG A 3 6.438 3.785 -3.676 1.00 34.14 H new ATOM 0 HG2 ARG A 3 7.042 1.328 -4.717 1.00 53.33 H new ATOM 0 HG3 ARG A 3 5.370 1.482 -5.220 1.00 53.33 H new ATOM 0 HD2 ARG A 3 6.760 2.416 -6.963 1.00 2.02 H new ATOM 0 HD3 ARG A 3 5.899 3.734 -6.194 1.00 2.02 H new ATOM 0 HE ARG A 3 8.294 3.615 -4.791 1.00 65.32 H new ATOM 0 HH11 ARG A 3 7.361 3.898 -8.184 1.00 10.52 H new ATOM 0 HH12 ARG A 3 8.798 4.829 -8.622 1.00 10.52 H new ATOM 0 HH21 ARG A 3 10.138 4.811 -5.360 1.00 72.33 H new ATOM 0 HH22 ARG A 3 10.363 5.344 -7.029 1.00 72.33 H new ATOM 51 N ILE A 4 5.184 2.452 -0.271 1.00 74.41 N ATOM 52 CA ILE A 4 4.808 3.179 0.935 1.00 20.20 C ATOM 53 C ILE A 4 5.571 2.660 2.149 1.00 14.25 C ATOM 54 O ILE A 4 5.774 3.385 3.123 1.00 22.21 O ATOM 55 CB ILE A 4 3.296 3.073 1.209 1.00 61.44 C ATOM 56 CG1 ILE A 4 2.504 3.734 0.079 1.00 13.22 C ATOM 57 CG2 ILE A 4 2.954 3.710 2.547 1.00 70.10 C ATOM 58 CD1 ILE A 4 1.006 3.573 0.217 1.00 10.00 C ATOM 0 H ILE A 4 4.728 1.546 -0.377 1.00 74.41 H new ATOM 0 HA ILE A 4 5.065 4.225 0.766 1.00 20.20 H new ATOM 0 HB ILE A 4 3.022 2.019 1.251 1.00 61.44 H new ATOM 0 HG12 ILE A 4 2.746 4.796 0.050 1.00 13.22 H new ATOM 0 HG13 ILE A 4 2.821 3.309 -0.873 1.00 13.22 H new ATOM 0 HG21 ILE A 4 1.882 3.627 2.726 1.00 70.10 H new ATOM 0 HG22 ILE A 4 3.496 3.198 3.343 1.00 70.10 H new ATOM 0 HG23 ILE A 4 3.239 4.762 2.533 1.00 70.10 H new ATOM 0 HD11 ILE A 4 0.509 4.066 -0.618 1.00 10.00 H new ATOM 0 HD12 ILE A 4 0.752 2.513 0.216 1.00 10.00 H new ATOM 0 HD13 ILE A 4 0.676 4.024 1.153 1.00 10.00 H new ATOM 70 N ALA A 5 5.992 1.401 2.084 1.00 54.43 N ATOM 71 CA ALA A 5 6.736 0.787 3.176 1.00 35.41 C ATOM 72 C ALA A 5 8.218 1.134 3.094 1.00 22.52 C ATOM 73 O ALA A 5 8.900 1.230 4.114 1.00 30.21 O ATOM 74 CB ALA A 5 6.543 -0.723 3.162 1.00 41.40 C ATOM 0 H ALA A 5 5.830 0.787 1.286 1.00 54.43 H new ATOM 0 HA ALA A 5 6.349 1.183 4.115 1.00 35.41 H new ATOM 0 HB1 ALA A 5 7.104 -1.169 3.983 1.00 41.40 H new ATOM 0 HB2 ALA A 5 5.484 -0.956 3.278 1.00 41.40 H new ATOM 0 HB3 ALA A 5 6.902 -1.127 2.215 1.00 41.40 H new ATOM 80 N ALA A 6 8.711 1.319 1.874 1.00 1.51 N ATOM 81 CA ALA A 6 10.113 1.657 1.660 1.00 72.13 C ATOM 82 C ALA A 6 10.490 2.933 2.404 1.00 41.53 C ATOM 83 O ALA A 6 11.657 3.152 2.728 1.00 5.10 O ATOM 84 CB ALA A 6 10.398 1.806 0.173 1.00 43.43 C ATOM 0 H ALA A 6 8.161 1.241 1.019 1.00 1.51 H new ATOM 0 HA ALA A 6 10.722 0.844 2.056 1.00 72.13 H new ATOM 0 HB1 ALA A 6 11.448 2.058 0.027 1.00 43.43 H new ATOM 0 HB2 ALA A 6 10.176 0.868 -0.336 1.00 43.43 H new ATOM 0 HB3 ALA A 6 9.774 2.599 -0.239 1.00 43.43 H new ATOM 90 N ARG A 7 9.495 3.773 2.670 1.00 4.53 N ATOM 91 CA ARG A 7 9.724 5.029 3.374 1.00 11.54 C ATOM 92 C ARG A 7 9.461 4.870 4.869 1.00 1.50 C ATOM 93 O ARG A 7 9.999 5.616 5.687 1.00 72.30 O ATOM 94 CB ARG A 7 8.828 6.130 2.802 1.00 22.34 C ATOM 95 CG ARG A 7 9.600 7.300 2.215 1.00 23.03 C ATOM 96 CD ARG A 7 8.833 8.604 2.364 1.00 52.43 C ATOM 97 NE ARG A 7 8.630 9.269 1.079 1.00 3.43 N ATOM 98 CZ ARG A 7 8.334 10.559 0.958 1.00 71.40 C ATOM 99 NH1 ARG A 7 8.207 11.317 2.038 1.00 53.53 N ATOM 100 NH2 ARG A 7 8.165 11.091 -0.245 1.00 53.35 N ATOM 0 H ARG A 7 8.523 3.607 2.409 1.00 4.53 H new ATOM 0 HA ARG A 7 10.768 5.310 3.234 1.00 11.54 H new ATOM 0 HB2 ARG A 7 8.190 5.702 2.029 1.00 22.34 H new ATOM 0 HB3 ARG A 7 8.171 6.498 3.590 1.00 22.34 H new ATOM 0 HG2 ARG A 7 10.566 7.386 2.712 1.00 23.03 H new ATOM 0 HG3 ARG A 7 9.800 7.113 1.160 1.00 23.03 H new ATOM 0 HD2 ARG A 7 7.866 8.405 2.826 1.00 52.43 H new ATOM 0 HD3 ARG A 7 9.376 9.270 3.035 1.00 52.43 H new ATOM 0 HE ARG A 7 8.720 8.713 0.229 1.00 3.43 H new ATOM 0 HH11 ARG A 7 8.337 10.910 2.964 1.00 53.53 H new ATOM 0 HH12 ARG A 7 7.980 12.307 1.943 1.00 53.53 H new ATOM 0 HH21 ARG A 7 8.262 10.510 -1.078 1.00 53.35 H new ATOM 0 HH22 ARG A 7 7.938 12.081 -0.337 1.00 53.35 H new ATOM 114 N GLY A 8 8.629 3.893 5.218 1.00 4.50 N ATOM 115 CA GLY A 8 8.309 3.655 6.613 1.00 22.22 C ATOM 116 C GLY A 8 9.491 3.116 7.395 1.00 35.22 C ATOM 117 O GLY A 8 9.618 3.369 8.593 1.00 1.12 O ATOM 0 H GLY A 8 8.171 3.263 4.560 1.00 4.50 H new ATOM 0 HA2 GLY A 8 7.970 4.585 7.069 1.00 22.22 H new ATOM 0 HA3 GLY A 8 7.482 2.948 6.677 1.00 22.22 H new ATOM 121 N ARG A 9 10.356 2.369 6.717 1.00 32.12 N ATOM 122 CA ARG A 9 11.531 1.790 7.357 1.00 10.10 C ATOM 123 C ARG A 9 12.628 2.837 7.527 1.00 23.32 C ATOM 124 O ARG A 9 13.425 2.769 8.463 1.00 71.34 O ATOM 125 CB ARG A 9 12.058 0.612 6.535 1.00 53.53 C ATOM 126 CG ARG A 9 13.235 -0.101 7.178 1.00 21.53 C ATOM 127 CD ARG A 9 13.218 -1.591 6.872 1.00 3.04 C ATOM 128 NE ARG A 9 14.370 -2.281 7.447 1.00 11.14 N ATOM 129 CZ ARG A 9 15.611 -2.144 6.994 1.00 53.45 C ATOM 130 NH1 ARG A 9 15.859 -1.346 5.964 1.00 2.32 N ATOM 131 NH2 ARG A 9 16.606 -2.805 7.570 1.00 43.01 N ATOM 0 H ARG A 9 10.265 2.151 5.725 1.00 32.12 H new ATOM 0 HA ARG A 9 11.237 1.432 8.344 1.00 10.10 H new ATOM 0 HB2 ARG A 9 11.250 -0.104 6.382 1.00 53.53 H new ATOM 0 HB3 ARG A 9 12.356 0.972 5.550 1.00 53.53 H new ATOM 0 HG2 ARG A 9 14.167 0.335 6.818 1.00 21.53 H new ATOM 0 HG3 ARG A 9 13.208 0.050 8.257 1.00 21.53 H new ATOM 0 HD2 ARG A 9 12.300 -2.031 7.262 1.00 3.04 H new ATOM 0 HD3 ARG A 9 13.208 -1.739 5.792 1.00 3.04 H new ATOM 0 HE ARG A 9 14.213 -2.902 8.240 1.00 11.14 H new ATOM 0 HH11 ARG A 9 15.096 -0.836 5.518 1.00 2.32 H new ATOM 0 HH12 ARG A 9 16.813 -1.242 5.617 1.00 2.32 H new ATOM 0 HH21 ARG A 9 16.419 -3.420 8.362 1.00 43.01 H new ATOM 0 HH22 ARG A 9 17.558 -2.699 7.221 1.00 43.01 H new ATOM 145 N ALA A 10 12.663 3.803 6.616 1.00 41.51 N ATOM 146 CA ALA A 10 13.661 4.865 6.666 1.00 60.31 C ATOM 147 C ALA A 10 13.673 5.543 8.032 1.00 41.04 C ATOM 148 O ALA A 10 14.731 5.910 8.543 1.00 11.34 O ATOM 149 CB ALA A 10 13.400 5.887 5.569 1.00 22.42 C ATOM 0 H ALA A 10 12.012 3.873 5.834 1.00 41.51 H new ATOM 0 HA ALA A 10 14.641 4.417 6.504 1.00 60.31 H new ATOM 0 HB1 ALA A 10 14.153 6.674 5.618 1.00 22.42 H new ATOM 0 HB2 ALA A 10 13.450 5.398 4.596 1.00 22.42 H new ATOM 0 HB3 ALA A 10 12.410 6.323 5.706 1.00 22.42 H new ATOM 155 N ARG A 11 12.491 5.707 8.616 1.00 31.33 N ATOM 156 CA ARG A 11 12.366 6.343 9.922 1.00 20.01 C ATOM 157 C ARG A 11 13.300 5.690 10.937 1.00 45.25 C ATOM 158 O ARG A 11 14.296 6.285 11.352 1.00 62.32 O ATOM 159 CB ARG A 11 10.921 6.260 10.417 1.00 11.51 C ATOM 160 CG ARG A 11 10.638 7.145 11.621 1.00 71.34 C ATOM 161 CD ARG A 11 9.193 7.019 12.077 1.00 31.41 C ATOM 162 NE ARG A 11 8.694 8.260 12.663 1.00 33.42 N ATOM 163 CZ ARG A 11 7.597 8.331 13.409 1.00 55.04 C ATOM 164 NH1 ARG A 11 6.888 7.238 13.658 1.00 40.42 N ATOM 165 NH2 ARG A 11 7.206 9.497 13.907 1.00 43.31 N ATOM 0 H ARG A 11 11.606 5.408 8.206 1.00 31.33 H new ATOM 0 HA ARG A 11 12.648 7.391 9.816 1.00 20.01 H new ATOM 0 HB2 ARG A 11 10.251 6.541 9.605 1.00 11.51 H new ATOM 0 HB3 ARG A 11 10.693 5.226 10.675 1.00 11.51 H new ATOM 0 HG2 ARG A 11 11.304 6.872 12.439 1.00 71.34 H new ATOM 0 HG3 ARG A 11 10.852 8.184 11.369 1.00 71.34 H new ATOM 0 HD2 ARG A 11 8.568 6.742 11.228 1.00 31.41 H new ATOM 0 HD3 ARG A 11 9.112 6.215 12.808 1.00 31.41 H new ATOM 0 HE ARG A 11 9.216 9.119 12.490 1.00 33.42 H new ATOM 0 HH11 ARG A 11 7.185 6.340 13.276 1.00 40.42 H new ATOM 0 HH12 ARG A 11 6.046 7.296 14.231 1.00 40.42 H new ATOM 0 HH21 ARG A 11 7.748 10.340 13.717 1.00 43.31 H new ATOM 0 HH22 ARG A 11 6.364 9.550 14.480 1.00 43.31 H new ATOM 179 N LEU A 12 12.973 4.465 11.332 1.00 51.11 N ATOM 180 CA LEU A 12 13.782 3.731 12.298 1.00 23.14 C ATOM 181 C LEU A 12 15.232 3.636 11.834 1.00 41.00 C ATOM 182 O LEU A 12 16.156 3.636 12.648 1.00 41.25 O ATOM 183 CB LEU A 12 13.210 2.328 12.512 1.00 42.45 C ATOM 184 CG LEU A 12 11.751 2.260 12.963 1.00 11.21 C ATOM 185 CD1 LEU A 12 11.230 0.834 12.871 1.00 12.43 C ATOM 186 CD2 LEU A 12 11.606 2.793 14.381 1.00 21.43 C ATOM 0 H LEU A 12 12.153 3.959 10.998 1.00 51.11 H new ATOM 0 HA LEU A 12 13.757 4.275 13.242 1.00 23.14 H new ATOM 0 HB2 LEU A 12 13.308 1.772 11.580 1.00 42.45 H new ATOM 0 HB3 LEU A 12 13.823 1.817 13.254 1.00 42.45 H new ATOM 0 HG LEU A 12 11.155 2.886 12.299 1.00 11.21 H new ATOM 0 HD11 LEU A 12 10.190 0.805 13.196 1.00 12.43 H new ATOM 0 HD12 LEU A 12 11.298 0.488 11.840 1.00 12.43 H new ATOM 0 HD13 LEU A 12 11.828 0.186 13.511 1.00 12.43 H new ATOM 0 HD21 LEU A 12 10.561 2.737 14.686 1.00 21.43 H new ATOM 0 HD22 LEU A 12 12.214 2.194 15.059 1.00 21.43 H new ATOM 0 HD23 LEU A 12 11.939 3.830 14.416 1.00 21.43 H new ATOM 198 N ARG A 13 15.424 3.557 10.521 1.00 14.12 N ATOM 199 CA ARG A 13 16.761 3.463 9.949 1.00 70.15 C ATOM 200 C ARG A 13 17.615 4.658 10.362 1.00 52.11 C ATOM 201 O ARG A 13 18.723 4.495 10.871 1.00 43.13 O ATOM 202 CB ARG A 13 16.681 3.383 8.423 1.00 61.11 C ATOM 203 CG ARG A 13 17.825 2.605 7.793 1.00 2.40 C ATOM 204 CD ARG A 13 19.165 3.276 8.055 1.00 71.32 C ATOM 205 NE ARG A 13 19.121 4.710 7.784 1.00 44.12 N ATOM 206 CZ ARG A 13 19.065 5.226 6.561 1.00 64.42 C ATOM 207 NH1 ARG A 13 19.046 4.428 5.502 1.00 75.01 N ATOM 208 NH2 ARG A 13 19.028 6.542 6.395 1.00 24.42 N ATOM 0 H ARG A 13 14.670 3.556 9.834 1.00 14.12 H new ATOM 0 HA ARG A 13 17.229 2.555 10.330 1.00 70.15 H new ATOM 0 HB2 ARG A 13 15.737 2.917 8.141 1.00 61.11 H new ATOM 0 HB3 ARG A 13 16.672 4.394 8.015 1.00 61.11 H new ATOM 0 HG2 ARG A 13 17.840 1.591 8.192 1.00 2.40 H new ATOM 0 HG3 ARG A 13 17.662 2.522 6.718 1.00 2.40 H new ATOM 0 HD2 ARG A 13 19.456 3.112 9.093 1.00 71.32 H new ATOM 0 HD3 ARG A 13 19.930 2.813 7.432 1.00 71.32 H new ATOM 0 HE ARG A 13 19.134 5.351 8.577 1.00 44.12 H new ATOM 0 HH11 ARG A 13 19.074 3.416 5.626 1.00 75.01 H new ATOM 0 HH12 ARG A 13 19.003 4.826 4.564 1.00 75.01 H new ATOM 0 HH21 ARG A 13 19.043 7.159 7.207 1.00 24.42 H new ATOM 0 HH22 ARG A 13 18.985 6.936 5.455 1.00 24.42 H new ATOM 222 N ALA A 14 17.090 5.859 10.139 1.00 65.32 N ATOM 223 CA ALA A 14 17.804 7.081 10.489 1.00 35.22 C ATOM 224 C ALA A 14 18.088 7.140 11.986 1.00 14.53 C ATOM 225 O ALA A 14 19.156 7.584 12.409 1.00 54.05 O ATOM 226 CB ALA A 14 17.006 8.301 10.052 1.00 22.23 C ATOM 0 H ALA A 14 16.174 6.011 9.718 1.00 65.32 H new ATOM 0 HA ALA A 14 18.759 7.079 9.964 1.00 35.22 H new ATOM 0 HB1 ALA A 14 17.550 9.207 10.319 1.00 22.23 H new ATOM 0 HB2 ALA A 14 16.858 8.272 8.972 1.00 22.23 H new ATOM 0 HB3 ALA A 14 16.037 8.300 10.551 1.00 22.23 H new