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 10.789 3.020 -1.145 1.00 0.12 N ATOM 60 CA VAL A 123 9.943 2.132 -1.933 1.00 0.08 C ATOM 61 C VAL A 123 9.425 0.980 -1.072 1.00 0.05 C ATOM 62 O VAL A 123 8.326 0.485 -1.282 1.00 0.05 O ATOM 63 CB VAL A 123 10.699 1.570 -3.163 1.00 0.13 C ATOM 64 CG1 VAL A 123 11.936 0.791 -2.742 1.00 0.16 C ATOM 65 CG2 VAL A 123 9.781 0.699 -4.001 1.00 0.14 C ATOM 0 HA VAL A 123 9.098 2.720 -2.292 1.00 0.08 H new ATOM 0 HB VAL A 123 11.026 2.415 -3.769 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.445 0.410 -3.627 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.610 1.448 -2.191 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.641 -0.043 -2.105 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.330 0.313 -4.860 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.419 -0.134 -3.398 1.00 0.14 H new ATOM 0 HG23 VAL A 123 8.934 1.291 -4.347 1.00 0.14 H new ATOM 75 N GLU A 124 10.221 0.583 -0.091 1.00 0.07 N ATOM 76 CA GLU A 124 9.858 -0.482 0.837 1.00 0.08 C ATOM 77 C GLU A 124 8.544 -0.177 1.559 1.00 0.05 C ATOM 78 O GLU A 124 7.753 -1.081 1.821 1.00 0.09 O ATOM 79 CB GLU A 124 10.980 -0.689 1.852 1.00 0.14 C ATOM 80 CG GLU A 124 10.749 -1.844 2.809 1.00 1.00 C ATOM 81 CD GLU A 124 11.935 -2.090 3.712 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.856 -2.822 3.299 1.00 1.43 O ATOM 83 OE2 GLU A 124 11.954 -1.551 4.838 1.00 2.28 O ATOM 0 H GLU A 124 11.139 0.990 0.086 1.00 0.07 H new ATOM 0 HA GLU A 124 9.714 -1.396 0.261 1.00 0.08 H new ATOM 0 HB2 GLU A 124 11.913 -0.858 1.315 1.00 0.14 H new ATOM 0 HB3 GLU A 124 11.106 0.227 2.429 1.00 0.14 H new ATOM 0 HG2 GLU A 124 9.869 -1.637 3.418 1.00 1.00 H new ATOM 0 HG3 GLU A 124 10.537 -2.748 2.238 1.00 1.00 H new ATOM 90 N LEU A 125 8.307 1.088 1.874 1.00 0.03 N ATOM 91 CA LEU A 125 7.067 1.465 2.538 1.00 0.05 C ATOM 92 C LEU A 125 5.989 1.790 1.505 1.00 0.05 C ATOM 93 O LEU A 125 4.805 1.627 1.761 1.00 0.09 O ATOM 94 CB LEU A 125 7.298 2.647 3.498 1.00 0.07 C ATOM 95 CG LEU A 125 7.530 4.013 2.848 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.211 4.748 2.650 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.484 4.847 3.687 1.00 0.09 C ATOM 0 H LEU A 125 8.946 1.860 1.684 1.00 0.03 H new ATOM 0 HA LEU A 125 6.720 0.620 3.134 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.435 2.725 4.159 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.159 2.416 4.125 1.00 0.07 H new ATOM 0 HG LEU A 125 7.981 3.852 1.869 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.400 5.716 2.187 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.559 4.158 2.005 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.728 4.896 3.616 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.637 5.815 3.210 1.00 0.09 H new ATOM 0 HD22 LEU A 125 8.060 4.995 4.680 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.440 4.330 3.774 1.00 0.09 H new ATOM 109 N GLU A 126 6.404 2.232 0.327 1.00 0.04 N ATOM 110 CA GLU A 126 5.459 2.569 -0.733 1.00 0.05 C ATOM 111 C GLU A 126 4.850 1.313 -1.322 1.00 0.04 C ATOM 112 O GLU A 126 3.658 1.260 -1.630 1.00 0.05 O ATOM 113 CB GLU A 126 6.158 3.370 -1.824 1.00 0.06 C ATOM 114 CG GLU A 126 6.796 4.621 -1.283 1.00 0.13 C ATOM 115 CD GLU A 126 6.789 5.763 -2.274 1.00 0.47 C ATOM 116 OE1 GLU A 126 5.814 6.544 -2.284 1.00 0.74 O ATOM 117 OE2 GLU A 126 7.764 5.892 -3.043 1.00 0.81 O ATOM 0 H GLU A 126 7.384 2.366 0.079 1.00 0.04 H new ATOM 0 HA GLU A 126 4.661 3.174 -0.304 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.919 2.750 -2.298 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.437 3.636 -2.597 1.00 0.06 H new ATOM 0 HG2 GLU A 126 6.271 4.928 -0.379 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.825 4.403 -0.996 1.00 0.13 H new ATOM 124 N ARG A 127 5.689 0.309 -1.459 1.00 0.03 N ATOM 125 CA ARG A 127 5.281 -0.978 -2.006 1.00 0.04 C ATOM 126 C ARG A 127 4.192 -1.610 -1.146 1.00 0.03 C ATOM 127 O ARG A 127 3.229 -2.172 -1.666 1.00 0.05 O ATOM 128 CB ARG A 127 6.482 -1.928 -2.117 1.00 0.04 C ATOM 129 CG ARG A 127 7.045 -2.375 -0.777 1.00 0.06 C ATOM 130 CD ARG A 127 8.122 -3.433 -0.939 1.00 0.12 C ATOM 131 NE ARG A 127 9.212 -2.982 -1.806 1.00 1.21 N ATOM 132 CZ ARG A 127 10.504 -3.073 -1.497 1.00 1.61 C ATOM 133 NH1 ARG A 127 10.882 -3.581 -0.329 1.00 1.38 N ATOM 134 NH2 ARG A 127 11.423 -2.663 -2.364 1.00 2.65 N ATOM 0 H ARG A 127 6.673 0.356 -1.196 1.00 0.03 H new ATOM 0 HA ARG A 127 4.880 -0.806 -3.005 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.184 -2.809 -2.686 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.271 -1.434 -2.684 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.458 -1.514 -0.252 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.239 -2.769 -0.158 1.00 0.06 H new ATOM 0 HD2 ARG A 127 8.523 -3.694 0.040 1.00 0.12 H new ATOM 0 HD3 ARG A 127 7.680 -4.339 -1.354 1.00 0.12 H new ATOM 0 HE ARG A 127 8.965 -2.571 -2.706 1.00 1.21 H new ATOM 0 HH11 ARG A 127 10.181 -3.904 0.337 1.00 1.38 H new ATOM 0 HH12 ARG A 127 11.873 -3.648 -0.099 1.00 1.38 H new ATOM 0 HH21 ARG A 127 11.139 -2.279 -3.265 1.00 2.65 H new ATOM 0 HH22 ARG A 127 12.413 -2.732 -2.129 1.00 2.65 H new ATOM 148 N GLU A 128 4.341 -1.502 0.170 1.00 0.03 N ATOM 149 CA GLU A 128 3.361 -2.054 1.085 1.00 0.03 C ATOM 150 C GLU A 128 2.098 -1.207 1.069 1.00 0.04 C ATOM 151 O GLU A 128 0.997 -1.749 1.049 1.00 0.07 O ATOM 152 CB GLU A 128 3.936 -2.176 2.501 1.00 0.07 C ATOM 153 CG GLU A 128 4.494 -0.888 3.063 1.00 0.09 C ATOM 154 CD GLU A 128 5.012 -1.035 4.480 1.00 0.24 C ATOM 155 OE1 GLU A 128 4.190 -1.097 5.418 1.00 0.42 O ATOM 156 OE2 GLU A 128 6.247 -1.090 4.663 1.00 0.39 O ATOM 0 H GLU A 128 5.130 -1.038 0.621 1.00 0.03 H new ATOM 0 HA GLU A 128 3.103 -3.060 0.754 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.154 -2.540 3.167 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.725 -2.928 2.496 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.302 -0.538 2.421 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.718 -0.123 3.043 1.00 0.09 H new ATOM 163 N LEU A 129 2.259 0.120 1.050 1.00 0.03 N ATOM 164 CA LEU A 129 1.122 1.025 0.934 1.00 0.05 C ATOM 165 C LEU A 129 0.257 0.640 -0.256 1.00 0.06 C ATOM 166 O LEU A 129 -0.934 0.377 -0.107 1.00 0.09 O ATOM 167 CB LEU A 129 1.590 2.470 0.771 1.00 0.06 C ATOM 168 CG LEU A 129 2.358 3.058 1.955 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.868 4.439 1.604 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.482 3.107 3.197 1.00 0.14 C ATOM 0 H LEU A 129 3.164 0.586 1.113 1.00 0.03 H new ATOM 0 HA LEU A 129 0.537 0.944 1.850 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.223 2.529 -0.114 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.718 3.095 0.581 1.00 0.06 H new ATOM 0 HG LEU A 129 3.210 2.414 2.173 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.414 4.852 2.452 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.532 4.373 0.742 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.026 5.088 1.364 1.00 0.11 H new ATOM 0 HD21 LEU A 129 2.050 3.529 4.026 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.608 3.729 3.002 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.159 2.098 3.454 1.00 0.14 H new ATOM 182 N ALA A 130 0.881 0.575 -1.428 1.00 0.07 N ATOM 183 CA ALA A 130 0.188 0.236 -2.668 1.00 0.11 C ATOM 184 C ALA A 130 -0.501 -1.123 -2.572 1.00 0.14 C ATOM 185 O ALA A 130 -1.548 -1.344 -3.180 1.00 0.19 O ATOM 186 CB ALA A 130 1.173 0.244 -3.826 1.00 0.13 C ATOM 0 H ALA A 130 1.878 0.755 -1.546 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.583 0.986 -2.841 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.652 -0.009 -4.749 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.616 1.235 -3.920 1.00 0.13 H new ATOM 0 HB3 ALA A 130 1.959 -0.488 -3.640 1.00 0.13 H new ATOM 192 N GLU A 131 0.078 -2.010 -1.780 1.00 0.14 N ATOM 193 CA GLU A 131 -0.423 -3.356 -1.625 1.00 0.18 C ATOM 194 C GLU A 131 -1.731 -3.352 -0.826 1.00 0.22 C ATOM 195 O GLU A 131 -2.697 -4.022 -1.200 1.00 0.26 O ATOM 196 CB GLU A 131 0.676 -4.199 -0.963 1.00 0.17 C ATOM 197 CG GLU A 131 0.227 -5.027 0.223 1.00 0.23 C ATOM 198 CD GLU A 131 -0.446 -6.324 -0.182 1.00 0.35 C ATOM 199 OE1 GLU A 131 0.214 -7.174 -0.813 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.640 -6.501 0.141 1.00 0.56 O ATOM 0 H GLU A 131 0.911 -1.811 -1.227 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.663 -3.797 -2.593 1.00 0.18 H new ATOM 0 HB2 GLU A 131 1.100 -4.867 -1.712 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.477 -3.534 -0.639 1.00 0.17 H new ATOM 0 HG2 GLU A 131 1.090 -5.252 0.850 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.463 -4.440 0.829 1.00 0.23 H new ATOM 207 N LEU A 132 -1.770 -2.571 0.253 1.00 0.21 N ATOM 208 CA LEU A 132 -2.981 -2.454 1.064 1.00 0.25 C ATOM 209 C LEU A 132 -4.033 -1.666 0.306 1.00 0.29 C ATOM 210 O LEU A 132 -5.222 -1.968 0.369 1.00 0.35 O ATOM 211 CB LEU A 132 -2.703 -1.738 2.378 1.00 0.25 C ATOM 212 CG LEU A 132 -1.448 -2.171 3.109 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.605 -0.951 3.371 1.00 0.19 C ATOM 214 CD2 LEU A 132 -1.791 -2.880 4.408 1.00 0.32 C ATOM 0 H LEU A 132 -0.983 -2.013 0.584 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.333 -3.463 1.276 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.636 -0.668 2.181 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.556 -1.887 3.039 1.00 0.25 H new ATOM 0 HG LEU A 132 -0.892 -2.879 2.494 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.304 -1.243 3.897 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.341 -0.481 2.424 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.167 -0.245 3.982 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -0.872 -3.180 4.912 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.355 -2.206 5.052 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -2.392 -3.764 4.193 1.00 0.32 H new ATOM 226 N ARG A 133 -3.569 -0.642 -0.397 1.00 0.28 N ATOM 227 CA ARG A 133 -4.428 0.214 -1.199 1.00 0.34 C ATOM 228 C ARG A 133 -5.135 -0.583 -2.284 1.00 0.40 C ATOM 229 O ARG A 133 -6.257 -0.264 -2.675 1.00 0.47 O ATOM 230 CB ARG A 133 -3.595 1.317 -1.840 1.00 0.31 C ATOM 231 CG ARG A 133 -3.015 2.306 -0.856 1.00 0.29 C ATOM 232 CD ARG A 133 -2.355 3.462 -1.586 1.00 1.03 C ATOM 233 NE ARG A 133 -1.587 4.328 -0.695 1.00 1.74 N ATOM 234 CZ ARG A 133 -0.635 5.160 -1.115 1.00 2.61 C ATOM 235 NH1 ARG A 133 -0.359 5.259 -2.409 1.00 3.04 N ATOM 236 NH2 ARG A 133 0.031 5.903 -0.241 1.00 3.48 N ATOM 0 H ARG A 133 -2.583 -0.382 -0.426 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.183 0.651 -0.545 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.780 0.861 -2.403 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.215 1.856 -2.557 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -3.803 2.683 -0.204 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.285 1.807 -0.218 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -1.696 3.069 -2.360 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -3.120 4.053 -2.089 1.00 1.03 H new ATOM 0 HE ARG A 133 -1.791 4.294 0.304 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -0.876 4.697 -3.085 1.00 3.04 H new ATOM 0 HH12 ARG A 133 0.370 5.897 -2.728 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -0.186 5.838 0.754 1.00 3.48 H new ATOM 0 HH22 ARG A 133 0.760 6.540 -0.564 1.00 3.48 H new