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 180:sc= 0 USER MOD Single : A2971 SER OG : rot 94:sc= 0.509 USER MOD Single : A2986 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A2987 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A2988 GLN : amide:sc= -0.618 K(o=-0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.919 6.688 -10.640 1.00 0.00 N ATOM 82 CA ASP A2957 -7.566 6.713 -12.067 1.00 0.00 C ATOM 83 C ASP A2957 -8.844 6.942 -12.902 1.00 0.00 C ATOM 84 O ASP A2957 -9.878 6.353 -12.584 1.00 0.00 O ATOM 85 CB ASP A2957 -6.887 5.355 -12.408 1.00 0.00 C ATOM 86 CG ASP A2957 -6.279 5.285 -13.822 1.00 0.00 C ATOM 87 OD1 ASP A2957 -7.033 5.059 -14.788 1.00 0.00 O ATOM 88 OD2 ASP A2957 -5.045 5.417 -13.964 1.00 0.00 O ATOM 0 HA ASP A2957 -6.875 7.524 -12.297 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.101 5.162 -11.678 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -7.623 4.558 -12.302 1.00 0.00 H new ATOM 93 N PRO A2958 -8.815 7.799 -13.978 1.00 0.00 N ATOM 94 CA PRO A2958 -10.027 8.118 -14.796 1.00 0.00 C ATOM 95 C PRO A2958 -10.662 6.878 -15.484 1.00 0.00 C ATOM 96 O PRO A2958 -11.880 6.834 -15.687 1.00 0.00 O ATOM 97 CB PRO A2958 -9.510 9.161 -15.824 1.00 0.00 C ATOM 98 CG PRO A2958 -8.027 8.932 -15.881 1.00 0.00 C ATOM 99 CD PRO A2958 -7.627 8.545 -14.474 1.00 0.00 C ATOM 0 HA PRO A2958 -10.841 8.495 -14.177 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -9.971 9.017 -16.801 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -9.742 10.178 -15.508 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.778 8.144 -16.591 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -7.503 9.831 -16.206 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.730 7.926 -14.466 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -7.416 9.420 -13.860 1.00 0.00 H new ATOM 107 N LEU A2959 -9.826 5.866 -15.810 1.00 0.00 N ATOM 108 CA LEU A2959 -10.278 4.614 -16.468 1.00 0.00 C ATOM 109 C LEU A2959 -11.061 3.707 -15.487 1.00 0.00 C ATOM 110 O LEU A2959 -11.792 2.800 -15.914 1.00 0.00 O ATOM 111 CB LEU A2959 -9.057 3.862 -17.065 1.00 0.00 C ATOM 112 CG LEU A2959 -9.367 2.628 -17.976 1.00 0.00 C ATOM 113 CD1 LEU A2959 -10.112 3.039 -19.266 1.00 0.00 C ATOM 114 CD2 LEU A2959 -8.084 1.840 -18.310 1.00 0.00 C ATOM 0 H LEU A2959 -8.823 5.892 -15.626 1.00 0.00 H new ATOM 0 HA LEU A2959 -10.960 4.878 -17.276 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -8.470 4.574 -17.645 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -8.428 3.527 -16.241 1.00 0.00 H new ATOM 0 HG LEU A2959 -10.028 1.972 -17.410 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -10.308 2.154 -19.871 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -11.056 3.516 -19.004 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -9.498 3.737 -19.834 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -8.334 0.989 -18.944 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -7.384 2.490 -18.835 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -7.626 1.483 -17.388 1.00 0.00 H new ATOM 126 N ALA A2960 -10.921 3.977 -14.173 1.00 0.00 N ATOM 127 CA ALA A2960 -11.680 3.275 -13.115 1.00 0.00 C ATOM 128 C ALA A2960 -13.185 3.603 -13.186 1.00 0.00 C ATOM 129 O ALA A2960 -14.006 2.887 -12.612 1.00 0.00 O ATOM 130 CB ALA A2960 -11.128 3.636 -11.732 1.00 0.00 C ATOM 0 H ALA A2960 -10.281 4.686 -13.815 1.00 0.00 H new ATOM 0 HA ALA A2960 -11.561 2.204 -13.279 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -11.697 3.111 -10.965 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.080 3.343 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.213 4.711 -11.575 1.00 0.00 H new ATOM 136 N GLY A2961 -13.524 4.688 -13.912 1.00 0.00 N ATOM 137 CA GLY A2961 -14.908 5.158 -14.041 1.00 0.00 C ATOM 138 C GLY A2961 -15.198 6.389 -13.188 1.00 0.00 C ATOM 139 O GLY A2961 -16.366 6.752 -12.999 1.00 0.00 O ATOM 0 H GLY A2961 -12.847 5.256 -14.420 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.112 5.390 -15.086 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -15.587 4.355 -13.754 1.00 0.00 H new ATOM 143 N ILE A2962 -14.132 7.032 -12.671 1.00 0.00 N ATOM 144 CA ILE A2962 -14.239 8.280 -11.883 1.00 0.00 C ATOM 145 C ILE A2962 -13.673 9.473 -12.672 1.00 0.00 C ATOM 146 O ILE A2962 -12.837 9.302 -13.562 1.00 0.00 O ATOM 147 CB ILE A2962 -13.523 8.167 -10.481 1.00 0.00 C ATOM 148 CG1 ILE A2962 -12.042 7.681 -10.632 1.00 0.00 C ATOM 149 CG2 ILE A2962 -14.331 7.253 -9.529 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.253 7.593 -9.332 1.00 0.00 C ATOM 0 H ILE A2962 -13.173 6.703 -12.787 1.00 0.00 H new ATOM 0 HA ILE A2962 -15.300 8.445 -11.696 1.00 0.00 H new ATOM 0 HB ILE A2962 -13.487 9.162 -10.038 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -12.045 6.698 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -11.521 8.358 -11.309 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -13.821 7.188 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -15.328 7.670 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -14.414 6.257 -9.964 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.241 7.248 -9.543 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.210 8.577 -8.865 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -11.742 6.891 -8.656 1.00 0.00 H new ATOM 162 N SER A2963 -14.156 10.679 -12.339 1.00 0.00 N ATOM 163 CA SER A2963 -13.735 11.932 -12.976 1.00 0.00 C ATOM 164 C SER A2963 -12.815 12.717 -12.027 1.00 0.00 C ATOM 165 O SER A2963 -13.288 13.318 -11.050 1.00 0.00 O ATOM 166 CB SER A2963 -14.975 12.770 -13.362 1.00 0.00 C ATOM 167 OG SER A2963 -15.832 12.039 -14.222 1.00 0.00 O ATOM 0 H SER A2963 -14.858 10.811 -11.611 1.00 0.00 H new ATOM 0 HA SER A2963 -13.178 11.706 -13.886 1.00 0.00 H new ATOM 0 HB2 SER A2963 -15.517 13.060 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A2963 -14.658 13.690 -13.854 1.00 0.00 H new ATOM 0 HG SER A2963 -16.611 12.588 -14.452 1.00 0.00 H new ATOM 173 N LEU A2964 -11.497 12.653 -12.292 1.00 0.00 N ATOM 174 CA LEU A2964 -10.489 13.461 -11.578 1.00 0.00 C ATOM 175 C LEU A2964 -10.673 14.960 -11.935 1.00 0.00 C ATOM 176 O LEU A2964 -10.996 15.275 -13.091 1.00 0.00 O ATOM 177 CB LEU A2964 -9.035 12.993 -11.924 1.00 0.00 C ATOM 178 CG LEU A2964 -8.504 11.711 -11.190 1.00 0.00 C ATOM 179 CD1 LEU A2964 -9.348 10.460 -11.503 1.00 0.00 C ATOM 180 CD2 LEU A2964 -7.011 11.470 -11.509 1.00 0.00 C ATOM 0 H LEU A2964 -11.101 12.041 -13.006 1.00 0.00 H new ATOM 0 HA LEU A2964 -10.634 13.324 -10.507 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -8.984 12.814 -12.998 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -8.354 13.815 -11.705 1.00 0.00 H new ATOM 0 HG LEU A2964 -8.602 11.895 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -8.938 9.602 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -10.377 10.627 -11.185 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -9.327 10.266 -12.575 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -6.667 10.576 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -6.886 11.335 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -6.426 12.329 -11.181 1.00 0.00 H new ATOM 192 N PRO A2965 -10.469 15.905 -10.955 1.00 0.00 N ATOM 193 CA PRO A2965 -10.560 17.364 -11.223 1.00 0.00 C ATOM 194 C PRO A2965 -9.419 17.858 -12.151 1.00 0.00 C ATOM 195 O PRO A2965 -8.438 17.133 -12.376 1.00 0.00 O ATOM 196 CB PRO A2965 -10.499 18.013 -9.811 1.00 0.00 C ATOM 197 CG PRO A2965 -9.866 16.978 -8.916 1.00 0.00 C ATOM 198 CD PRO A2965 -10.141 15.620 -9.528 1.00 0.00 C ATOM 0 HA PRO A2965 -11.471 17.632 -11.757 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -9.911 18.930 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.496 18.279 -9.459 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.793 17.150 -8.830 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.280 17.036 -7.909 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.273 14.965 -9.445 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.968 15.119 -9.024 1.00 0.00 H new ATOM 206 N GLU A2966 -9.573 19.091 -12.682 1.00 0.00 N ATOM 207 CA GLU A2966 -8.615 19.695 -13.637 1.00 0.00 C ATOM 208 C GLU A2966 -7.199 19.778 -13.032 1.00 0.00 C ATOM 209 O GLU A2966 -7.040 20.209 -11.889 1.00 0.00 O ATOM 210 CB GLU A2966 -9.096 21.111 -14.056 1.00 0.00 C ATOM 211 CG GLU A2966 -10.409 21.133 -14.863 1.00 0.00 C ATOM 212 CD GLU A2966 -10.899 22.562 -15.170 1.00 0.00 C ATOM 213 OE1 GLU A2966 -10.340 23.210 -16.080 1.00 0.00 O ATOM 214 OE2 GLU A2966 -11.828 23.050 -14.485 1.00 0.00 O ATOM 0 H GLU A2966 -10.364 19.696 -12.461 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.571 19.054 -14.518 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -9.227 21.716 -13.159 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -8.313 21.585 -14.648 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -10.263 20.595 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -11.181 20.601 -14.307 1.00 0.00 H new ATOM 221 N GLY A2967 -6.193 19.337 -13.811 1.00 0.00 N ATOM 222 CA GLY A2967 -4.789 19.402 -13.400 1.00 0.00 C ATOM 223 C GLY A2967 -4.394 18.341 -12.381 1.00 0.00 C ATOM 224 O GLY A2967 -3.454 18.548 -11.608 1.00 0.00 O ATOM 0 H GLY A2967 -6.335 18.930 -14.735 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.157 19.297 -14.282 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -4.589 20.388 -12.980 1.00 0.00 H new ATOM 228 N VAL A2968 -5.111 17.200 -12.376 1.00 0.00 N ATOM 229 CA VAL A2968 -4.786 16.046 -11.504 1.00 0.00 C ATOM 230 C VAL A2968 -4.472 14.822 -12.362 1.00 0.00 C ATOM 231 O VAL A2968 -5.226 14.481 -13.279 1.00 0.00 O ATOM 232 CB VAL A2968 -5.948 15.704 -10.507 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.579 14.535 -9.563 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.341 16.945 -9.707 1.00 0.00 C ATOM 0 H VAL A2968 -5.926 17.049 -12.970 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.915 16.324 -10.910 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.804 15.378 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -6.413 14.333 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -5.365 13.644 -10.153 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -4.699 14.803 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.148 16.694 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.480 17.301 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -6.676 17.727 -10.389 1.00 0.00 H new ATOM 244 N ASP A2969 -3.365 14.159 -12.032 1.00 0.00 N ATOM 245 CA ASP A2969 -2.858 13.001 -12.763 1.00 0.00 C ATOM 246 C ASP A2969 -2.780 11.790 -11.805 1.00 0.00 C ATOM 247 O ASP A2969 -2.289 11.936 -10.674 1.00 0.00 O ATOM 248 CB ASP A2969 -1.466 13.351 -13.345 1.00 0.00 C ATOM 249 CG ASP A2969 -0.968 12.335 -14.380 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.369 12.431 -15.553 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.175 11.450 -14.024 1.00 0.00 O ATOM 0 H ASP A2969 -2.785 14.417 -11.234 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.523 12.740 -13.586 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -1.511 14.337 -13.807 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.744 13.413 -12.530 1.00 0.00 H new ATOM 256 N PRO A2970 -3.250 10.572 -12.227 1.00 0.00 N ATOM 257 CA PRO A2970 -3.314 9.379 -11.340 1.00 0.00 C ATOM 258 C PRO A2970 -1.940 8.797 -10.935 1.00 0.00 C ATOM 259 O PRO A2970 -1.901 7.904 -10.088 1.00 0.00 O ATOM 260 CB PRO A2970 -4.136 8.363 -12.168 1.00 0.00 C ATOM 261 CG PRO A2970 -3.853 8.742 -13.582 1.00 0.00 C ATOM 262 CD PRO A2970 -3.790 10.256 -13.580 1.00 0.00 C ATOM 0 HA PRO A2970 -3.757 9.635 -10.378 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.830 7.338 -11.960 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.200 8.430 -11.941 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.914 8.309 -13.926 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.634 8.381 -14.251 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.141 10.633 -14.371 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.773 10.700 -13.735 1.00 0.00 H new ATOM 270 N SER A2971 -0.830 9.299 -11.526 1.00 0.00 N ATOM 271 CA SER A2971 0.522 8.801 -11.205 1.00 0.00 C ATOM 272 C SER A2971 0.893 9.118 -9.744 1.00 0.00 C ATOM 273 O SER A2971 1.223 8.202 -8.990 1.00 0.00 O ATOM 274 CB SER A2971 1.571 9.358 -12.185 1.00 0.00 C ATOM 275 OG SER A2971 1.273 8.963 -13.521 1.00 0.00 O ATOM 0 H SER A2971 -0.847 10.044 -12.223 1.00 0.00 H new ATOM 0 HA SER A2971 0.515 7.717 -11.318 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.596 10.446 -12.119 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.562 8.999 -11.907 1.00 0.00 H new ATOM 0 HG SER A2971 0.751 9.666 -13.961 1.00 0.00 H new ATOM 281 N PHE A2972 0.818 10.410 -9.335 1.00 0.00 N ATOM 282 CA PHE A2972 1.069 10.792 -7.921 1.00 0.00 C ATOM 283 C PHE A2972 -0.090 10.329 -7.022 1.00 0.00 C ATOM 284 O PHE A2972 0.108 10.000 -5.850 1.00 0.00 O ATOM 285 CB PHE A2972 1.331 12.324 -7.755 1.00 0.00 C ATOM 286 CG PHE A2972 0.152 13.278 -8.043 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.768 13.627 -7.039 1.00 0.00 C ATOM 288 CD2 PHE A2972 -0.013 13.865 -9.298 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.806 14.503 -7.291 1.00 0.00 C ATOM 290 CE2 PHE A2972 -1.057 14.739 -9.545 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.949 15.065 -8.542 1.00 0.00 C ATOM 0 H PHE A2972 0.590 11.191 -9.950 1.00 0.00 H new ATOM 0 HA PHE A2972 1.980 10.283 -7.606 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.666 12.500 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.156 12.599 -8.413 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.661 13.202 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A2972 0.685 13.634 -10.089 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.507 14.748 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -1.175 15.169 -10.529 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.755 15.757 -8.737 1.00 0.00 H new ATOM 301 N LEU A2973 -1.298 10.280 -7.607 1.00 0.00 N ATOM 302 CA LEU A2973 -2.533 9.966 -6.873 1.00 0.00 C ATOM 303 C LEU A2973 -2.589 8.457 -6.496 1.00 0.00 C ATOM 304 O LEU A2973 -3.339 8.073 -5.603 1.00 0.00 O ATOM 305 CB LEU A2973 -3.779 10.410 -7.715 1.00 0.00 C ATOM 306 CG LEU A2973 -4.968 11.048 -6.918 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.536 12.351 -6.207 1.00 0.00 C ATOM 308 CD2 LEU A2973 -6.183 11.315 -7.831 1.00 0.00 C ATOM 0 H LEU A2973 -1.445 10.457 -8.601 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.544 10.524 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.446 11.128 -8.465 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.156 9.540 -8.252 1.00 0.00 H new ATOM 0 HG LEU A2973 -5.266 10.325 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.384 12.767 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.729 12.133 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -4.190 13.072 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.988 11.757 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.895 12.001 -8.628 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -6.525 10.376 -8.266 1.00 0.00 H new ATOM 320 N ALA A2974 -1.829 7.613 -7.222 1.00 0.00 N ATOM 321 CA ALA A2974 -1.670 6.177 -6.901 1.00 0.00 C ATOM 322 C ALA A2974 -0.382 5.910 -6.096 1.00 0.00 C ATOM 323 O ALA A2974 -0.412 5.200 -5.084 1.00 0.00 O ATOM 324 CB ALA A2974 -1.673 5.345 -8.190 1.00 0.00 C ATOM 0 H ALA A2974 -1.307 7.906 -8.048 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.514 5.881 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.555 4.290 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.617 5.491 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -0.849 5.662 -8.829 1.00 0.00 H new ATOM 330 N ALA A2975 0.741 6.488 -6.573 1.00 0.00 N ATOM 331 CA ALA A2975 2.101 6.177 -6.072 1.00 0.00 C ATOM 332 C ALA A2975 2.312 6.653 -4.630 1.00 0.00 C ATOM 333 O ALA A2975 2.836 5.906 -3.790 1.00 0.00 O ATOM 334 CB ALA A2975 3.166 6.788 -6.996 1.00 0.00 C ATOM 0 H ALA A2975 0.732 7.185 -7.318 1.00 0.00 H new ATOM 0 HA ALA A2975 2.204 5.092 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.159 6.550 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.056 6.378 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.040 7.870 -7.031 1.00 0.00 H new ATOM 340 N LEU A2976 1.918 7.909 -4.356 1.00 0.00 N ATOM 341 CA LEU A2976 2.038 8.505 -3.014 1.00 0.00 C ATOM 342 C LEU A2976 1.001 7.863 -2.061 1.00 0.00 C ATOM 343 O LEU A2976 -0.138 7.609 -2.487 1.00 0.00 O ATOM 344 CB LEU A2976 1.826 10.045 -3.069 1.00 0.00 C ATOM 345 CG LEU A2976 2.736 10.853 -4.052 1.00 0.00 C ATOM 346 CD1 LEU A2976 2.389 12.358 -4.015 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.242 10.624 -3.775 1.00 0.00 C ATOM 0 H LEU A2976 1.511 8.534 -5.051 1.00 0.00 H new ATOM 0 HA LEU A2976 3.043 8.312 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A2976 0.786 10.234 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A2976 1.974 10.443 -2.065 1.00 0.00 H new ATOM 0 HG LEU A2976 2.535 10.479 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A2976 3.036 12.898 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A2976 1.348 12.499 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A2976 2.538 12.741 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A2976 4.834 11.205 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A2976 4.477 10.940 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.476 9.566 -3.889 1.00 0.00 H new ATOM 359 N PRO A2977 1.372 7.575 -0.766 1.00 0.00 N ATOM 360 CA PRO A2977 0.418 7.043 0.241 1.00 0.00 C ATOM 361 C PRO A2977 -0.716 8.048 0.518 1.00 0.00 C ATOM 362 O PRO A2977 -0.547 9.253 0.316 1.00 0.00 O ATOM 363 CB PRO A2977 1.294 6.791 1.493 1.00 0.00 C ATOM 364 CG PRO A2977 2.475 7.696 1.309 1.00 0.00 C ATOM 365 CD PRO A2977 2.727 7.753 -0.182 1.00 0.00 C ATOM 0 HA PRO A2977 -0.087 6.136 -0.091 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.753 7.025 2.410 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.600 5.747 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.272 8.689 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.347 7.312 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.171 8.703 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.410 6.967 -0.505 1.00 0.00 H new ATOM 373 N ASP A2978 -1.845 7.543 1.030 1.00 0.00 N ATOM 374 CA ASP A2978 -3.126 8.283 1.041 1.00 0.00 C ATOM 375 C ASP A2978 -3.098 9.575 1.883 1.00 0.00 C ATOM 376 O ASP A2978 -3.963 10.414 1.695 1.00 0.00 O ATOM 377 CB ASP A2978 -4.292 7.360 1.484 1.00 0.00 C ATOM 378 CG ASP A2978 -4.254 6.940 2.962 1.00 0.00 C ATOM 379 OD1 ASP A2978 -3.397 6.112 3.332 1.00 0.00 O ATOM 380 OD2 ASP A2978 -5.099 7.417 3.748 1.00 0.00 O ATOM 0 H ASP A2978 -1.903 6.614 1.448 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.291 8.604 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -5.235 7.871 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.282 6.463 0.865 1.00 0.00 H new ATOM 385 N ASP A2979 -2.099 9.735 2.777 1.00 0.00 N ATOM 386 CA ASP A2979 -2.007 10.907 3.682 1.00 0.00 C ATOM 387 C ASP A2979 -1.675 12.212 2.920 1.00 0.00 C ATOM 388 O ASP A2979 -2.462 13.183 2.932 1.00 0.00 O ATOM 389 CB ASP A2979 -0.933 10.635 4.773 1.00 0.00 C ATOM 390 CG ASP A2979 -0.677 11.836 5.708 1.00 0.00 C ATOM 391 OD1 ASP A2979 -1.609 12.253 6.427 1.00 0.00 O ATOM 392 OD2 ASP A2979 0.467 12.348 5.747 1.00 0.00 O ATOM 0 H ASP A2979 -1.339 9.064 2.894 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.983 11.048 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -1.246 9.780 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A2979 0.003 10.359 4.287 1.00 0.00 H new ATOM 397 N ILE A2980 -0.536 12.232 2.202 1.00 0.00 N ATOM 398 CA ILE A2980 -0.130 13.435 1.438 1.00 0.00 C ATOM 399 C ILE A2980 -0.912 13.501 0.119 1.00 0.00 C ATOM 400 O ILE A2980 -1.103 14.569 -0.442 1.00 0.00 O ATOM 401 CB ILE A2980 1.426 13.567 1.177 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.941 12.633 0.040 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.223 13.358 2.493 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.922 11.169 0.379 1.00 0.00 C ATOM 0 H ILE A2980 0.111 11.447 2.133 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.378 14.287 2.071 1.00 0.00 H new ATOM 0 HB ILE A2980 1.599 14.584 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A2980 1.332 12.795 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.961 12.921 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.290 13.453 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.924 14.110 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.016 12.364 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A2980 2.296 10.594 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.555 10.988 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.901 10.861 0.604 1.00 0.00 H new ATOM 416 N ARG A2981 -1.395 12.332 -0.328 1.00 0.00 N ATOM 417 CA ARG A2981 -2.202 12.199 -1.547 1.00 0.00 C ATOM 418 C ARG A2981 -3.551 12.932 -1.375 1.00 0.00 C ATOM 419 O ARG A2981 -3.989 13.668 -2.275 1.00 0.00 O ATOM 420 CB ARG A2981 -2.376 10.684 -1.856 1.00 0.00 C ATOM 421 CG ARG A2981 -3.080 10.318 -3.182 1.00 0.00 C ATOM 422 CD ARG A2981 -4.622 10.343 -3.108 1.00 0.00 C ATOM 423 NE ARG A2981 -5.159 9.417 -2.098 1.00 0.00 N ATOM 424 CZ ARG A2981 -5.293 8.091 -2.263 1.00 0.00 C ATOM 425 NH1 ARG A2981 -4.905 7.500 -3.383 1.00 0.00 N ATOM 426 NH2 ARG A2981 -5.842 7.363 -1.309 1.00 0.00 N ATOM 0 H ARG A2981 -1.234 11.446 0.151 1.00 0.00 H new ATOM 0 HA ARG A2981 -1.704 12.666 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -1.389 10.222 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -2.938 10.233 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -2.753 11.011 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -2.758 9.323 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -4.954 11.356 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.032 10.086 -4.085 1.00 0.00 H new ATOM 0 HE ARG A2981 -5.452 9.813 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -4.497 8.053 -4.137 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -5.014 6.492 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -6.163 7.808 -0.449 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -5.945 6.356 -1.432 1.00 0.00 H new ATOM 440 N ARG A2982 -4.201 12.737 -0.208 1.00 0.00 N ATOM 441 CA ARG A2982 -5.512 13.359 0.067 1.00 0.00 C ATOM 442 C ARG A2982 -5.353 14.872 0.274 1.00 0.00 C ATOM 443 O ARG A2982 -6.178 15.641 -0.228 1.00 0.00 O ATOM 444 CB ARG A2982 -6.247 12.708 1.279 1.00 0.00 C ATOM 445 CG ARG A2982 -5.552 12.868 2.646 1.00 0.00 C ATOM 446 CD ARG A2982 -6.289 12.149 3.790 1.00 0.00 C ATOM 447 NE ARG A2982 -7.572 12.802 4.104 1.00 0.00 N ATOM 448 CZ ARG A2982 -8.796 12.316 3.831 1.00 0.00 C ATOM 449 NH1 ARG A2982 -8.948 11.138 3.239 1.00 0.00 N ATOM 450 NH2 ARG A2982 -9.857 13.025 4.153 1.00 0.00 N ATOM 0 H ARG A2982 -3.843 12.159 0.552 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.138 13.182 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.247 13.137 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.370 11.644 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.536 12.480 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.473 13.929 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.467 11.110 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.659 12.138 4.679 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.528 13.707 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -8.129 10.586 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -9.884 10.785 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -9.746 13.933 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -10.790 12.667 3.951 1.00 0.00 H new ATOM 464 N GLU A2983 -4.270 15.309 0.971 1.00 0.00 N ATOM 465 CA GLU A2983 -4.080 16.746 1.257 1.00 0.00 C ATOM 466 C GLU A2983 -3.734 17.543 -0.015 1.00 0.00 C ATOM 467 O GLU A2983 -4.204 18.662 -0.168 1.00 0.00 O ATOM 468 CB GLU A2983 -3.026 16.998 2.359 1.00 0.00 C ATOM 469 CG GLU A2983 -1.574 16.699 1.981 1.00 0.00 C ATOM 470 CD GLU A2983 -0.583 17.019 3.106 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.584 16.305 4.131 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.188 17.999 2.982 1.00 0.00 O ATOM 0 H GLU A2983 -3.536 14.701 1.334 1.00 0.00 H new ATOM 0 HA GLU A2983 -5.037 17.106 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -3.093 18.042 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -3.286 16.393 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.484 15.646 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.309 17.277 1.096 1.00 0.00 H new ATOM 479 N VAL A2984 -2.930 16.961 -0.938 1.00 0.00 N ATOM 480 CA VAL A2984 -2.594 17.644 -2.215 1.00 0.00 C ATOM 481 C VAL A2984 -3.848 17.772 -3.108 1.00 0.00 C ATOM 482 O VAL A2984 -4.002 18.752 -3.823 1.00 0.00 O ATOM 483 CB VAL A2984 -1.401 16.962 -3.002 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.107 16.963 -2.157 1.00 0.00 C ATOM 485 CG2 VAL A2984 -1.750 15.543 -3.505 1.00 0.00 C ATOM 0 H VAL A2984 -2.509 16.039 -0.828 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.243 18.641 -1.948 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.225 17.566 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.696 16.489 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.172 17.990 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.276 16.411 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -0.895 15.125 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -1.996 14.906 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -2.606 15.596 -4.178 1.00 0.00 H new ATOM 495 N LEU A2985 -4.762 16.794 -3.015 1.00 0.00 N ATOM 496 CA LEU A2985 -6.057 16.830 -3.730 1.00 0.00 C ATOM 497 C LEU A2985 -6.939 18.005 -3.181 1.00 0.00 C ATOM 498 O LEU A2985 -7.501 18.805 -3.945 1.00 0.00 O ATOM 499 CB LEU A2985 -6.731 15.427 -3.571 1.00 0.00 C ATOM 500 CG LEU A2985 -7.874 15.013 -4.572 1.00 0.00 C ATOM 501 CD1 LEU A2985 -9.207 15.745 -4.300 1.00 0.00 C ATOM 502 CD2 LEU A2985 -7.423 15.191 -6.048 1.00 0.00 C ATOM 0 H LEU A2985 -4.630 15.958 -2.446 1.00 0.00 H new ATOM 0 HA LEU A2985 -5.923 17.026 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -5.945 14.675 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.140 15.371 -2.562 1.00 0.00 H new ATOM 0 HG LEU A2985 -8.065 13.954 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.956 15.418 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -9.550 15.514 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -9.057 16.821 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -8.234 14.897 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -7.167 16.235 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -6.551 14.566 -6.240 1.00 0.00 H new ATOM 514 N GLN A2986 -6.989 18.127 -1.846 1.00 0.00 N ATOM 515 CA GLN A2986 -7.844 19.114 -1.150 1.00 0.00 C ATOM 516 C GLN A2986 -7.293 20.559 -1.268 1.00 0.00 C ATOM 517 O GLN A2986 -8.047 21.486 -1.547 1.00 0.00 O ATOM 518 CB GLN A2986 -8.002 18.698 0.336 1.00 0.00 C ATOM 519 CG GLN A2986 -8.729 17.342 0.537 1.00 0.00 C ATOM 520 CD GLN A2986 -8.599 16.757 1.950 1.00 0.00 C ATOM 521 OE1 GLN A2986 -8.482 17.485 2.937 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.613 15.431 2.051 1.00 0.00 N ATOM 0 H GLN A2986 -6.439 17.546 -1.213 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.821 19.118 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.014 18.641 0.794 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.553 19.476 0.864 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.786 17.473 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.334 16.622 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -8.711 14.857 1.214 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.525 14.988 2.966 1.00 0.00 H new ATOM 531 N ASN A2987 -5.976 20.732 -1.068 1.00 0.00 N ATOM 532 CA ASN A2987 -5.334 22.071 -1.030 1.00 0.00 C ATOM 533 C ASN A2987 -5.191 22.682 -2.435 1.00 0.00 C ATOM 534 O ASN A2987 -5.386 23.892 -2.610 1.00 0.00 O ATOM 535 CB ASN A2987 -3.946 22.000 -0.315 1.00 0.00 C ATOM 536 CG ASN A2987 -4.049 21.976 1.218 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.025 23.025 1.870 1.00 0.00 O ATOM 538 ND2 ASN A2987 -4.159 20.799 1.810 1.00 0.00 N ATOM 0 H ASN A2987 -5.325 19.959 -0.928 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.989 22.727 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.418 21.107 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.345 22.858 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -4.226 20.744 2.826 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -4.177 19.946 1.250 1.00 0.00 H new ATOM 545 N GLN A2988 -4.850 21.843 -3.437 1.00 0.00 N ATOM 546 CA GLN A2988 -4.622 22.310 -4.820 1.00 0.00 C ATOM 547 C GLN A2988 -5.948 22.648 -5.528 1.00 0.00 C ATOM 548 O GLN A2988 -6.078 23.724 -6.130 1.00 0.00 O ATOM 549 CB GLN A2988 -3.826 21.254 -5.634 1.00 0.00 C ATOM 550 CG GLN A2988 -2.363 21.043 -5.162 1.00 0.00 C ATOM 551 CD GLN A2988 -1.621 19.909 -5.897 1.00 0.00 C ATOM 552 OE1 GLN A2988 -0.407 19.976 -6.092 1.00 0.00 O ATOM 553 NE2 GLN A2988 -2.327 18.839 -6.264 1.00 0.00 N ATOM 0 H GLN A2988 -4.727 20.838 -3.313 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.031 23.224 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.352 20.301 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -3.816 21.554 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -1.811 21.973 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.365 20.828 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -3.332 18.807 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -1.862 18.052 -6.717 1.00 0.00 H new ATOM 562 N LEU A2989 -6.931 21.733 -5.446 1.00 0.00 N ATOM 563 CA LEU A2989 -8.187 21.853 -6.214 1.00 0.00 C ATOM 564 C LEU A2989 -9.298 22.476 -5.367 1.00 0.00 C ATOM 565 O LEU A2989 -10.037 23.343 -5.847 1.00 0.00 O ATOM 566 CB LEU A2989 -8.645 20.476 -6.760 1.00 0.00 C ATOM 567 CG LEU A2989 -7.639 19.723 -7.695 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.005 20.657 -8.745 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.563 18.962 -6.889 1.00 0.00 C ATOM 0 H LEU A2989 -6.881 20.902 -4.856 1.00 0.00 H new ATOM 0 HA LEU A2989 -7.986 22.511 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -8.870 19.830 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -9.577 20.619 -7.307 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.221 18.981 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -6.315 20.088 -9.369 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -7.788 21.087 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -6.463 21.457 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -5.886 18.454 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -5.999 19.667 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.044 18.227 -6.243 1.00 0.00 H new ATOM 581 N GLY A2990 -9.401 22.019 -4.107 1.00 0.00 N ATOM 582 CA GLY A2990 -10.461 22.472 -3.197 1.00 0.00 C ATOM 583 C GLY A2990 -11.796 21.775 -3.422 1.00 0.00 C ATOM 584 O GLY A2990 -12.828 22.210 -2.886 1.00 0.00 O ATOM 0 H GLY A2990 -8.762 21.337 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.142 22.304 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.597 23.547 -3.317 1.00 0.00 H new ATOM 588 N ILE A2991 -11.774 20.703 -4.234 1.00 0.00 N ATOM 589 CA ILE A2991 -12.944 19.855 -4.475 1.00 0.00 C ATOM 590 C ILE A2991 -13.162 18.989 -3.216 1.00 0.00 C ATOM 591 O ILE A2991 -12.243 18.297 -2.744 1.00 0.00 O ATOM 592 CB ILE A2991 -12.770 19.009 -5.816 1.00 0.00 C ATOM 593 CG1 ILE A2991 -14.092 18.263 -6.267 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.570 18.036 -5.744 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.454 16.970 -5.531 1.00 0.00 C ATOM 0 H ILE A2991 -10.940 20.404 -4.740 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.840 20.454 -4.638 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.554 19.743 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.925 18.958 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.004 18.034 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.493 17.483 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.653 18.601 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.717 17.337 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -15.380 16.566 -5.940 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.653 16.242 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.588 17.181 -4.470 1.00 0.00 H new ATOM 607 N ARG A2992 -14.368 19.082 -2.649 1.00 0.00 N ATOM 608 CA ARG A2992 -14.728 18.390 -1.404 1.00 0.00 C ATOM 609 C ARG A2992 -15.666 17.201 -1.719 1.00 0.00 C ATOM 610 O ARG A2992 -16.493 17.296 -2.635 1.00 0.00 O ATOM 611 CB ARG A2992 -15.376 19.409 -0.417 1.00 0.00 C ATOM 612 CG ARG A2992 -16.682 20.080 -0.910 1.00 0.00 C ATOM 613 CD ARG A2992 -17.164 21.194 0.036 1.00 0.00 C ATOM 614 NE ARG A2992 -16.193 22.311 0.099 1.00 0.00 N ATOM 615 CZ ARG A2992 -16.017 23.151 1.141 1.00 0.00 C ATOM 616 NH1 ARG A2992 -16.720 23.024 2.265 1.00 0.00 N ATOM 617 NH2 ARG A2992 -15.137 24.133 1.042 1.00 0.00 N ATOM 0 H ARG A2992 -15.126 19.641 -3.040 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.838 17.982 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.584 18.896 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.647 20.190 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.520 20.496 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.462 19.325 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -18.130 21.569 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.314 20.785 1.035 1.00 0.00 H new ATOM 0 HE ARG A2992 -15.603 22.459 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -17.411 22.279 2.353 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -16.568 23.672 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -14.598 24.251 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -14.997 24.773 1.824 1.00 0.00 H new