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 37:sc= 0.201 USER MOD Single : A2971 SER OG : rot 93:sc= 0.329 USER MOD Single : A2986 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.016) USER MOD Single : A2987 ASN : amide:sc= -0.0512 K(o=-0.051,f=-0.66) USER MOD Single : A2988 GLN : amide:sc= -0.542 K(o=-0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.795 6.225 -11.293 1.00 0.00 N ATOM 82 CA ASP A2957 -7.366 6.250 -12.698 1.00 0.00 C ATOM 83 C ASP A2957 -8.528 6.757 -13.576 1.00 0.00 C ATOM 84 O ASP A2957 -9.627 6.211 -13.478 1.00 0.00 O ATOM 85 CB ASP A2957 -6.939 4.810 -13.108 1.00 0.00 C ATOM 86 CG ASP A2957 -6.242 4.727 -14.477 1.00 0.00 C ATOM 87 OD1 ASP A2957 -6.927 4.762 -15.513 1.00 0.00 O ATOM 88 OD2 ASP A2957 -4.998 4.597 -14.522 1.00 0.00 O ATOM 0 HA ASP A2957 -6.519 6.923 -12.834 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.269 4.411 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -7.822 4.171 -13.123 1.00 0.00 H new ATOM 93 N PRO A2958 -8.316 7.788 -14.466 1.00 0.00 N ATOM 94 CA PRO A2958 -9.409 8.354 -15.301 1.00 0.00 C ATOM 95 C PRO A2958 -9.994 7.312 -16.289 1.00 0.00 C ATOM 96 O PRO A2958 -11.187 7.348 -16.593 1.00 0.00 O ATOM 97 CB PRO A2958 -8.731 9.541 -16.042 1.00 0.00 C ATOM 98 CG PRO A2958 -7.273 9.190 -16.052 1.00 0.00 C ATOM 99 CD PRO A2958 -7.021 8.466 -14.740 1.00 0.00 C ATOM 0 HA PRO A2958 -10.266 8.666 -14.704 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -9.120 9.652 -17.054 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -8.909 10.485 -15.527 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.028 8.556 -16.904 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.655 10.084 -16.132 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.203 7.750 -14.827 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.754 9.160 -13.943 1.00 0.00 H new ATOM 107 N LEU A2959 -9.144 6.362 -16.747 1.00 0.00 N ATOM 108 CA LEU A2959 -9.535 5.326 -17.730 1.00 0.00 C ATOM 109 C LEU A2959 -10.167 4.107 -16.998 1.00 0.00 C ATOM 110 O LEU A2959 -10.715 3.207 -17.635 1.00 0.00 O ATOM 111 CB LEU A2959 -8.280 4.949 -18.599 1.00 0.00 C ATOM 112 CG LEU A2959 -8.509 4.377 -20.056 1.00 0.00 C ATOM 113 CD1 LEU A2959 -8.855 2.868 -20.071 1.00 0.00 C ATOM 114 CD2 LEU A2959 -9.580 5.200 -20.815 1.00 0.00 C ATOM 0 H LEU A2959 -8.172 6.293 -16.446 1.00 0.00 H new ATOM 0 HA LEU A2959 -10.300 5.703 -18.408 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -7.659 5.841 -18.688 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -7.701 4.212 -18.042 1.00 0.00 H new ATOM 0 HG LEU A2959 -7.557 4.478 -20.577 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -9.000 2.538 -21.100 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -8.039 2.303 -19.620 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -9.770 2.699 -19.504 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -9.718 4.785 -21.814 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -10.524 5.158 -20.271 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -9.253 6.237 -20.895 1.00 0.00 H new ATOM 126 N ALA A2960 -10.125 4.105 -15.644 1.00 0.00 N ATOM 127 CA ALA A2960 -10.865 3.115 -14.820 1.00 0.00 C ATOM 128 C ALA A2960 -12.393 3.299 -14.969 1.00 0.00 C ATOM 129 O ALA A2960 -13.168 2.385 -14.675 1.00 0.00 O ATOM 130 CB ALA A2960 -10.465 3.209 -13.338 1.00 0.00 C ATOM 0 H ALA A2960 -9.587 4.778 -15.098 1.00 0.00 H new ATOM 0 HA ALA A2960 -10.596 2.124 -15.186 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -11.024 2.471 -12.763 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -9.397 3.015 -13.236 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -10.689 4.208 -12.963 1.00 0.00 H new ATOM 136 N GLY A2961 -12.797 4.500 -15.430 1.00 0.00 N ATOM 137 CA GLY A2961 -14.201 4.843 -15.646 1.00 0.00 C ATOM 138 C GLY A2961 -14.707 5.881 -14.654 1.00 0.00 C ATOM 139 O GLY A2961 -15.857 6.311 -14.745 1.00 0.00 O ATOM 0 H GLY A2961 -12.151 5.255 -15.661 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -14.327 5.223 -16.660 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -14.808 3.942 -15.565 1.00 0.00 H new ATOM 143 N ILE A2962 -13.842 6.278 -13.695 1.00 0.00 N ATOM 144 CA ILE A2962 -14.181 7.287 -12.671 1.00 0.00 C ATOM 145 C ILE A2962 -13.858 8.711 -13.162 1.00 0.00 C ATOM 146 O ILE A2962 -13.296 8.898 -14.252 1.00 0.00 O ATOM 147 CB ILE A2962 -13.484 6.969 -11.277 1.00 0.00 C ATOM 148 CG1 ILE A2962 -11.910 6.884 -11.363 1.00 0.00 C ATOM 149 CG2 ILE A2962 -14.066 5.663 -10.678 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.162 8.218 -11.350 1.00 0.00 C ATOM 0 H ILE A2962 -12.895 5.910 -13.610 1.00 0.00 H new ATOM 0 HA ILE A2962 -15.257 7.236 -12.505 1.00 0.00 H new ATOM 0 HB ILE A2962 -13.705 7.810 -10.620 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.553 6.282 -10.527 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -11.645 6.351 -12.276 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -13.583 5.453 -9.724 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -15.139 5.780 -10.524 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -13.886 4.836 -11.365 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.089 8.034 -11.414 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.478 8.821 -12.201 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -11.385 8.751 -10.426 1.00 0.00 H new ATOM 162 N SER A2963 -14.208 9.703 -12.333 1.00 0.00 N ATOM 163 CA SER A2963 -13.948 11.123 -12.612 1.00 0.00 C ATOM 164 C SER A2963 -13.074 11.733 -11.496 1.00 0.00 C ATOM 165 O SER A2963 -13.505 11.807 -10.339 1.00 0.00 O ATOM 166 CB SER A2963 -15.295 11.877 -12.742 1.00 0.00 C ATOM 167 OG SER A2963 -16.127 11.680 -11.601 1.00 0.00 O ATOM 0 H SER A2963 -14.682 9.543 -11.444 1.00 0.00 H new ATOM 0 HA SER A2963 -13.404 11.218 -13.552 1.00 0.00 H new ATOM 0 HB2 SER A2963 -15.104 12.942 -12.872 1.00 0.00 H new ATOM 0 HB3 SER A2963 -15.817 11.535 -13.636 1.00 0.00 H new ATOM 0 HG SER A2963 -15.573 11.650 -10.793 1.00 0.00 H new ATOM 173 N LEU A2964 -11.827 12.120 -11.847 1.00 0.00 N ATOM 174 CA LEU A2964 -10.925 12.891 -10.959 1.00 0.00 C ATOM 175 C LEU A2964 -10.891 14.377 -11.408 1.00 0.00 C ATOM 176 O LEU A2964 -11.132 14.665 -12.588 1.00 0.00 O ATOM 177 CB LEU A2964 -9.494 12.233 -10.892 1.00 0.00 C ATOM 178 CG LEU A2964 -8.763 11.837 -12.234 1.00 0.00 C ATOM 179 CD1 LEU A2964 -8.305 13.058 -13.068 1.00 0.00 C ATOM 180 CD2 LEU A2964 -7.563 10.909 -11.938 1.00 0.00 C ATOM 0 H LEU A2964 -11.416 11.906 -12.756 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.312 12.868 -9.940 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -8.842 12.921 -10.354 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -9.576 11.331 -10.285 1.00 0.00 H new ATOM 0 HG LEU A2964 -9.498 11.307 -12.840 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.810 12.713 -13.976 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -9.172 13.663 -13.334 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -7.610 13.659 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -7.069 10.644 -12.873 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -6.857 11.424 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -7.916 10.003 -11.445 1.00 0.00 H new ATOM 192 N PRO A2965 -10.624 15.352 -10.477 1.00 0.00 N ATOM 193 CA PRO A2965 -10.617 16.802 -10.808 1.00 0.00 C ATOM 194 C PRO A2965 -9.337 17.260 -11.550 1.00 0.00 C ATOM 195 O PRO A2965 -8.417 16.465 -11.784 1.00 0.00 O ATOM 196 CB PRO A2965 -10.746 17.461 -9.416 1.00 0.00 C ATOM 197 CG PRO A2965 -10.031 16.517 -8.503 1.00 0.00 C ATOM 198 CD PRO A2965 -10.334 15.127 -9.032 1.00 0.00 C ATOM 0 HA PRO A2965 -11.412 17.074 -11.502 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.293 18.452 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.790 17.583 -9.127 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.958 16.710 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.376 16.629 -7.475 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.488 14.453 -8.894 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -11.185 14.680 -8.518 1.00 0.00 H new ATOM 206 N GLU A2966 -9.309 18.559 -11.916 1.00 0.00 N ATOM 207 CA GLU A2966 -8.199 19.168 -12.682 1.00 0.00 C ATOM 208 C GLU A2966 -6.943 19.338 -11.807 1.00 0.00 C ATOM 209 O GLU A2966 -7.049 19.507 -10.585 1.00 0.00 O ATOM 210 CB GLU A2966 -8.623 20.543 -13.249 1.00 0.00 C ATOM 211 CG GLU A2966 -9.867 20.511 -14.163 1.00 0.00 C ATOM 212 CD GLU A2966 -10.235 21.901 -14.709 1.00 0.00 C ATOM 213 OE1 GLU A2966 -10.634 22.776 -13.907 1.00 0.00 O ATOM 214 OE2 GLU A2966 -10.124 22.136 -15.933 1.00 0.00 O ATOM 0 H GLU A2966 -10.055 19.216 -11.689 1.00 0.00 H new ATOM 0 HA GLU A2966 -7.960 18.495 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -8.819 21.219 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -7.788 20.962 -13.810 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -9.683 19.834 -14.997 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -10.713 20.108 -13.606 1.00 0.00 H new ATOM 221 N GLY A2967 -5.762 19.290 -12.456 1.00 0.00 N ATOM 222 CA GLY A2967 -4.473 19.441 -11.768 1.00 0.00 C ATOM 223 C GLY A2967 -4.161 18.281 -10.832 1.00 0.00 C ATOM 224 O GLY A2967 -3.364 18.419 -9.899 1.00 0.00 O ATOM 0 H GLY A2967 -5.679 19.147 -13.462 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -3.679 19.526 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -4.478 20.370 -11.198 1.00 0.00 H new ATOM 228 N VAL A2968 -4.809 17.131 -11.086 1.00 0.00 N ATOM 229 CA VAL A2968 -4.648 15.906 -10.297 1.00 0.00 C ATOM 230 C VAL A2968 -4.360 14.737 -11.253 1.00 0.00 C ATOM 231 O VAL A2968 -5.273 14.159 -11.864 1.00 0.00 O ATOM 232 CB VAL A2968 -5.917 15.618 -9.402 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.777 14.306 -8.609 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.208 16.791 -8.440 1.00 0.00 C ATOM 0 H VAL A2968 -5.468 17.029 -11.858 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.809 16.030 -9.612 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.760 15.511 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -6.672 14.147 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -5.653 13.474 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -4.907 14.367 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.088 16.559 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.351 16.945 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -6.391 17.698 -9.017 1.00 0.00 H new ATOM 244 N ASP A2969 -3.067 14.446 -11.420 1.00 0.00 N ATOM 245 CA ASP A2969 -2.587 13.346 -12.260 1.00 0.00 C ATOM 246 C ASP A2969 -2.533 12.045 -11.414 1.00 0.00 C ATOM 247 O ASP A2969 -2.031 12.072 -10.284 1.00 0.00 O ATOM 248 CB ASP A2969 -1.194 13.713 -12.839 1.00 0.00 C ATOM 249 CG ASP A2969 -0.669 12.682 -13.847 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.027 12.761 -15.043 1.00 0.00 O ATOM 251 OD2 ASP A2969 0.087 11.781 -13.448 1.00 0.00 O ATOM 0 H ASP A2969 -2.317 14.972 -10.972 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.265 13.178 -13.097 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -1.254 14.688 -13.323 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.481 13.807 -12.020 1.00 0.00 H new ATOM 256 N PRO A2970 -3.049 10.883 -11.950 1.00 0.00 N ATOM 257 CA PRO A2970 -3.172 9.609 -11.182 1.00 0.00 C ATOM 258 C PRO A2970 -1.829 8.969 -10.757 1.00 0.00 C ATOM 259 O PRO A2970 -1.836 8.078 -9.901 1.00 0.00 O ATOM 260 CB PRO A2970 -3.947 8.678 -12.156 1.00 0.00 C ATOM 261 CG PRO A2970 -3.613 9.214 -13.509 1.00 0.00 C ATOM 262 CD PRO A2970 -3.583 10.715 -13.332 1.00 0.00 C ATOM 0 HA PRO A2970 -3.669 9.784 -10.228 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.634 7.639 -12.050 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.020 8.708 -11.968 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.651 8.837 -13.858 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.358 8.917 -14.247 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -2.943 11.195 -14.072 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.576 11.153 -13.436 1.00 0.00 H new ATOM 270 N SER A2971 -0.689 9.412 -11.341 1.00 0.00 N ATOM 271 CA SER A2971 0.636 8.817 -11.051 1.00 0.00 C ATOM 272 C SER A2971 1.020 8.994 -9.568 1.00 0.00 C ATOM 273 O SER A2971 1.254 8.002 -8.879 1.00 0.00 O ATOM 274 CB SER A2971 1.722 9.404 -11.972 1.00 0.00 C ATOM 275 OG SER A2971 1.429 9.137 -13.338 1.00 0.00 O ATOM 0 H SER A2971 -0.662 10.178 -12.014 1.00 0.00 H new ATOM 0 HA SER A2971 0.565 7.748 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.794 10.480 -11.815 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.692 8.978 -11.714 1.00 0.00 H new ATOM 0 HG SER A2971 0.935 9.892 -13.720 1.00 0.00 H new ATOM 281 N PHE A2972 1.035 10.251 -9.071 1.00 0.00 N ATOM 282 CA PHE A2972 1.376 10.535 -7.653 1.00 0.00 C ATOM 283 C PHE A2972 0.231 10.094 -6.724 1.00 0.00 C ATOM 284 O PHE A2972 0.451 9.681 -5.589 1.00 0.00 O ATOM 285 CB PHE A2972 1.719 12.042 -7.435 1.00 0.00 C ATOM 286 CG PHE A2972 0.616 13.061 -7.791 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.426 13.355 -6.897 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.626 13.734 -9.011 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.405 14.272 -7.216 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.357 14.652 -9.324 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.374 14.921 -8.428 1.00 0.00 C ATOM 0 H PHE A2972 0.817 11.081 -9.623 1.00 0.00 H new ATOM 0 HA PHE A2972 2.267 9.958 -7.404 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.987 12.182 -6.388 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.604 12.279 -8.025 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.461 12.853 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.414 13.535 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.198 14.481 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.331 15.163 -10.275 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.142 15.638 -8.679 1.00 0.00 H new ATOM 301 N LEU A2973 -0.985 10.173 -7.266 1.00 0.00 N ATOM 302 CA LEU A2973 -2.232 9.976 -6.527 1.00 0.00 C ATOM 303 C LEU A2973 -2.415 8.496 -6.108 1.00 0.00 C ATOM 304 O LEU A2973 -3.010 8.199 -5.065 1.00 0.00 O ATOM 305 CB LEU A2973 -3.390 10.446 -7.440 1.00 0.00 C ATOM 306 CG LEU A2973 -4.759 10.706 -6.758 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.692 11.915 -5.789 1.00 0.00 C ATOM 308 CD2 LEU A2973 -5.859 10.891 -7.818 1.00 0.00 C ATOM 0 H LEU A2973 -1.133 10.380 -8.254 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.216 10.555 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.079 11.365 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.535 9.696 -8.217 1.00 0.00 H new ATOM 0 HG LEU A2973 -5.011 9.832 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.669 12.068 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.952 11.719 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -4.408 12.810 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.814 11.073 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.612 11.741 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -5.932 9.991 -8.428 1.00 0.00 H new ATOM 320 N ALA A2974 -1.915 7.587 -6.967 1.00 0.00 N ATOM 321 CA ALA A2974 -1.974 6.131 -6.746 1.00 0.00 C ATOM 322 C ALA A2974 -0.684 5.612 -6.095 1.00 0.00 C ATOM 323 O ALA A2974 -0.736 4.876 -5.106 1.00 0.00 O ATOM 324 CB ALA A2974 -2.223 5.412 -8.085 1.00 0.00 C ATOM 0 H ALA A2974 -1.455 7.846 -7.840 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.798 5.921 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -2.266 4.336 -7.918 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -3.168 5.751 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.412 5.639 -8.777 1.00 0.00 H new ATOM 330 N ALA A2975 0.473 6.001 -6.678 1.00 0.00 N ATOM 331 CA ALA A2975 1.794 5.430 -6.320 1.00 0.00 C ATOM 332 C ALA A2975 2.251 5.836 -4.909 1.00 0.00 C ATOM 333 O ALA A2975 2.779 5.007 -4.163 1.00 0.00 O ATOM 334 CB ALA A2975 2.856 5.837 -7.353 1.00 0.00 C ATOM 0 H ALA A2975 0.519 6.715 -7.405 1.00 0.00 H new ATOM 0 HA ALA A2975 1.678 4.346 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A2975 3.819 5.409 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.567 5.468 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A2975 2.937 6.924 -7.383 1.00 0.00 H new ATOM 340 N LEU A2976 2.063 7.122 -4.581 1.00 0.00 N ATOM 341 CA LEU A2976 2.434 7.699 -3.273 1.00 0.00 C ATOM 342 C LEU A2976 1.298 7.430 -2.240 1.00 0.00 C ATOM 343 O LEU A2976 0.159 7.175 -2.659 1.00 0.00 O ATOM 344 CB LEU A2976 2.712 9.217 -3.449 1.00 0.00 C ATOM 345 CG LEU A2976 3.789 9.626 -4.503 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.961 11.163 -4.540 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.142 8.917 -4.246 1.00 0.00 C ATOM 0 H LEU A2976 1.646 7.800 -5.219 1.00 0.00 H new ATOM 0 HA LEU A2976 3.341 7.230 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.774 9.704 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A2976 3.015 9.620 -2.482 1.00 0.00 H new ATOM 0 HG LEU A2976 3.436 9.298 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.716 11.427 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A2976 3.012 11.629 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A2976 4.276 11.518 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.865 9.228 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.512 9.186 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.003 7.837 -4.300 1.00 0.00 H new ATOM 359 N PRO A2977 1.582 7.471 -0.877 1.00 0.00 N ATOM 360 CA PRO A2977 0.590 7.087 0.182 1.00 0.00 C ATOM 361 C PRO A2977 -0.678 7.978 0.211 1.00 0.00 C ATOM 362 O PRO A2977 -0.786 8.955 -0.535 1.00 0.00 O ATOM 363 CB PRO A2977 1.395 7.217 1.506 1.00 0.00 C ATOM 364 CG PRO A2977 2.495 8.181 1.183 1.00 0.00 C ATOM 365 CD PRO A2977 2.877 7.885 -0.253 1.00 0.00 C ATOM 0 HA PRO A2977 0.196 6.087 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.768 7.587 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.793 6.254 1.825 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.160 9.212 1.296 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.345 8.046 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.299 8.761 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.624 7.094 -0.315 1.00 0.00 H new ATOM 373 N ASP A2978 -1.617 7.650 1.116 1.00 0.00 N ATOM 374 CA ASP A2978 -2.912 8.362 1.211 1.00 0.00 C ATOM 375 C ASP A2978 -2.752 9.803 1.723 1.00 0.00 C ATOM 376 O ASP A2978 -3.538 10.673 1.359 1.00 0.00 O ATOM 377 CB ASP A2978 -3.923 7.581 2.088 1.00 0.00 C ATOM 378 CG ASP A2978 -5.318 8.245 2.181 1.00 0.00 C ATOM 379 OD1 ASP A2978 -5.931 8.525 1.125 1.00 0.00 O ATOM 380 OD2 ASP A2978 -5.812 8.486 3.303 1.00 0.00 O ATOM 0 H ASP A2978 -1.507 6.896 1.794 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.308 8.420 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.037 6.575 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -3.513 7.478 3.093 1.00 0.00 H new ATOM 385 N ASP A2979 -1.695 10.048 2.504 1.00 0.00 N ATOM 386 CA ASP A2979 -1.521 11.307 3.255 1.00 0.00 C ATOM 387 C ASP A2979 -1.363 12.522 2.320 1.00 0.00 C ATOM 388 O ASP A2979 -2.148 13.486 2.399 1.00 0.00 O ATOM 389 CB ASP A2979 -0.308 11.188 4.208 1.00 0.00 C ATOM 390 CG ASP A2979 -0.496 10.097 5.273 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.230 8.912 4.970 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.910 10.413 6.409 1.00 0.00 O ATOM 0 H ASP A2979 -0.933 9.383 2.637 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.424 11.473 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.587 10.971 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.143 12.146 4.701 1.00 0.00 H new ATOM 397 N ILE A2980 -0.393 12.455 1.397 1.00 0.00 N ATOM 398 CA ILE A2980 -0.139 13.572 0.468 1.00 0.00 C ATOM 399 C ILE A2980 -1.203 13.605 -0.645 1.00 0.00 C ATOM 400 O ILE A2980 -1.572 14.675 -1.089 1.00 0.00 O ATOM 401 CB ILE A2980 1.322 13.595 -0.150 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.502 12.567 -1.310 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.390 13.376 0.950 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.355 11.123 -0.900 1.00 0.00 C ATOM 0 H ILE A2980 0.223 11.652 1.272 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.211 14.476 1.072 1.00 0.00 H new ATOM 0 HB ILE A2980 1.463 14.585 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.771 12.786 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.489 12.707 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.383 13.396 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.312 14.168 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.227 12.410 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.496 10.482 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.104 10.881 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.359 10.961 -0.488 1.00 0.00 H new ATOM 416 N ARG A2981 -1.724 12.420 -1.054 1.00 0.00 N ATOM 417 CA ARG A2981 -2.670 12.324 -2.187 1.00 0.00 C ATOM 418 C ARG A2981 -4.006 13.022 -1.831 1.00 0.00 C ATOM 419 O ARG A2981 -4.595 13.726 -2.664 1.00 0.00 O ATOM 420 CB ARG A2981 -2.850 10.823 -2.645 1.00 0.00 C ATOM 421 CG ARG A2981 -3.794 9.924 -1.802 1.00 0.00 C ATOM 422 CD ARG A2981 -5.290 9.985 -2.180 1.00 0.00 C ATOM 423 NE ARG A2981 -5.586 9.255 -3.419 1.00 0.00 N ATOM 424 CZ ARG A2981 -6.751 9.307 -4.087 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.696 10.181 -3.763 1.00 0.00 N ATOM 426 NH2 ARG A2981 -6.951 8.501 -5.100 1.00 0.00 N ATOM 0 H ARG A2981 -1.504 11.525 -0.617 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.260 12.853 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -3.217 10.826 -3.671 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -1.865 10.356 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.457 8.891 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -3.691 10.203 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.884 9.570 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.590 11.026 -2.295 1.00 0.00 H new ATOM 0 HE ARG A2981 -4.850 8.662 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -7.546 10.832 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.572 10.202 -4.285 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -6.225 7.840 -5.377 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -7.833 8.534 -5.612 1.00 0.00 H new ATOM 440 N ARG A2982 -4.449 12.835 -0.567 1.00 0.00 N ATOM 441 CA ARG A2982 -5.700 13.421 -0.066 1.00 0.00 C ATOM 442 C ARG A2982 -5.517 14.925 0.184 1.00 0.00 C ATOM 443 O ARG A2982 -6.420 15.703 -0.120 1.00 0.00 O ATOM 444 CB ARG A2982 -6.206 12.692 1.220 1.00 0.00 C ATOM 445 CG ARG A2982 -5.361 12.910 2.492 1.00 0.00 C ATOM 446 CD ARG A2982 -5.775 12.003 3.658 1.00 0.00 C ATOM 447 NE ARG A2982 -4.919 12.228 4.838 1.00 0.00 N ATOM 448 CZ ARG A2982 -4.532 11.279 5.720 1.00 0.00 C ATOM 449 NH1 ARG A2982 -4.913 10.024 5.575 1.00 0.00 N ATOM 450 NH2 ARG A2982 -3.760 11.606 6.745 1.00 0.00 N ATOM 0 H ARG A2982 -3.949 12.277 0.125 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.466 13.286 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.225 13.020 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.250 11.622 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.311 12.732 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.446 13.951 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.816 12.194 3.919 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.709 10.959 3.351 1.00 0.00 H new ATOM 0 HE ARG A2982 -4.591 13.180 5.003 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -5.507 9.759 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -4.613 9.319 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -3.458 12.573 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -3.467 10.891 7.411 1.00 0.00 H new ATOM 464 N GLU A2983 -4.331 15.339 0.702 1.00 0.00 N ATOM 465 CA GLU A2983 -4.094 16.752 1.044 1.00 0.00 C ATOM 466 C GLU A2983 -3.906 17.607 -0.219 1.00 0.00 C ATOM 467 O GLU A2983 -4.425 18.707 -0.262 1.00 0.00 O ATOM 468 CB GLU A2983 -2.911 16.940 2.030 1.00 0.00 C ATOM 469 CG GLU A2983 -1.508 16.811 1.430 1.00 0.00 C ATOM 470 CD GLU A2983 -0.398 16.968 2.475 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.022 18.112 2.736 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.038 15.950 3.053 1.00 0.00 O ATOM 0 H GLU A2983 -3.541 14.721 0.887 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.988 17.100 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.999 17.925 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -3.011 16.206 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.412 15.838 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.379 17.565 0.654 1.00 0.00 H new ATOM 479 N VAL A2984 -3.210 17.078 -1.257 1.00 0.00 N ATOM 480 CA VAL A2984 -3.019 17.806 -2.541 1.00 0.00 C ATOM 481 C VAL A2984 -4.366 17.973 -3.264 1.00 0.00 C ATOM 482 O VAL A2984 -4.613 18.994 -3.892 1.00 0.00 O ATOM 483 CB VAL A2984 -1.955 17.126 -3.501 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.568 17.042 -2.820 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.422 15.738 -4.012 1.00 0.00 C ATOM 0 H VAL A2984 -2.774 16.156 -1.232 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.615 18.785 -2.284 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.862 17.765 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.143 16.572 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.223 18.046 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.645 16.449 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.659 15.315 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.583 15.073 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.353 15.849 -4.567 1.00 0.00 H new ATOM 495 N LEU A2985 -5.242 16.965 -3.118 1.00 0.00 N ATOM 496 CA LEU A2985 -6.616 17.005 -3.639 1.00 0.00 C ATOM 497 C LEU A2985 -7.391 18.208 -3.018 1.00 0.00 C ATOM 498 O LEU A2985 -7.897 19.091 -3.735 1.00 0.00 O ATOM 499 CB LEU A2985 -7.289 15.645 -3.308 1.00 0.00 C ATOM 500 CG LEU A2985 -8.638 15.320 -4.016 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.460 15.240 -5.549 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.262 14.014 -3.462 1.00 0.00 C ATOM 0 H LEU A2985 -5.015 16.097 -2.633 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.621 17.152 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.582 14.852 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.456 15.605 -2.232 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.327 16.137 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.419 15.012 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -8.093 16.196 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.743 14.456 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.202 13.814 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.575 13.184 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.448 14.124 -2.394 1.00 0.00 H new ATOM 514 N GLN A2986 -7.369 18.261 -1.672 1.00 0.00 N ATOM 515 CA GLN A2986 -8.079 19.278 -0.865 1.00 0.00 C ATOM 516 C GLN A2986 -7.465 20.689 -1.028 1.00 0.00 C ATOM 517 O GLN A2986 -8.195 21.674 -1.093 1.00 0.00 O ATOM 518 CB GLN A2986 -8.035 18.876 0.632 1.00 0.00 C ATOM 519 CG GLN A2986 -8.723 17.535 0.972 1.00 0.00 C ATOM 520 CD GLN A2986 -8.401 16.997 2.377 1.00 0.00 C ATOM 521 OE1 GLN A2986 -9.228 16.346 3.007 1.00 0.00 O ATOM 522 NE2 GLN A2986 -7.187 17.231 2.869 1.00 0.00 N ATOM 0 H GLN A2986 -6.851 17.590 -1.105 1.00 0.00 H new ATOM 0 HA GLN A2986 -9.108 19.317 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -6.993 18.822 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.504 19.666 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.802 17.661 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.426 16.790 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -6.514 17.775 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -6.929 16.867 3.786 1.00 0.00 H new ATOM 531 N ASN A2987 -6.124 20.764 -1.081 1.00 0.00 N ATOM 532 CA ASN A2987 -5.384 22.046 -1.073 1.00 0.00 C ATOM 533 C ASN A2987 -5.460 22.740 -2.440 1.00 0.00 C ATOM 534 O ASN A2987 -5.622 23.959 -2.507 1.00 0.00 O ATOM 535 CB ASN A2987 -3.898 21.837 -0.647 1.00 0.00 C ATOM 536 CG ASN A2987 -3.710 21.446 0.832 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.498 21.821 1.698 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.662 20.685 1.130 1.00 0.00 N ATOM 0 H ASN A2987 -5.521 19.943 -1.131 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.860 22.693 -0.337 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.458 21.061 -1.274 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.344 22.756 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.497 20.399 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -2.022 20.387 0.394 1.00 0.00 H new ATOM 545 N GLN A2988 -5.331 21.955 -3.528 1.00 0.00 N ATOM 546 CA GLN A2988 -5.339 22.489 -4.906 1.00 0.00 C ATOM 547 C GLN A2988 -6.742 22.984 -5.305 1.00 0.00 C ATOM 548 O GLN A2988 -6.921 24.166 -5.630 1.00 0.00 O ATOM 549 CB GLN A2988 -4.837 21.416 -5.910 1.00 0.00 C ATOM 550 CG GLN A2988 -3.336 21.072 -5.781 1.00 0.00 C ATOM 551 CD GLN A2988 -2.856 19.935 -6.702 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.708 19.931 -7.147 1.00 0.00 O ATOM 553 NE2 GLN A2988 -3.708 18.945 -6.966 1.00 0.00 N ATOM 0 H GLN A2988 -5.219 20.942 -3.479 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.660 23.341 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -5.419 20.505 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -5.031 21.766 -6.924 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.752 21.967 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -3.128 20.797 -4.747 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -4.654 18.971 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -3.414 18.161 -7.549 1.00 0.00 H new ATOM 562 N LEU A2989 -7.736 22.087 -5.226 1.00 0.00 N ATOM 563 CA LEU A2989 -9.097 22.350 -5.744 1.00 0.00 C ATOM 564 C LEU A2989 -9.958 23.066 -4.704 1.00 0.00 C ATOM 565 O LEU A2989 -10.802 23.900 -5.053 1.00 0.00 O ATOM 566 CB LEU A2989 -9.812 21.033 -6.154 1.00 0.00 C ATOM 567 CG LEU A2989 -9.206 20.230 -7.347 1.00 0.00 C ATOM 568 CD1 LEU A2989 -9.013 21.118 -8.600 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.898 19.513 -6.946 1.00 0.00 C ATOM 0 H LEU A2989 -7.626 21.164 -4.806 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.978 22.987 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.836 20.377 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.846 21.273 -6.400 1.00 0.00 H new ATOM 0 HG LEU A2989 -9.928 19.458 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -8.589 20.521 -9.407 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -9.977 21.520 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -8.337 21.940 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -7.506 18.965 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -7.164 20.250 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -8.099 18.817 -6.131 1.00 0.00 H new ATOM 581 N GLY A2990 -9.732 22.720 -3.428 1.00 0.00 N ATOM 582 CA GLY A2990 -10.661 23.068 -2.355 1.00 0.00 C ATOM 583 C GLY A2990 -11.848 22.118 -2.310 1.00 0.00 C ATOM 584 O GLY A2990 -12.909 22.453 -1.767 1.00 0.00 O ATOM 0 H GLY A2990 -8.911 22.199 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.138 23.043 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -11.017 24.088 -2.498 1.00 0.00 H new ATOM 588 N ILE A2991 -11.656 20.926 -2.907 1.00 0.00 N ATOM 589 CA ILE A2991 -12.683 19.882 -2.972 1.00 0.00 C ATOM 590 C ILE A2991 -12.759 19.167 -1.604 1.00 0.00 C ATOM 591 O ILE A2991 -11.728 18.765 -1.039 1.00 0.00 O ATOM 592 CB ILE A2991 -12.405 18.880 -4.184 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.595 17.865 -4.436 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.051 18.140 -4.033 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.594 16.572 -3.609 1.00 0.00 C ATOM 0 H ILE A2991 -10.779 20.664 -3.358 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.657 20.328 -3.173 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.339 19.506 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.532 18.388 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.590 17.592 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -10.906 17.470 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.240 18.868 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.054 17.561 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.460 15.967 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.682 16.011 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.639 16.819 -2.548 1.00 0.00 H new ATOM 607 N ARG A2992 -13.980 19.055 -1.070 1.00 0.00 N ATOM 608 CA ARG A2992 -14.228 18.476 0.252 1.00 0.00 C ATOM 609 C ARG A2992 -14.518 16.966 0.112 1.00 0.00 C ATOM 610 O ARG A2992 -15.356 16.571 -0.710 1.00 0.00 O ATOM 611 CB ARG A2992 -15.403 19.236 0.949 1.00 0.00 C ATOM 612 CG ARG A2992 -16.811 19.065 0.313 1.00 0.00 C ATOM 613 CD ARG A2992 -17.828 20.121 0.796 1.00 0.00 C ATOM 614 NE ARG A2992 -17.561 21.447 0.184 1.00 0.00 N ATOM 615 CZ ARG A2992 -16.901 22.468 0.759 1.00 0.00 C ATOM 616 NH1 ARG A2992 -16.447 22.381 1.996 1.00 0.00 N ATOM 617 NH2 ARG A2992 -16.705 23.581 0.080 1.00 0.00 N ATOM 0 H ARG A2992 -14.827 19.365 -1.546 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.344 18.587 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.455 18.907 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -15.161 20.299 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.722 19.125 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.190 18.070 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -18.838 19.798 0.543 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.782 20.203 1.882 1.00 0.00 H new ATOM 0 HE ARG A2992 -17.911 21.598 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -16.594 21.527 2.534 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -15.949 23.167 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -17.053 23.664 -0.875 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -16.205 24.359 0.510 1.00 0.00 H new