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 78:sc= 0.349 USER MOD Single : A2986 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A2987 ASN : amide:sc= -0.763 K(o=-0.76,f=-4!) USER MOD Single : A2988 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -6.923 4.601 -12.449 1.00 0.00 N ATOM 82 CA ASP A2957 -7.084 5.255 -13.762 1.00 0.00 C ATOM 83 C ASP A2957 -8.459 5.974 -13.837 1.00 0.00 C ATOM 84 O ASP A2957 -9.410 5.494 -13.237 1.00 0.00 O ATOM 85 CB ASP A2957 -6.949 4.179 -14.877 1.00 0.00 C ATOM 86 CG ASP A2957 -6.753 4.771 -16.282 1.00 0.00 C ATOM 87 OD1 ASP A2957 -5.605 5.127 -16.628 1.00 0.00 O ATOM 88 OD2 ASP A2957 -7.734 4.906 -17.029 1.00 0.00 O ATOM 0 HA ASP A2957 -6.310 6.010 -13.902 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.105 3.530 -14.644 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -7.841 3.553 -14.877 1.00 0.00 H new ATOM 93 N PRO A2958 -8.585 7.158 -14.540 1.00 0.00 N ATOM 94 CA PRO A2958 -9.899 7.847 -14.757 1.00 0.00 C ATOM 95 C PRO A2958 -10.986 6.958 -15.419 1.00 0.00 C ATOM 96 O PRO A2958 -12.187 7.226 -15.265 1.00 0.00 O ATOM 97 CB PRO A2958 -9.537 9.071 -15.648 1.00 0.00 C ATOM 98 CG PRO A2958 -8.168 8.767 -16.184 1.00 0.00 C ATOM 99 CD PRO A2958 -7.476 7.959 -15.109 1.00 0.00 C ATOM 0 HA PRO A2958 -10.354 8.121 -13.805 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -10.258 9.199 -16.455 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -9.539 9.995 -15.070 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -8.229 8.206 -17.117 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -7.619 9.684 -16.398 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.689 7.327 -15.521 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -7.011 8.598 -14.358 1.00 0.00 H new ATOM 107 N LEU A2959 -10.564 5.893 -16.133 1.00 0.00 N ATOM 108 CA LEU A2959 -11.491 4.919 -16.752 1.00 0.00 C ATOM 109 C LEU A2959 -11.947 3.837 -15.739 1.00 0.00 C ATOM 110 O LEU A2959 -12.586 2.851 -16.117 1.00 0.00 O ATOM 111 CB LEU A2959 -10.860 4.284 -18.024 1.00 0.00 C ATOM 112 CG LEU A2959 -10.854 5.176 -19.318 1.00 0.00 C ATOM 113 CD1 LEU A2959 -12.288 5.610 -19.719 1.00 0.00 C ATOM 114 CD2 LEU A2959 -9.914 6.404 -19.183 1.00 0.00 C ATOM 0 H LEU A2959 -9.579 5.684 -16.296 1.00 0.00 H new ATOM 0 HA LEU A2959 -12.385 5.462 -17.059 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -9.831 4.008 -17.794 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -11.395 3.361 -18.247 1.00 0.00 H new ATOM 0 HG LEU A2959 -10.456 4.556 -20.121 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.244 6.225 -20.618 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -12.895 4.726 -19.914 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -12.735 6.185 -18.908 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -9.945 6.989 -20.102 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -10.242 7.023 -18.348 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -8.894 6.064 -19.003 1.00 0.00 H new ATOM 126 N ALA A2960 -11.630 4.054 -14.450 1.00 0.00 N ATOM 127 CA ALA A2960 -12.243 3.322 -13.322 1.00 0.00 C ATOM 128 C ALA A2960 -13.588 3.971 -12.931 1.00 0.00 C ATOM 129 O ALA A2960 -14.245 3.523 -11.991 1.00 0.00 O ATOM 130 CB ALA A2960 -11.288 3.296 -12.118 1.00 0.00 C ATOM 0 H ALA A2960 -10.939 4.745 -14.158 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.431 2.295 -13.634 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -11.754 2.753 -11.296 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.360 2.799 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.072 4.317 -11.803 1.00 0.00 H new ATOM 136 N GLY A2961 -13.971 5.042 -13.660 1.00 0.00 N ATOM 137 CA GLY A2961 -15.214 5.775 -13.419 1.00 0.00 C ATOM 138 C GLY A2961 -15.004 7.029 -12.580 1.00 0.00 C ATOM 139 O GLY A2961 -15.957 7.763 -12.311 1.00 0.00 O ATOM 0 H GLY A2961 -13.419 5.416 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.658 6.053 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -15.925 5.120 -12.915 1.00 0.00 H new ATOM 143 N ILE A2962 -13.751 7.270 -12.157 1.00 0.00 N ATOM 144 CA ILE A2962 -13.392 8.440 -11.334 1.00 0.00 C ATOM 145 C ILE A2962 -13.020 9.645 -12.217 1.00 0.00 C ATOM 146 O ILE A2962 -12.540 9.486 -13.346 1.00 0.00 O ATOM 147 CB ILE A2962 -12.216 8.123 -10.334 1.00 0.00 C ATOM 148 CG1 ILE A2962 -10.969 7.551 -11.087 1.00 0.00 C ATOM 149 CG2 ILE A2962 -12.698 7.164 -9.219 1.00 0.00 C ATOM 150 CD1 ILE A2962 -9.743 7.324 -10.219 1.00 0.00 C ATOM 0 H ILE A2962 -12.961 6.663 -12.374 1.00 0.00 H new ATOM 0 HA ILE A2962 -14.274 8.691 -10.745 1.00 0.00 H new ATOM 0 HB ILE A2962 -11.906 9.056 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.247 6.605 -11.552 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -10.704 8.236 -11.892 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -11.874 6.955 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -13.516 7.628 -8.668 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -13.044 6.232 -9.665 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -8.933 6.927 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -9.432 8.269 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -9.983 6.613 -9.429 1.00 0.00 H new ATOM 162 N SER A2963 -13.239 10.850 -11.674 1.00 0.00 N ATOM 163 CA SER A2963 -12.985 12.118 -12.372 1.00 0.00 C ATOM 164 C SER A2963 -11.896 12.910 -11.627 1.00 0.00 C ATOM 165 O SER A2963 -12.155 13.483 -10.556 1.00 0.00 O ATOM 166 CB SER A2963 -14.302 12.929 -12.462 1.00 0.00 C ATOM 167 OG SER A2963 -15.323 12.190 -13.120 1.00 0.00 O ATOM 0 H SER A2963 -13.601 10.973 -10.728 1.00 0.00 H new ATOM 0 HA SER A2963 -12.631 11.921 -13.384 1.00 0.00 H new ATOM 0 HB2 SER A2963 -14.634 13.198 -11.459 1.00 0.00 H new ATOM 0 HB3 SER A2963 -14.121 13.860 -12.999 1.00 0.00 H new ATOM 0 HG SER A2963 -16.142 12.727 -13.160 1.00 0.00 H new ATOM 173 N LEU A2964 -10.666 12.891 -12.171 1.00 0.00 N ATOM 174 CA LEU A2964 -9.534 13.652 -11.632 1.00 0.00 C ATOM 175 C LEU A2964 -9.530 15.055 -12.278 1.00 0.00 C ATOM 176 O LEU A2964 -9.475 15.150 -13.509 1.00 0.00 O ATOM 177 CB LEU A2964 -8.168 12.943 -11.887 1.00 0.00 C ATOM 178 CG LEU A2964 -7.982 11.512 -11.267 1.00 0.00 C ATOM 179 CD1 LEU A2964 -8.436 11.457 -9.786 1.00 0.00 C ATOM 180 CD2 LEU A2964 -8.698 10.434 -12.107 1.00 0.00 C ATOM 0 H LEU A2964 -10.433 12.344 -13.000 1.00 0.00 H new ATOM 0 HA LEU A2964 -9.655 13.726 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -8.021 12.867 -12.964 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -7.376 13.585 -11.502 1.00 0.00 H new ATOM 0 HG LEU A2964 -6.914 11.296 -11.287 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -8.290 10.449 -9.398 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -7.847 12.161 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -9.491 11.722 -9.719 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -8.548 9.457 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -9.765 10.655 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -8.288 10.428 -13.117 1.00 0.00 H new ATOM 192 N PRO A2965 -9.636 16.155 -11.459 1.00 0.00 N ATOM 193 CA PRO A2965 -9.526 17.567 -11.940 1.00 0.00 C ATOM 194 C PRO A2965 -8.217 17.870 -12.723 1.00 0.00 C ATOM 195 O PRO A2965 -7.323 17.021 -12.822 1.00 0.00 O ATOM 196 CB PRO A2965 -9.588 18.401 -10.630 1.00 0.00 C ATOM 197 CG PRO A2965 -10.295 17.518 -9.641 1.00 0.00 C ATOM 198 CD PRO A2965 -9.926 16.093 -10.005 1.00 0.00 C ATOM 0 HA PRO A2965 -10.315 17.797 -12.656 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -8.589 18.664 -10.281 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -10.128 19.335 -10.782 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -9.987 17.751 -8.622 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -11.374 17.665 -9.690 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.060 15.749 -9.440 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.742 15.403 -9.790 1.00 0.00 H new ATOM 206 N GLU A2966 -8.112 19.100 -13.262 1.00 0.00 N ATOM 207 CA GLU A2966 -6.949 19.521 -14.068 1.00 0.00 C ATOM 208 C GLU A2966 -5.701 19.676 -13.174 1.00 0.00 C ATOM 209 O GLU A2966 -5.769 20.299 -12.105 1.00 0.00 O ATOM 210 CB GLU A2966 -7.238 20.844 -14.815 1.00 0.00 C ATOM 211 CG GLU A2966 -6.134 21.258 -15.817 1.00 0.00 C ATOM 212 CD GLU A2966 -6.368 22.639 -16.442 1.00 0.00 C ATOM 213 OE1 GLU A2966 -7.029 22.728 -17.501 1.00 0.00 O ATOM 214 OE2 GLU A2966 -5.903 23.644 -15.869 1.00 0.00 O ATOM 0 H GLU A2966 -8.823 19.823 -13.153 1.00 0.00 H new ATOM 0 HA GLU A2966 -6.757 18.746 -14.810 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -8.182 20.747 -15.351 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -7.367 21.641 -14.083 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -5.171 21.256 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -6.075 20.513 -16.611 1.00 0.00 H new ATOM 221 N GLY A2967 -4.577 19.087 -13.621 1.00 0.00 N ATOM 222 CA GLY A2967 -3.335 19.052 -12.838 1.00 0.00 C ATOM 223 C GLY A2967 -3.222 17.807 -11.971 1.00 0.00 C ATOM 224 O GLY A2967 -2.118 17.440 -11.542 1.00 0.00 O ATOM 0 H GLY A2967 -4.507 18.626 -14.528 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -2.482 19.097 -13.515 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -3.285 19.937 -12.204 1.00 0.00 H new ATOM 228 N VAL A2968 -4.368 17.154 -11.706 1.00 0.00 N ATOM 229 CA VAL A2968 -4.438 15.959 -10.865 1.00 0.00 C ATOM 230 C VAL A2968 -4.195 14.712 -11.723 1.00 0.00 C ATOM 231 O VAL A2968 -5.118 14.165 -12.341 1.00 0.00 O ATOM 232 CB VAL A2968 -5.816 15.861 -10.118 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.843 14.704 -9.099 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.156 17.196 -9.436 1.00 0.00 C ATOM 0 H VAL A2968 -5.273 17.447 -12.074 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.662 16.027 -10.103 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.577 15.646 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -6.815 14.675 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -5.670 13.760 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -5.063 14.858 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.114 17.109 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.379 17.443 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -6.217 17.983 -10.187 1.00 0.00 H new ATOM 244 N ASP A2969 -2.919 14.335 -11.822 1.00 0.00 N ATOM 245 CA ASP A2969 -2.494 13.095 -12.465 1.00 0.00 C ATOM 246 C ASP A2969 -2.576 11.962 -11.421 1.00 0.00 C ATOM 247 O ASP A2969 -1.868 12.016 -10.405 1.00 0.00 O ATOM 248 CB ASP A2969 -1.045 13.250 -13.034 1.00 0.00 C ATOM 249 CG ASP A2969 -0.546 12.077 -13.913 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.324 11.156 -14.235 1.00 0.00 O ATOM 251 OD2 ASP A2969 0.638 12.086 -14.305 1.00 0.00 O ATOM 0 H ASP A2969 -2.146 14.889 -11.454 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.144 12.856 -13.307 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -1.000 14.167 -13.622 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.356 13.374 -12.198 1.00 0.00 H new ATOM 256 N PRO A2970 -3.429 10.907 -11.650 1.00 0.00 N ATOM 257 CA PRO A2970 -3.584 9.776 -10.696 1.00 0.00 C ATOM 258 C PRO A2970 -2.316 8.924 -10.522 1.00 0.00 C ATOM 259 O PRO A2970 -2.306 8.004 -9.695 1.00 0.00 O ATOM 260 CB PRO A2970 -4.752 8.962 -11.296 1.00 0.00 C ATOM 261 CG PRO A2970 -4.713 9.279 -12.759 1.00 0.00 C ATOM 262 CD PRO A2970 -4.327 10.738 -12.828 1.00 0.00 C ATOM 0 HA PRO A2970 -3.775 10.131 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -4.625 7.894 -11.117 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.705 9.249 -10.852 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -3.989 8.653 -13.280 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -5.681 9.103 -13.228 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.817 10.976 -13.761 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -5.199 11.389 -12.767 1.00 0.00 H new ATOM 270 N SER A2971 -1.257 9.243 -11.291 1.00 0.00 N ATOM 271 CA SER A2971 0.063 8.635 -11.121 1.00 0.00 C ATOM 272 C SER A2971 0.620 8.912 -9.708 1.00 0.00 C ATOM 273 O SER A2971 1.007 7.973 -9.024 1.00 0.00 O ATOM 274 CB SER A2971 1.021 9.153 -12.207 1.00 0.00 C ATOM 275 OG SER A2971 0.518 8.880 -13.507 1.00 0.00 O ATOM 0 H SER A2971 -1.300 9.929 -12.045 1.00 0.00 H new ATOM 0 HA SER A2971 -0.032 7.554 -11.229 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.164 10.227 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A2971 1.998 8.686 -12.087 1.00 0.00 H new ATOM 0 HG SER A2971 -0.183 9.528 -13.729 1.00 0.00 H new ATOM 281 N PHE A2972 0.609 10.196 -9.258 1.00 0.00 N ATOM 282 CA PHE A2972 1.126 10.556 -7.913 1.00 0.00 C ATOM 283 C PHE A2972 0.151 10.151 -6.795 1.00 0.00 C ATOM 284 O PHE A2972 0.574 9.919 -5.664 1.00 0.00 O ATOM 285 CB PHE A2972 1.529 12.063 -7.799 1.00 0.00 C ATOM 286 CG PHE A2972 0.488 13.119 -8.214 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.645 13.370 -7.431 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.678 13.896 -9.360 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.557 14.345 -7.792 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.239 14.868 -9.720 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.352 15.094 -8.931 1.00 0.00 C ATOM 0 H PHE A2972 0.254 10.985 -9.798 1.00 0.00 H new ATOM 0 HA PHE A2972 2.041 9.978 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.808 12.257 -6.763 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.422 12.217 -8.404 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.809 12.794 -6.532 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.553 13.736 -9.973 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.430 14.520 -7.181 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.085 15.450 -10.617 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.062 15.859 -9.208 1.00 0.00 H new ATOM 301 N LEU A2973 -1.150 10.057 -7.119 1.00 0.00 N ATOM 302 CA LEU A2973 -2.173 9.611 -6.153 1.00 0.00 C ATOM 303 C LEU A2973 -1.966 8.124 -5.790 1.00 0.00 C ATOM 304 O LEU A2973 -2.156 7.719 -4.641 1.00 0.00 O ATOM 305 CB LEU A2973 -3.594 9.821 -6.735 1.00 0.00 C ATOM 306 CG LEU A2973 -3.984 11.288 -7.106 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.368 11.340 -7.776 1.00 0.00 C ATOM 308 CD2 LEU A2973 -3.941 12.224 -5.876 1.00 0.00 C ATOM 0 H LEU A2973 -1.520 10.284 -8.042 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.071 10.209 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.691 9.205 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.318 9.448 -6.011 1.00 0.00 H new ATOM 0 HG LEU A2973 -3.241 11.646 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.614 12.373 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -5.354 10.742 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -6.118 10.942 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -4.219 13.234 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -4.641 11.865 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -2.933 12.233 -5.461 1.00 0.00 H new ATOM 320 N ALA A2974 -1.570 7.338 -6.804 1.00 0.00 N ATOM 321 CA ALA A2974 -1.418 5.879 -6.703 1.00 0.00 C ATOM 322 C ALA A2974 0.001 5.470 -6.264 1.00 0.00 C ATOM 323 O ALA A2974 0.171 4.507 -5.498 1.00 0.00 O ATOM 324 CB ALA A2974 -1.751 5.252 -8.061 1.00 0.00 C ATOM 0 H ALA A2974 -1.344 7.704 -7.729 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.104 5.516 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.642 4.169 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.777 5.498 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.071 5.642 -8.818 1.00 0.00 H new ATOM 330 N ALA A2975 1.012 6.196 -6.783 1.00 0.00 N ATOM 331 CA ALA A2975 2.439 5.879 -6.538 1.00 0.00 C ATOM 332 C ALA A2975 2.854 6.269 -5.116 1.00 0.00 C ATOM 333 O ALA A2975 3.638 5.564 -4.465 1.00 0.00 O ATOM 334 CB ALA A2975 3.340 6.581 -7.571 1.00 0.00 C ATOM 0 H ALA A2975 0.868 7.011 -7.379 1.00 0.00 H new ATOM 0 HA ALA A2975 2.563 4.801 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.383 6.334 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.073 6.247 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.203 7.660 -7.500 1.00 0.00 H new ATOM 340 N LEU A2976 2.334 7.411 -4.660 1.00 0.00 N ATOM 341 CA LEU A2976 2.563 7.929 -3.307 1.00 0.00 C ATOM 342 C LEU A2976 1.407 7.449 -2.377 1.00 0.00 C ATOM 343 O LEU A2976 0.341 7.085 -2.888 1.00 0.00 O ATOM 344 CB LEU A2976 2.662 9.480 -3.374 1.00 0.00 C ATOM 345 CG LEU A2976 3.675 10.078 -4.402 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.660 11.620 -4.355 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.105 9.527 -4.179 1.00 0.00 C ATOM 0 H LEU A2976 1.734 8.011 -5.227 1.00 0.00 H new ATOM 0 HA LEU A2976 3.498 7.552 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.672 9.874 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.928 9.846 -2.383 1.00 0.00 H new ATOM 0 HG LEU A2976 3.358 9.766 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.373 12.013 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.661 11.982 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.935 11.956 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.782 9.965 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.442 9.785 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.099 8.443 -4.293 1.00 0.00 H new ATOM 359 N PRO A2977 1.594 7.412 -1.003 1.00 0.00 N ATOM 360 CA PRO A2977 0.545 6.914 -0.054 1.00 0.00 C ATOM 361 C PRO A2977 -0.733 7.802 -0.008 1.00 0.00 C ATOM 362 O PRO A2977 -0.891 8.742 -0.797 1.00 0.00 O ATOM 363 CB PRO A2977 1.274 6.907 1.315 1.00 0.00 C ATOM 364 CG PRO A2977 2.348 7.942 1.168 1.00 0.00 C ATOM 365 CD PRO A2977 2.827 7.825 -0.266 1.00 0.00 C ATOM 0 HA PRO A2977 0.166 5.938 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.593 7.153 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.694 5.926 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A2977 1.962 8.941 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.163 7.765 1.870 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.221 8.771 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.623 7.087 -0.366 1.00 0.00 H new ATOM 373 N ASP A2978 -1.630 7.499 0.947 1.00 0.00 N ATOM 374 CA ASP A2978 -2.938 8.185 1.071 1.00 0.00 C ATOM 375 C ASP A2978 -2.792 9.620 1.596 1.00 0.00 C ATOM 376 O ASP A2978 -3.509 10.515 1.164 1.00 0.00 O ATOM 377 CB ASP A2978 -3.894 7.390 1.999 1.00 0.00 C ATOM 378 CG ASP A2978 -5.310 8.010 2.104 1.00 0.00 C ATOM 379 OD1 ASP A2978 -6.114 7.836 1.168 1.00 0.00 O ATOM 380 OD2 ASP A2978 -5.617 8.674 3.120 1.00 0.00 O ATOM 0 H ASP A2978 -1.475 6.778 1.652 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.361 8.232 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -3.980 6.368 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -3.456 7.333 2.996 1.00 0.00 H new ATOM 385 N ASP A2979 -1.826 9.813 2.481 1.00 0.00 N ATOM 386 CA ASP A2979 -1.705 11.012 3.335 1.00 0.00 C ATOM 387 C ASP A2979 -1.605 12.289 2.491 1.00 0.00 C ATOM 388 O ASP A2979 -2.419 13.224 2.619 1.00 0.00 O ATOM 389 CB ASP A2979 -0.451 10.869 4.232 1.00 0.00 C ATOM 390 CG ASP A2979 -0.437 9.562 5.041 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.128 8.501 4.455 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.731 9.580 6.253 1.00 0.00 O ATOM 0 H ASP A2979 -1.082 9.133 2.638 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.599 11.093 3.954 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.442 10.913 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.403 11.715 4.918 1.00 0.00 H new ATOM 397 N ILE A2980 -0.637 12.278 1.573 1.00 0.00 N ATOM 398 CA ILE A2980 -0.374 13.426 0.709 1.00 0.00 C ATOM 399 C ILE A2980 -1.389 13.506 -0.439 1.00 0.00 C ATOM 400 O ILE A2980 -1.653 14.592 -0.917 1.00 0.00 O ATOM 401 CB ILE A2980 1.108 13.495 0.167 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.371 12.488 -0.991 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.126 13.290 1.318 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.213 11.032 -0.619 1.00 0.00 C ATOM 0 H ILE A2980 -0.021 11.482 1.410 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.497 14.303 1.344 1.00 0.00 H new ATOM 0 HB ILE A2980 1.245 14.494 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.689 12.714 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.383 12.644 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.140 13.342 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.990 14.070 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A2980 1.965 12.314 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.416 10.410 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A2980 1.914 10.782 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.194 10.853 -0.275 1.00 0.00 H new ATOM 416 N ARG A2981 -1.984 12.360 -0.857 1.00 0.00 N ATOM 417 CA ARG A2981 -2.903 12.353 -2.016 1.00 0.00 C ATOM 418 C ARG A2981 -4.199 13.118 -1.683 1.00 0.00 C ATOM 419 O ARG A2981 -4.746 13.842 -2.529 1.00 0.00 O ATOM 420 CB ARG A2981 -3.126 10.893 -2.577 1.00 0.00 C ATOM 421 CG ARG A2981 -4.058 9.896 -1.830 1.00 0.00 C ATOM 422 CD ARG A2981 -5.570 10.194 -1.904 1.00 0.00 C ATOM 423 NE ARG A2981 -6.026 10.456 -3.285 1.00 0.00 N ATOM 424 CZ ARG A2981 -6.616 9.563 -4.096 1.00 0.00 C ATOM 425 NH1 ARG A2981 -6.845 8.324 -3.697 1.00 0.00 N ATOM 426 NH2 ARG A2981 -7.000 9.928 -5.306 1.00 0.00 N ATOM 0 H ARG A2981 -1.846 11.450 -0.418 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.441 12.895 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -3.509 10.993 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -2.145 10.423 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.885 8.898 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -3.764 9.872 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -6.124 9.349 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.798 11.057 -1.279 1.00 0.00 H new ATOM 0 HE ARG A2981 -5.880 11.396 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -6.572 8.032 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -7.294 7.660 -4.328 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -6.848 10.886 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -7.448 9.252 -5.924 1.00 0.00 H new ATOM 440 N ARG A2982 -4.672 12.957 -0.430 1.00 0.00 N ATOM 441 CA ARG A2982 -5.861 13.672 0.064 1.00 0.00 C ATOM 442 C ARG A2982 -5.535 15.144 0.363 1.00 0.00 C ATOM 443 O ARG A2982 -6.332 16.026 0.006 1.00 0.00 O ATOM 444 CB ARG A2982 -6.518 12.963 1.292 1.00 0.00 C ATOM 445 CG ARG A2982 -5.544 12.422 2.384 1.00 0.00 C ATOM 446 CD ARG A2982 -5.789 12.981 3.800 1.00 0.00 C ATOM 447 NE ARG A2982 -5.107 14.272 4.026 1.00 0.00 N ATOM 448 CZ ARG A2982 -5.669 15.369 4.579 1.00 0.00 C ATOM 449 NH1 ARG A2982 -6.978 15.433 4.792 1.00 0.00 N ATOM 450 NH2 ARG A2982 -4.902 16.396 4.901 1.00 0.00 N ATOM 0 H ARG A2982 -4.246 12.336 0.258 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.603 13.649 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.205 13.665 1.765 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -7.117 12.129 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -5.625 11.336 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -4.521 12.656 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.860 13.108 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.443 12.257 4.538 1.00 0.00 H new ATOM 0 HE ARG A2982 -4.130 14.341 3.741 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -7.575 14.646 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -7.386 16.269 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -3.897 16.355 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -5.315 17.230 5.319 1.00 0.00 H new ATOM 464 N GLU A2983 -4.351 15.426 0.976 1.00 0.00 N ATOM 465 CA GLU A2983 -3.992 16.815 1.339 1.00 0.00 C ATOM 466 C GLU A2983 -3.752 17.679 0.084 1.00 0.00 C ATOM 467 O GLU A2983 -4.162 18.834 0.059 1.00 0.00 O ATOM 468 CB GLU A2983 -2.788 16.882 2.319 1.00 0.00 C ATOM 469 CG GLU A2983 -1.394 16.658 1.723 1.00 0.00 C ATOM 470 CD GLU A2983 -0.287 16.569 2.797 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.066 15.470 3.356 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.353 17.590 3.100 1.00 0.00 O ATOM 0 H GLU A2983 -3.650 14.727 1.221 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.847 17.232 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.797 17.859 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.946 16.139 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.399 15.739 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.163 17.473 1.037 1.00 0.00 H new ATOM 479 N VAL A2984 -3.139 17.100 -0.978 1.00 0.00 N ATOM 480 CA VAL A2984 -2.906 17.838 -2.241 1.00 0.00 C ATOM 481 C VAL A2984 -4.236 18.099 -2.975 1.00 0.00 C ATOM 482 O VAL A2984 -4.433 19.182 -3.499 1.00 0.00 O ATOM 483 CB VAL A2984 -1.862 17.145 -3.210 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.479 16.983 -2.533 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.373 15.795 -3.769 1.00 0.00 C ATOM 0 H VAL A2984 -2.802 16.137 -0.985 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.458 18.788 -1.949 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.743 17.813 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.212 16.504 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.093 17.964 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.581 16.367 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.618 15.364 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.569 15.110 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.293 15.959 -4.331 1.00 0.00 H new ATOM 495 N LEU A2985 -5.163 17.115 -2.959 1.00 0.00 N ATOM 496 CA LEU A2985 -6.462 17.230 -3.668 1.00 0.00 C ATOM 497 C LEU A2985 -7.283 18.448 -3.162 1.00 0.00 C ATOM 498 O LEU A2985 -7.743 19.289 -3.957 1.00 0.00 O ATOM 499 CB LEU A2985 -7.263 15.915 -3.499 1.00 0.00 C ATOM 500 CG LEU A2985 -8.571 15.788 -4.347 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.264 15.799 -5.866 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.373 14.525 -3.951 1.00 0.00 C ATOM 0 H LEU A2985 -5.038 16.232 -2.464 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.264 17.395 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.609 15.081 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.525 15.807 -2.447 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.189 16.659 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.195 15.709 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.770 16.734 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.611 14.962 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.277 14.463 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.762 13.638 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.646 14.583 -2.897 1.00 0.00 H new ATOM 514 N GLN A2986 -7.410 18.554 -1.829 1.00 0.00 N ATOM 515 CA GLN A2986 -8.169 19.645 -1.180 1.00 0.00 C ATOM 516 C GLN A2986 -7.410 20.997 -1.245 1.00 0.00 C ATOM 517 O GLN A2986 -8.038 22.043 -1.393 1.00 0.00 O ATOM 518 CB GLN A2986 -8.506 19.265 0.294 1.00 0.00 C ATOM 519 CG GLN A2986 -7.278 18.913 1.159 1.00 0.00 C ATOM 520 CD GLN A2986 -7.590 18.565 2.618 1.00 0.00 C ATOM 521 OE1 GLN A2986 -8.673 18.080 2.950 1.00 0.00 O ATOM 522 NE2 GLN A2986 -6.626 18.793 3.502 1.00 0.00 N ATOM 0 H GLN A2986 -6.994 17.893 -1.172 1.00 0.00 H new ATOM 0 HA GLN A2986 -9.101 19.776 -1.731 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -9.036 20.097 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -9.188 18.415 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -6.761 18.069 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -6.587 19.756 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -5.740 19.196 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -6.772 18.566 4.486 1.00 0.00 H new ATOM 531 N ASN A2987 -6.069 20.973 -1.138 1.00 0.00 N ATOM 532 CA ASN A2987 -5.245 22.212 -1.107 1.00 0.00 C ATOM 533 C ASN A2987 -5.089 22.848 -2.505 1.00 0.00 C ATOM 534 O ASN A2987 -4.974 24.073 -2.620 1.00 0.00 O ATOM 535 CB ASN A2987 -3.854 21.930 -0.476 1.00 0.00 C ATOM 536 CG ASN A2987 -3.900 21.671 1.037 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.926 21.273 1.596 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.771 21.844 1.705 1.00 0.00 N ATOM 0 H ASN A2987 -5.526 20.112 -1.071 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.775 22.933 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.410 21.066 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.199 22.779 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.735 21.647 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.937 22.174 1.220 1.00 0.00 H new ATOM 545 N GLN A2988 -5.083 22.015 -3.562 1.00 0.00 N ATOM 546 CA GLN A2988 -4.886 22.485 -4.951 1.00 0.00 C ATOM 547 C GLN A2988 -6.194 23.011 -5.558 1.00 0.00 C ATOM 548 O GLN A2988 -6.218 24.101 -6.148 1.00 0.00 O ATOM 549 CB GLN A2988 -4.289 21.353 -5.843 1.00 0.00 C ATOM 550 CG GLN A2988 -2.857 20.919 -5.475 1.00 0.00 C ATOM 551 CD GLN A2988 -1.836 22.028 -5.665 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.209 22.142 -6.719 1.00 0.00 O ATOM 553 NE2 GLN A2988 -1.680 22.874 -4.661 1.00 0.00 N ATOM 0 H GLN A2988 -5.213 21.006 -3.482 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.176 23.311 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.942 20.483 -5.784 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.296 21.687 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.838 20.589 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.574 20.062 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -2.216 22.750 -3.802 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -1.024 23.651 -4.746 1.00 0.00 H new ATOM 562 N LEU A2989 -7.284 22.229 -5.418 1.00 0.00 N ATOM 563 CA LEU A2989 -8.565 22.523 -6.105 1.00 0.00 C ATOM 564 C LEU A2989 -9.637 22.997 -5.111 1.00 0.00 C ATOM 565 O LEU A2989 -10.477 23.836 -5.454 1.00 0.00 O ATOM 566 CB LEU A2989 -9.101 21.280 -6.882 1.00 0.00 C ATOM 567 CG LEU A2989 -8.102 20.539 -7.844 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.298 21.516 -8.743 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.170 19.585 -7.062 1.00 0.00 C ATOM 0 H LEU A2989 -7.306 21.390 -4.838 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.359 23.322 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.463 20.557 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -9.962 21.597 -7.470 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.709 19.934 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -6.625 20.949 -9.386 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -7.987 22.094 -9.359 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -6.717 22.192 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.492 19.089 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.592 20.156 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.768 18.837 -6.542 1.00 0.00 H new ATOM 581 N GLY A2990 -9.607 22.435 -3.882 1.00 0.00 N ATOM 582 CA GLY A2990 -10.675 22.661 -2.896 1.00 0.00 C ATOM 583 C GLY A2990 -11.845 21.696 -3.051 1.00 0.00 C ATOM 584 O GLY A2990 -12.840 21.802 -2.319 1.00 0.00 O ATOM 0 H GLY A2990 -8.857 21.826 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.261 22.563 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -11.040 23.684 -2.992 1.00 0.00 H new ATOM 588 N ILE A2991 -11.726 20.764 -4.016 1.00 0.00 N ATOM 589 CA ILE A2991 -12.782 19.795 -4.349 1.00 0.00 C ATOM 590 C ILE A2991 -12.870 18.715 -3.242 1.00 0.00 C ATOM 591 O ILE A2991 -11.846 18.148 -2.824 1.00 0.00 O ATOM 592 CB ILE A2991 -12.526 19.172 -5.798 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.761 18.350 -6.351 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.220 18.334 -5.854 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.915 16.905 -5.861 1.00 0.00 C ATOM 0 H ILE A2991 -10.888 20.664 -4.589 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.748 20.299 -4.389 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.399 20.026 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.671 18.893 -6.094 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.696 18.333 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.089 17.931 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.370 18.968 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.283 17.513 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.799 16.459 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.033 16.330 -6.142 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.023 16.898 -4.776 1.00 0.00 H new ATOM 607 N ARG A2992 -14.093 18.476 -2.740 1.00 0.00 N ATOM 608 CA ARG A2992 -14.370 17.426 -1.748 1.00 0.00 C ATOM 609 C ARG A2992 -15.335 16.381 -2.356 1.00 0.00 C ATOM 610 O ARG A2992 -16.338 16.760 -2.981 1.00 0.00 O ATOM 611 CB ARG A2992 -14.938 18.050 -0.434 1.00 0.00 C ATOM 612 CG ARG A2992 -16.319 18.737 -0.566 1.00 0.00 C ATOM 613 CD ARG A2992 -16.705 19.532 0.693 1.00 0.00 C ATOM 614 NE ARG A2992 -15.726 20.605 0.972 1.00 0.00 N ATOM 615 CZ ARG A2992 -15.866 21.902 0.650 1.00 0.00 C ATOM 616 NH1 ARG A2992 -16.970 22.344 0.058 1.00 0.00 N ATOM 617 NH2 ARG A2992 -14.891 22.752 0.920 1.00 0.00 N ATOM 0 H ARG A2992 -14.920 19.008 -3.012 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.442 16.918 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.013 17.265 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.222 18.782 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.307 19.407 -1.425 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.080 17.981 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -17.696 19.966 0.562 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -16.763 18.858 1.548 1.00 0.00 H new ATOM 0 HE ARG A2992 -14.867 20.336 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -17.727 21.696 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -17.061 23.332 -0.180 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -14.037 22.422 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -14.992 23.738 0.678 1.00 0.00 H new