USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A2963 SER OG : rot 51:sc= 0.154 USER MOD Single : A2971 SER OG : rot 180:sc= 0 USER MOD Single : A2986 GLN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : A2987 ASN : amide:sc= -0.912 K(o=-0.91,f=0) USER MOD Single : A2988 GLN : amide:sc= -0.547 K(o=-0.55,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -8.855 6.015 -11.470 1.00 0.00 N ATOM 82 CA ASP A2957 -8.792 6.024 -12.945 1.00 0.00 C ATOM 83 C ASP A2957 -9.577 7.249 -13.481 1.00 0.00 C ATOM 84 O ASP A2957 -10.743 7.423 -13.109 1.00 0.00 O ATOM 85 CB ASP A2957 -9.353 4.697 -13.532 1.00 0.00 C ATOM 86 CG ASP A2957 -9.177 4.599 -15.062 1.00 0.00 C ATOM 87 OD1 ASP A2957 -8.096 4.182 -15.522 1.00 0.00 O ATOM 88 OD2 ASP A2957 -10.101 4.965 -15.812 1.00 0.00 O ATOM 0 HA ASP A2957 -7.752 6.103 -13.261 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -8.850 3.854 -13.058 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -10.412 4.615 -13.287 1.00 0.00 H new ATOM 93 N PRO A2958 -8.958 8.116 -14.353 1.00 0.00 N ATOM 94 CA PRO A2958 -9.613 9.357 -14.875 1.00 0.00 C ATOM 95 C PRO A2958 -10.850 9.087 -15.777 1.00 0.00 C ATOM 96 O PRO A2958 -11.708 9.964 -15.930 1.00 0.00 O ATOM 97 CB PRO A2958 -8.466 10.058 -15.658 1.00 0.00 C ATOM 98 CG PRO A2958 -7.552 8.935 -16.058 1.00 0.00 C ATOM 99 CD PRO A2958 -7.573 7.978 -14.884 1.00 0.00 C ATOM 0 HA PRO A2958 -10.029 9.962 -14.069 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -8.847 10.591 -16.529 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -7.949 10.790 -15.037 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.899 8.449 -16.970 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.543 9.298 -16.254 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -7.362 6.955 -15.195 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.827 8.244 -14.135 1.00 0.00 H new ATOM 107 N LEU A2959 -10.940 7.872 -16.347 1.00 0.00 N ATOM 108 CA LEU A2959 -12.036 7.486 -17.272 1.00 0.00 C ATOM 109 C LEU A2959 -13.024 6.506 -16.584 1.00 0.00 C ATOM 110 O LEU A2959 -13.939 5.975 -17.222 1.00 0.00 O ATOM 111 CB LEU A2959 -11.414 6.873 -18.566 1.00 0.00 C ATOM 112 CG LEU A2959 -12.385 6.609 -19.771 1.00 0.00 C ATOM 113 CD1 LEU A2959 -13.100 7.903 -20.218 1.00 0.00 C ATOM 114 CD2 LEU A2959 -11.645 5.952 -20.955 1.00 0.00 C ATOM 0 H LEU A2959 -10.261 7.128 -16.184 1.00 0.00 H new ATOM 0 HA LEU A2959 -12.614 8.369 -17.546 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -10.623 7.539 -18.909 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -10.941 5.928 -18.299 1.00 0.00 H new ATOM 0 HG LEU A2959 -13.148 5.912 -19.424 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -13.764 7.682 -21.054 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -13.683 8.302 -19.388 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -12.359 8.640 -20.528 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -12.345 5.782 -21.773 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -10.844 6.609 -21.293 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -11.222 4.999 -20.636 1.00 0.00 H new ATOM 126 N ALA A2960 -12.862 6.314 -15.255 1.00 0.00 N ATOM 127 CA ALA A2960 -13.717 5.400 -14.456 1.00 0.00 C ATOM 128 C ALA A2960 -15.177 5.889 -14.343 1.00 0.00 C ATOM 129 O ALA A2960 -16.064 5.117 -13.966 1.00 0.00 O ATOM 130 CB ALA A2960 -13.117 5.200 -13.057 1.00 0.00 C ATOM 0 H ALA A2960 -12.141 6.784 -14.707 1.00 0.00 H new ATOM 0 HA ALA A2960 -13.742 4.448 -14.986 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -13.753 4.528 -12.481 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -12.120 4.768 -13.147 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -13.051 6.162 -12.548 1.00 0.00 H new ATOM 136 N GLY A2961 -15.410 7.167 -14.684 1.00 0.00 N ATOM 137 CA GLY A2961 -16.716 7.801 -14.502 1.00 0.00 C ATOM 138 C GLY A2961 -16.901 8.341 -13.087 1.00 0.00 C ATOM 139 O GLY A2961 -18.018 8.688 -12.685 1.00 0.00 O ATOM 0 H GLY A2961 -14.703 7.780 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -16.825 8.616 -15.218 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -17.503 7.078 -14.719 1.00 0.00 H new ATOM 143 N ILE A2962 -15.789 8.397 -12.328 1.00 0.00 N ATOM 144 CA ILE A2962 -15.763 8.911 -10.948 1.00 0.00 C ATOM 145 C ILE A2962 -15.453 10.416 -10.938 1.00 0.00 C ATOM 146 O ILE A2962 -14.937 10.963 -11.923 1.00 0.00 O ATOM 147 CB ILE A2962 -14.720 8.124 -10.064 1.00 0.00 C ATOM 148 CG1 ILE A2962 -13.277 8.197 -10.674 1.00 0.00 C ATOM 149 CG2 ILE A2962 -15.180 6.660 -9.864 1.00 0.00 C ATOM 150 CD1 ILE A2962 -12.201 7.455 -9.886 1.00 0.00 C ATOM 0 H ILE A2962 -14.877 8.084 -12.660 1.00 0.00 H new ATOM 0 HA ILE A2962 -16.751 8.757 -10.515 1.00 0.00 H new ATOM 0 HB ILE A2962 -14.674 8.602 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -13.307 7.794 -11.686 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.987 9.245 -10.757 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -14.450 6.130 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -16.149 6.648 -9.365 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -15.265 6.170 -10.834 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -11.240 7.566 -10.389 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -12.134 7.871 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -12.459 6.398 -9.825 1.00 0.00 H new ATOM 162 N SER A2963 -15.765 11.067 -9.808 1.00 0.00 N ATOM 163 CA SER A2963 -15.648 12.527 -9.661 1.00 0.00 C ATOM 164 C SER A2963 -14.189 12.944 -9.358 1.00 0.00 C ATOM 165 O SER A2963 -13.797 13.103 -8.196 1.00 0.00 O ATOM 166 CB SER A2963 -16.627 13.007 -8.560 1.00 0.00 C ATOM 167 OG SER A2963 -16.453 12.275 -7.353 1.00 0.00 O ATOM 0 H SER A2963 -16.106 10.597 -8.969 1.00 0.00 H new ATOM 0 HA SER A2963 -15.918 13.008 -10.601 1.00 0.00 H new ATOM 0 HB2 SER A2963 -16.469 14.068 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A2963 -17.653 12.895 -8.910 1.00 0.00 H new ATOM 0 HG SER A2963 -15.506 12.281 -7.100 1.00 0.00 H new ATOM 173 N LEU A2964 -13.375 13.038 -10.426 1.00 0.00 N ATOM 174 CA LEU A2964 -11.998 13.560 -10.357 1.00 0.00 C ATOM 175 C LEU A2964 -11.953 14.965 -10.986 1.00 0.00 C ATOM 176 O LEU A2964 -12.231 15.105 -12.185 1.00 0.00 O ATOM 177 CB LEU A2964 -11.002 12.614 -11.086 1.00 0.00 C ATOM 178 CG LEU A2964 -10.846 11.186 -10.481 1.00 0.00 C ATOM 179 CD1 LEU A2964 -9.791 10.366 -11.251 1.00 0.00 C ATOM 180 CD2 LEU A2964 -10.512 11.241 -8.970 1.00 0.00 C ATOM 0 H LEU A2964 -13.655 12.753 -11.364 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.699 13.617 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -11.320 12.514 -12.124 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -10.022 13.091 -11.098 1.00 0.00 H new ATOM 0 HG LEU A2964 -11.806 10.682 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -9.705 9.375 -10.806 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -10.094 10.270 -12.294 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -8.827 10.873 -11.199 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -10.411 10.227 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -9.576 11.781 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -11.314 11.754 -8.439 1.00 0.00 H new ATOM 192 N PRO A2965 -11.626 16.033 -10.188 1.00 0.00 N ATOM 193 CA PRO A2965 -11.475 17.412 -10.719 1.00 0.00 C ATOM 194 C PRO A2965 -10.216 17.570 -11.604 1.00 0.00 C ATOM 195 O PRO A2965 -9.355 16.688 -11.644 1.00 0.00 O ATOM 196 CB PRO A2965 -11.388 18.276 -9.432 1.00 0.00 C ATOM 197 CG PRO A2965 -10.797 17.346 -8.413 1.00 0.00 C ATOM 198 CD PRO A2965 -11.393 15.986 -8.717 1.00 0.00 C ATOM 0 HA PRO A2965 -12.296 17.700 -11.376 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.761 19.155 -9.582 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -12.370 18.634 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -9.710 17.324 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -11.043 17.665 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -10.713 15.179 -8.443 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -12.320 15.822 -8.168 1.00 0.00 H new ATOM 206 N GLU A2966 -10.129 18.702 -12.317 1.00 0.00 N ATOM 207 CA GLU A2966 -9.009 18.991 -13.235 1.00 0.00 C ATOM 208 C GLU A2966 -7.774 19.467 -12.452 1.00 0.00 C ATOM 209 O GLU A2966 -7.874 20.381 -11.638 1.00 0.00 O ATOM 210 CB GLU A2966 -9.439 20.054 -14.269 1.00 0.00 C ATOM 211 CG GLU A2966 -8.351 20.442 -15.288 1.00 0.00 C ATOM 212 CD GLU A2966 -8.842 21.489 -16.299 1.00 0.00 C ATOM 213 OE1 GLU A2966 -8.732 22.704 -16.019 1.00 0.00 O ATOM 214 OE2 GLU A2966 -9.343 21.101 -17.378 1.00 0.00 O ATOM 0 H GLU A2966 -10.829 19.443 -12.277 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.742 18.075 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -10.308 19.682 -14.811 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.755 20.951 -13.737 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -7.483 20.833 -14.757 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -8.023 19.550 -15.823 1.00 0.00 H new ATOM 221 N GLY A2967 -6.612 18.842 -12.717 1.00 0.00 N ATOM 222 CA GLY A2967 -5.348 19.226 -12.075 1.00 0.00 C ATOM 223 C GLY A2967 -4.808 18.178 -11.116 1.00 0.00 C ATOM 224 O GLY A2967 -3.764 18.392 -10.488 1.00 0.00 O ATOM 0 H GLY A2967 -6.526 18.067 -13.374 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.602 19.419 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.495 20.160 -11.533 1.00 0.00 H new ATOM 228 N VAL A2968 -5.522 17.041 -10.979 1.00 0.00 N ATOM 229 CA VAL A2968 -5.070 15.907 -10.153 1.00 0.00 C ATOM 230 C VAL A2968 -4.686 14.712 -11.065 1.00 0.00 C ATOM 231 O VAL A2968 -5.526 14.137 -11.773 1.00 0.00 O ATOM 232 CB VAL A2968 -6.141 15.521 -9.055 1.00 0.00 C ATOM 233 CG1 VAL A2968 -7.493 15.060 -9.652 1.00 0.00 C ATOM 234 CG2 VAL A2968 -5.569 14.485 -8.072 1.00 0.00 C ATOM 0 H VAL A2968 -6.421 16.886 -11.435 1.00 0.00 H new ATOM 0 HA VAL A2968 -4.177 16.204 -9.603 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.362 16.434 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -8.181 14.811 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -7.917 15.863 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -7.334 14.182 -10.277 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -6.324 14.235 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.285 13.585 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -4.692 14.900 -7.575 1.00 0.00 H new ATOM 244 N ASP A2969 -3.385 14.393 -11.082 1.00 0.00 N ATOM 245 CA ASP A2969 -2.804 13.328 -11.918 1.00 0.00 C ATOM 246 C ASP A2969 -2.746 11.997 -11.125 1.00 0.00 C ATOM 247 O ASP A2969 -2.255 11.985 -9.990 1.00 0.00 O ATOM 248 CB ASP A2969 -1.395 13.772 -12.388 1.00 0.00 C ATOM 249 CG ASP A2969 -0.716 12.755 -13.318 1.00 0.00 C ATOM 250 OD1 ASP A2969 -0.966 12.785 -14.539 1.00 0.00 O ATOM 251 OD2 ASP A2969 0.060 11.921 -12.833 1.00 0.00 O ATOM 0 H ASP A2969 -2.694 14.874 -10.507 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.428 13.158 -12.795 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -1.477 14.728 -12.905 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.763 13.934 -11.515 1.00 0.00 H new ATOM 256 N PRO A2970 -3.242 10.850 -11.711 1.00 0.00 N ATOM 257 CA PRO A2970 -3.343 9.546 -10.999 1.00 0.00 C ATOM 258 C PRO A2970 -1.990 8.861 -10.692 1.00 0.00 C ATOM 259 O PRO A2970 -1.970 7.901 -9.926 1.00 0.00 O ATOM 260 CB PRO A2970 -4.215 8.684 -11.950 1.00 0.00 C ATOM 261 CG PRO A2970 -3.937 9.241 -13.309 1.00 0.00 C ATOM 262 CD PRO A2970 -3.784 10.737 -13.098 1.00 0.00 C ATOM 0 HA PRO A2970 -3.767 9.683 -10.004 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.947 7.629 -11.890 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.273 8.759 -11.698 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -3.032 8.808 -13.735 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.751 9.021 -14.000 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.105 11.176 -13.829 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.738 11.254 -13.198 1.00 0.00 H new ATOM 270 N SER A2971 -0.869 9.362 -11.258 1.00 0.00 N ATOM 271 CA SER A2971 0.457 8.753 -11.024 1.00 0.00 C ATOM 272 C SER A2971 0.945 9.037 -9.591 1.00 0.00 C ATOM 273 O SER A2971 1.377 8.114 -8.910 1.00 0.00 O ATOM 274 CB SER A2971 1.489 9.227 -12.067 1.00 0.00 C ATOM 275 OG SER A2971 1.062 8.929 -13.383 1.00 0.00 O ATOM 0 H SER A2971 -0.856 10.176 -11.872 1.00 0.00 H new ATOM 0 HA SER A2971 0.351 7.674 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.644 10.301 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.449 8.747 -11.876 1.00 0.00 H new ATOM 0 HG SER A2971 1.734 9.242 -14.024 1.00 0.00 H new ATOM 281 N PHE A2972 0.854 10.313 -9.120 1.00 0.00 N ATOM 282 CA PHE A2972 1.181 10.643 -7.706 1.00 0.00 C ATOM 283 C PHE A2972 0.074 10.136 -6.771 1.00 0.00 C ATOM 284 O PHE A2972 0.321 9.786 -5.621 1.00 0.00 O ATOM 285 CB PHE A2972 1.447 12.175 -7.482 1.00 0.00 C ATOM 286 CG PHE A2972 0.275 13.160 -7.681 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.747 13.288 -6.727 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.213 13.991 -8.806 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.771 14.196 -6.892 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.817 14.901 -8.962 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.811 14.999 -8.007 1.00 0.00 C ATOM 0 H PHE A2972 0.564 11.111 -9.685 1.00 0.00 H new ATOM 0 HA PHE A2972 2.113 10.132 -7.466 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.819 12.302 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.250 12.474 -8.155 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.731 12.663 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A2972 0.980 13.921 -9.563 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.545 14.277 -6.143 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.844 15.538 -9.834 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.618 15.705 -8.136 1.00 0.00 H new ATOM 301 N LEU A2973 -1.150 10.106 -7.307 1.00 0.00 N ATOM 302 CA LEU A2973 -2.363 9.747 -6.564 1.00 0.00 C ATOM 303 C LEU A2973 -2.356 8.238 -6.205 1.00 0.00 C ATOM 304 O LEU A2973 -2.983 7.823 -5.223 1.00 0.00 O ATOM 305 CB LEU A2973 -3.596 10.132 -7.433 1.00 0.00 C ATOM 306 CG LEU A2973 -4.902 10.546 -6.689 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.668 11.787 -5.795 1.00 0.00 C ATOM 308 CD2 LEU A2973 -6.043 10.811 -7.699 1.00 0.00 C ATOM 0 H LEU A2973 -1.329 10.334 -8.285 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.408 10.291 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.304 10.956 -8.084 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.831 9.285 -8.078 1.00 0.00 H new ATOM 0 HG LEU A2973 -5.196 9.719 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.597 12.051 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.902 11.562 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -4.340 12.623 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.946 11.099 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.752 11.615 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -6.237 9.906 -8.275 1.00 0.00 H new ATOM 320 N ALA A2974 -1.651 7.435 -7.038 1.00 0.00 N ATOM 321 CA ALA A2974 -1.470 5.986 -6.838 1.00 0.00 C ATOM 322 C ALA A2974 -0.155 5.680 -6.101 1.00 0.00 C ATOM 323 O ALA A2974 -0.155 5.000 -5.067 1.00 0.00 O ATOM 324 CB ALA A2974 -1.483 5.272 -8.197 1.00 0.00 C ATOM 0 H ALA A2974 -1.188 7.785 -7.877 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.293 5.623 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.349 4.201 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.436 5.452 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -0.673 5.655 -8.817 1.00 0.00 H new ATOM 330 N ALA A2975 0.964 6.191 -6.664 1.00 0.00 N ATOM 331 CA ALA A2975 2.339 5.846 -6.217 1.00 0.00 C ATOM 332 C ALA A2975 2.619 6.322 -4.784 1.00 0.00 C ATOM 333 O ALA A2975 3.171 5.572 -3.965 1.00 0.00 O ATOM 334 CB ALA A2975 3.377 6.444 -7.179 1.00 0.00 C ATOM 0 H ALA A2975 0.942 6.853 -7.440 1.00 0.00 H new ATOM 0 HA ALA A2975 2.417 4.759 -6.224 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.380 6.184 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.218 6.044 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.271 7.529 -7.200 1.00 0.00 H new ATOM 340 N LEU A2976 2.253 7.582 -4.509 1.00 0.00 N ATOM 341 CA LEU A2976 2.355 8.175 -3.170 1.00 0.00 C ATOM 342 C LEU A2976 1.162 7.703 -2.313 1.00 0.00 C ATOM 343 O LEU A2976 0.052 7.570 -2.846 1.00 0.00 O ATOM 344 CB LEU A2976 2.372 9.721 -3.270 1.00 0.00 C ATOM 345 CG LEU A2976 3.520 10.362 -4.104 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.337 11.890 -4.195 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.903 9.999 -3.519 1.00 0.00 C ATOM 0 H LEU A2976 1.877 8.219 -5.211 1.00 0.00 H new ATOM 0 HA LEU A2976 3.284 7.853 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.422 10.043 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.421 10.126 -2.259 1.00 0.00 H new ATOM 0 HG LEU A2976 3.474 9.955 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.149 12.319 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.384 12.114 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.348 12.318 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.685 10.460 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A2976 4.972 10.364 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.029 8.916 -3.528 1.00 0.00 H new ATOM 359 N PRO A2977 1.361 7.462 -0.969 1.00 0.00 N ATOM 360 CA PRO A2977 0.295 6.926 -0.075 1.00 0.00 C ATOM 361 C PRO A2977 -0.864 7.931 0.114 1.00 0.00 C ATOM 362 O PRO A2977 -0.776 9.088 -0.323 1.00 0.00 O ATOM 363 CB PRO A2977 1.042 6.659 1.259 1.00 0.00 C ATOM 364 CG PRO A2977 2.163 7.657 1.241 1.00 0.00 C ATOM 365 CD PRO A2977 2.617 7.720 -0.206 1.00 0.00 C ATOM 0 HA PRO A2977 -0.181 6.034 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.390 6.804 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.416 5.637 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A2977 1.827 8.633 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A2977 2.977 7.347 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.045 8.692 -0.452 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.380 6.972 -0.422 1.00 0.00 H new ATOM 373 N ASP A2978 -1.923 7.488 0.813 1.00 0.00 N ATOM 374 CA ASP A2978 -3.194 8.235 0.910 1.00 0.00 C ATOM 375 C ASP A2978 -3.038 9.623 1.573 1.00 0.00 C ATOM 376 O ASP A2978 -3.765 10.545 1.220 1.00 0.00 O ATOM 377 CB ASP A2978 -4.263 7.389 1.644 1.00 0.00 C ATOM 378 CG ASP A2978 -5.635 8.086 1.715 1.00 0.00 C ATOM 379 OD1 ASP A2978 -6.297 8.215 0.664 1.00 0.00 O ATOM 380 OD2 ASP A2978 -6.059 8.500 2.818 1.00 0.00 O ATOM 0 H ASP A2978 -1.925 6.606 1.326 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.524 8.423 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.374 6.432 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -3.918 7.174 2.655 1.00 0.00 H new ATOM 385 N ASP A2979 -2.037 9.766 2.446 1.00 0.00 N ATOM 386 CA ASP A2979 -1.879 10.936 3.339 1.00 0.00 C ATOM 387 C ASP A2979 -1.664 12.247 2.549 1.00 0.00 C ATOM 388 O ASP A2979 -2.468 13.200 2.641 1.00 0.00 O ATOM 389 CB ASP A2979 -0.656 10.698 4.278 1.00 0.00 C ATOM 390 CG ASP A2979 -0.755 9.422 5.133 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.659 8.312 4.563 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.939 9.523 6.367 1.00 0.00 O ATOM 0 H ASP A2979 -1.301 9.069 2.560 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.798 11.043 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.248 10.646 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.548 11.557 4.940 1.00 0.00 H new ATOM 397 N ILE A2980 -0.620 12.267 1.716 1.00 0.00 N ATOM 398 CA ILE A2980 -0.268 13.476 0.962 1.00 0.00 C ATOM 399 C ILE A2980 -1.121 13.589 -0.303 1.00 0.00 C ATOM 400 O ILE A2980 -1.395 14.686 -0.751 1.00 0.00 O ATOM 401 CB ILE A2980 1.271 13.608 0.620 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.723 12.638 -0.509 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.132 13.404 1.891 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.644 11.172 -0.146 1.00 0.00 C ATOM 0 H ILE A2980 -0.008 11.469 1.547 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.488 14.312 1.626 1.00 0.00 H new ATOM 0 HB ILE A2980 1.423 14.620 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A2980 1.107 12.815 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.750 12.876 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.187 13.499 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.870 14.158 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A2980 1.946 12.411 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.978 10.569 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.283 10.975 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.614 10.913 0.100 1.00 0.00 H new ATOM 416 N ARG A2981 -1.566 12.438 -0.857 1.00 0.00 N ATOM 417 CA ARG A2981 -2.332 12.419 -2.112 1.00 0.00 C ATOM 418 C ARG A2981 -3.737 13.047 -1.896 1.00 0.00 C ATOM 419 O ARG A2981 -4.265 13.728 -2.789 1.00 0.00 O ATOM 420 CB ARG A2981 -2.375 10.966 -2.717 1.00 0.00 C ATOM 421 CG ARG A2981 -3.385 9.954 -2.109 1.00 0.00 C ATOM 422 CD ARG A2981 -4.764 9.935 -2.784 1.00 0.00 C ATOM 423 NE ARG A2981 -5.649 8.918 -2.191 1.00 0.00 N ATOM 424 CZ ARG A2981 -6.155 7.849 -2.834 1.00 0.00 C ATOM 425 NH1 ARG A2981 -5.745 7.520 -4.059 1.00 0.00 N ATOM 426 NH2 ARG A2981 -7.019 7.078 -2.204 1.00 0.00 N ATOM 0 H ARG A2981 -1.405 11.516 -0.452 1.00 0.00 H new ATOM 0 HA ARG A2981 -1.830 13.038 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.590 11.054 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -1.377 10.537 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -2.955 8.954 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -3.517 10.185 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.227 10.918 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -4.645 9.737 -3.849 1.00 0.00 H new ATOM 0 HE ARG A2981 -5.900 9.034 -1.209 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -5.034 8.082 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -6.142 6.706 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -7.293 7.296 -1.246 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -7.413 6.263 -2.675 1.00 0.00 H new ATOM 440 N ARG A2982 -4.319 12.844 -0.685 1.00 0.00 N ATOM 441 CA ARG A2982 -5.617 13.444 -0.317 1.00 0.00 C ATOM 442 C ARG A2982 -5.449 14.939 -0.006 1.00 0.00 C ATOM 443 O ARG A2982 -6.311 15.741 -0.389 1.00 0.00 O ATOM 444 CB ARG A2982 -6.296 12.712 0.888 1.00 0.00 C ATOM 445 CG ARG A2982 -5.551 12.835 2.238 1.00 0.00 C ATOM 446 CD ARG A2982 -6.283 12.159 3.403 1.00 0.00 C ATOM 447 NE ARG A2982 -7.481 12.922 3.811 1.00 0.00 N ATOM 448 CZ ARG A2982 -8.576 12.392 4.375 1.00 0.00 C ATOM 449 NH1 ARG A2982 -8.714 11.077 4.474 1.00 0.00 N ATOM 450 NH2 ARG A2982 -9.547 13.187 4.797 1.00 0.00 N ATOM 0 H ARG A2982 -3.905 12.269 0.049 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.276 13.326 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.305 13.107 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.395 11.655 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.559 12.395 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.410 13.890 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.575 11.150 3.113 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.606 12.063 4.252 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.474 13.929 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -7.984 10.459 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -9.550 10.683 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -9.460 14.198 4.692 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -10.382 12.789 5.227 1.00 0.00 H new ATOM 464 N GLU A2983 -4.339 15.327 0.696 1.00 0.00 N ATOM 465 CA GLU A2983 -4.143 16.738 1.093 1.00 0.00 C ATOM 466 C GLU A2983 -3.839 17.618 -0.132 1.00 0.00 C ATOM 467 O GLU A2983 -4.344 18.726 -0.203 1.00 0.00 O ATOM 468 CB GLU A2983 -3.056 16.910 2.195 1.00 0.00 C ATOM 469 CG GLU A2983 -1.597 16.776 1.726 1.00 0.00 C ATOM 470 CD GLU A2983 -0.572 16.949 2.855 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.214 15.950 3.516 1.00 0.00 O ATOM 472 OE2 GLU A2983 -0.134 18.092 3.100 1.00 0.00 O ATOM 0 H GLU A2983 -3.593 14.695 0.986 1.00 0.00 H new ATOM 0 HA GLU A2983 -5.083 17.073 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -3.182 17.892 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -3.236 16.170 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.459 15.796 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.403 17.519 0.953 1.00 0.00 H new ATOM 479 N VAL A2984 -3.046 17.099 -1.105 1.00 0.00 N ATOM 480 CA VAL A2984 -2.715 17.842 -2.348 1.00 0.00 C ATOM 481 C VAL A2984 -3.962 17.988 -3.242 1.00 0.00 C ATOM 482 O VAL A2984 -4.124 19.012 -3.897 1.00 0.00 O ATOM 483 CB VAL A2984 -1.513 17.199 -3.158 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.234 17.146 -2.294 1.00 0.00 C ATOM 485 CG2 VAL A2984 -1.871 15.801 -3.721 1.00 0.00 C ATOM 0 H VAL A2984 -2.625 16.171 -1.052 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.381 18.832 -2.038 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.318 17.843 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.577 16.701 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.045 18.156 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.420 16.543 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.018 15.400 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.122 15.131 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -2.725 15.887 -4.393 1.00 0.00 H new ATOM 495 N LEU A2985 -4.850 16.968 -3.235 1.00 0.00 N ATOM 496 CA LEU A2985 -6.162 17.036 -3.923 1.00 0.00 C ATOM 497 C LEU A2985 -6.987 18.242 -3.411 1.00 0.00 C ATOM 498 O LEU A2985 -7.508 19.044 -4.199 1.00 0.00 O ATOM 499 CB LEU A2985 -6.934 15.705 -3.709 1.00 0.00 C ATOM 500 CG LEU A2985 -8.387 15.626 -4.296 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.393 15.799 -5.834 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.086 14.314 -3.879 1.00 0.00 C ATOM 0 H LEU A2985 -4.681 16.082 -2.758 1.00 0.00 H new ATOM 0 HA LEU A2985 -5.996 17.178 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.347 14.898 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -6.990 15.514 -2.637 1.00 0.00 H new ATOM 0 HG LEU A2985 -8.954 16.456 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.417 15.738 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.971 16.770 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.795 15.010 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.091 14.287 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.514 13.463 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.147 14.264 -2.792 1.00 0.00 H new ATOM 514 N GLN A2986 -7.049 18.379 -2.081 1.00 0.00 N ATOM 515 CA GLN A2986 -7.829 19.436 -1.416 1.00 0.00 C ATOM 516 C GLN A2986 -7.099 20.801 -1.462 1.00 0.00 C ATOM 517 O GLN A2986 -7.748 21.839 -1.532 1.00 0.00 O ATOM 518 CB GLN A2986 -8.127 19.011 0.045 1.00 0.00 C ATOM 519 CG GLN A2986 -8.957 17.712 0.160 1.00 0.00 C ATOM 520 CD GLN A2986 -9.112 17.214 1.599 1.00 0.00 C ATOM 521 OE1 GLN A2986 -10.063 17.562 2.300 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.163 16.400 2.051 1.00 0.00 N ATOM 0 H GLN A2986 -6.560 17.761 -1.433 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.769 19.565 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.184 18.876 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.661 19.818 0.547 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.946 17.883 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.483 16.933 -0.437 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -7.389 16.132 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.209 16.044 3.006 1.00 0.00 H new ATOM 531 N ASN A2987 -5.756 20.794 -1.427 1.00 0.00 N ATOM 532 CA ASN A2987 -4.944 22.040 -1.407 1.00 0.00 C ATOM 533 C ASN A2987 -4.862 22.693 -2.801 1.00 0.00 C ATOM 534 O ASN A2987 -4.706 23.917 -2.900 1.00 0.00 O ATOM 535 CB ASN A2987 -3.525 21.781 -0.820 1.00 0.00 C ATOM 536 CG ASN A2987 -3.488 21.654 0.718 1.00 0.00 C ATOM 537 OD1 ASN A2987 -2.503 22.029 1.355 1.00 0.00 O ATOM 538 ND2 ASN A2987 -4.538 21.108 1.334 1.00 0.00 N ATOM 0 H ASN A2987 -5.200 19.939 -1.412 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.453 22.745 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.124 20.867 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.866 22.595 -1.122 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -4.533 20.996 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -5.346 20.803 0.791 1.00 0.00 H new ATOM 545 N GLN A2988 -4.963 21.873 -3.866 1.00 0.00 N ATOM 546 CA GLN A2988 -4.976 22.374 -5.262 1.00 0.00 C ATOM 547 C GLN A2988 -6.367 22.929 -5.634 1.00 0.00 C ATOM 548 O GLN A2988 -6.489 24.060 -6.112 1.00 0.00 O ATOM 549 CB GLN A2988 -4.566 21.260 -6.273 1.00 0.00 C ATOM 550 CG GLN A2988 -3.085 20.822 -6.209 1.00 0.00 C ATOM 551 CD GLN A2988 -2.723 19.699 -7.195 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.597 19.641 -7.699 1.00 0.00 O ATOM 553 NE2 GLN A2988 -3.641 18.766 -7.447 1.00 0.00 N ATOM 0 H GLN A2988 -5.037 20.859 -3.789 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.244 23.179 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -5.194 20.386 -6.100 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.780 21.611 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.452 21.686 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.858 20.489 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -4.565 18.832 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -3.419 17.986 -8.066 1.00 0.00 H new ATOM 562 N LEU A2989 -7.420 22.115 -5.403 1.00 0.00 N ATOM 563 CA LEU A2989 -8.796 22.432 -5.868 1.00 0.00 C ATOM 564 C LEU A2989 -9.646 23.046 -4.757 1.00 0.00 C ATOM 565 O LEU A2989 -10.293 24.080 -4.957 1.00 0.00 O ATOM 566 CB LEU A2989 -9.508 21.169 -6.431 1.00 0.00 C ATOM 567 CG LEU A2989 -8.850 20.498 -7.688 1.00 0.00 C ATOM 568 CD1 LEU A2989 -8.414 21.548 -8.736 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.686 19.550 -7.310 1.00 0.00 C ATOM 0 H LEU A2989 -7.347 21.232 -4.897 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.692 23.166 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.563 20.425 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.533 21.440 -6.685 1.00 0.00 H new ATOM 0 HG LEU A2989 -9.620 19.879 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.963 21.044 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -9.284 22.115 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.687 22.227 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -7.265 19.112 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.913 20.113 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -8.059 18.757 -6.662 1.00 0.00 H new ATOM 581 N GLY A2990 -9.646 22.389 -3.585 1.00 0.00 N ATOM 582 CA GLY A2990 -10.547 22.741 -2.477 1.00 0.00 C ATOM 583 C GLY A2990 -11.800 21.878 -2.451 1.00 0.00 C ATOM 584 O GLY A2990 -12.744 22.155 -1.701 1.00 0.00 O ATOM 0 H GLY A2990 -9.026 21.605 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.015 22.633 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.833 23.789 -2.564 1.00 0.00 H new ATOM 588 N ILE A2991 -11.794 20.830 -3.287 1.00 0.00 N ATOM 589 CA ILE A2991 -12.874 19.843 -3.366 1.00 0.00 C ATOM 590 C ILE A2991 -12.864 18.967 -2.095 1.00 0.00 C ATOM 591 O ILE A2991 -11.823 18.402 -1.734 1.00 0.00 O ATOM 592 CB ILE A2991 -12.726 18.978 -4.700 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.924 17.959 -4.931 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.346 18.260 -4.772 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.762 16.559 -4.335 1.00 0.00 C ATOM 0 H ILE A2991 -11.028 20.644 -3.934 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.840 20.346 -3.414 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.777 19.693 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.831 18.401 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.080 17.855 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.284 17.682 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.548 19.003 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.238 17.592 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.645 15.962 -4.562 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.881 16.081 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.644 16.635 -3.254 1.00 0.00 H new ATOM 607 N ARG A2992 -14.016 18.899 -1.390 1.00 0.00 N ATOM 608 CA ARG A2992 -14.175 18.010 -0.229 1.00 0.00 C ATOM 609 C ARG A2992 -14.592 16.605 -0.737 1.00 0.00 C ATOM 610 O ARG A2992 -15.615 16.476 -1.421 1.00 0.00 O ATOM 611 CB ARG A2992 -15.203 18.592 0.810 1.00 0.00 C ATOM 612 CG ARG A2992 -16.674 18.686 0.336 1.00 0.00 C ATOM 613 CD ARG A2992 -17.617 19.292 1.393 1.00 0.00 C ATOM 614 NE ARG A2992 -17.254 20.684 1.738 1.00 0.00 N ATOM 615 CZ ARG A2992 -17.707 21.360 2.817 1.00 0.00 C ATOM 616 NH1 ARG A2992 -18.514 20.782 3.703 1.00 0.00 N ATOM 617 NH2 ARG A2992 -17.331 22.612 3.012 1.00 0.00 N ATOM 0 H ARG A2992 -14.845 19.451 -1.609 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.227 17.930 0.303 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.171 17.974 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.871 19.590 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.719 19.290 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.028 17.689 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -18.641 19.268 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.592 18.679 2.294 1.00 0.00 H new ATOM 0 HE ARG A2992 -16.612 21.171 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -18.801 19.812 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -18.845 21.309 4.511 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -16.701 23.064 2.349 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -17.671 23.126 3.825 1.00 0.00 H new