USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 42:sc= 0.0318 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.617 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.483 K(o=-0.48,f=-1) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -101:sc= 0.254 USER MOD Single : A 57 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.303 5.415 -1.851 1.00 0.00 N ATOM 67 CA LYS A 8 0.356 5.351 -0.400 1.00 0.00 C ATOM 68 C LYS A 8 1.079 4.071 0.024 1.00 0.00 C ATOM 69 O LYS A 8 1.194 3.130 -0.760 1.00 0.00 O ATOM 70 CB LYS A 8 -1.048 5.490 0.193 1.00 0.00 C ATOM 71 CG LYS A 8 -1.292 6.914 0.697 1.00 0.00 C ATOM 72 CD LYS A 8 -2.788 7.226 0.754 1.00 0.00 C ATOM 73 CE LYS A 8 -3.281 7.286 2.201 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.107 6.099 2.517 1.00 0.00 N ATOM 0 HA LYS A 8 0.930 6.188 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.792 5.235 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.171 4.784 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.854 7.033 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.793 7.627 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.984 8.178 0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.343 6.463 0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.430 7.335 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.864 8.194 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.433 6.156 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.929 6.069 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.539 5.237 2.389 1.00 0.00 H new ATOM 88 N TYR A 9 1.548 4.077 1.263 1.00 0.00 N ATOM 89 CA TYR A 9 2.257 2.928 1.800 1.00 0.00 C ATOM 90 C TYR A 9 1.845 2.659 3.249 1.00 0.00 C ATOM 91 O TYR A 9 1.251 3.517 3.900 1.00 0.00 O ATOM 92 CB TYR A 9 3.742 3.294 1.764 1.00 0.00 C ATOM 93 CG TYR A 9 4.276 3.588 0.361 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.411 2.564 -0.554 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.623 4.877 0.011 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.915 2.840 -1.875 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.127 5.153 -1.310 1.00 0.00 C ATOM 98 CZ TYR A 9 5.248 4.121 -2.187 1.00 0.00 C ATOM 99 OH TYR A 9 5.723 4.382 -3.435 1.00 0.00 O ATOM 0 H TYR A 9 1.451 4.859 1.910 1.00 0.00 H new ATOM 0 HA TYR A 9 2.033 2.033 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.906 4.168 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.318 2.476 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.139 1.555 -0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.517 5.678 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.026 2.048 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.403 6.157 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 9 5.919 5.339 -3.517 1.00 0.00 H new ATOM 109 N VAL A 10 2.177 1.463 3.712 1.00 0.00 N ATOM 110 CA VAL A 10 1.850 1.069 5.072 1.00 0.00 C ATOM 111 C VAL A 10 3.108 0.540 5.762 1.00 0.00 C ATOM 112 O VAL A 10 3.880 -0.209 5.165 1.00 0.00 O ATOM 113 CB VAL A 10 0.703 0.057 5.062 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.183 -1.311 4.573 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.054 -0.051 6.444 1.00 0.00 C ATOM 0 H VAL A 10 2.669 0.753 3.169 1.00 0.00 H new ATOM 0 HA VAL A 10 1.502 1.928 5.645 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.054 0.416 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.348 -2.012 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.576 -1.218 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.968 -1.679 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.758 -0.777 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.799 -0.374 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.341 0.922 6.737 1.00 0.00 H new ATOM 125 N LYS A 11 3.277 0.949 7.011 1.00 0.00 N ATOM 126 CA LYS A 11 4.428 0.526 7.789 1.00 0.00 C ATOM 127 C LYS A 11 4.026 -0.640 8.694 1.00 0.00 C ATOM 128 O LYS A 11 3.260 -0.461 9.640 1.00 0.00 O ATOM 129 CB LYS A 11 5.030 1.712 8.545 1.00 0.00 C ATOM 130 CG LYS A 11 5.865 1.237 9.736 1.00 0.00 C ATOM 131 CD LYS A 11 7.173 2.023 9.838 1.00 0.00 C ATOM 132 CE LYS A 11 8.169 1.314 10.758 1.00 0.00 C ATOM 133 NZ LYS A 11 8.911 2.300 11.576 1.00 0.00 N ATOM 0 H LYS A 11 2.635 1.570 7.504 1.00 0.00 H new ATOM 0 HA LYS A 11 5.218 0.163 7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.653 2.299 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.232 2.368 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.293 1.356 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.083 0.174 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.609 2.140 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.971 3.024 10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.640 0.617 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.868 0.726 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.583 1.802 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.431 2.948 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.241 2.843 12.158 1.00 0.00 H new ATOM 147 N ILE A 12 4.560 -1.809 8.373 1.00 0.00 N ATOM 148 CA ILE A 12 4.266 -3.004 9.145 1.00 0.00 C ATOM 149 C ILE A 12 4.722 -2.797 10.591 1.00 0.00 C ATOM 150 O ILE A 12 5.833 -2.329 10.834 1.00 0.00 O ATOM 151 CB ILE A 12 4.878 -4.238 8.478 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.451 -4.338 7.012 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.542 -5.508 9.261 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.926 -4.369 6.887 1.00 0.00 C ATOM 0 H ILE A 12 5.195 -1.954 7.588 1.00 0.00 H new ATOM 0 HA ILE A 12 3.191 -3.185 9.172 1.00 0.00 H new ATOM 0 HB ILE A 12 5.963 -4.130 8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.848 -3.489 6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.875 -5.238 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.989 -6.370 8.765 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.937 -5.426 10.274 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.460 -5.634 9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.649 -4.440 5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.534 -5.232 7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.508 -3.456 7.312 1.00 0.00 H new ATOM 166 N LEU A 13 3.841 -3.156 11.513 1.00 0.00 N ATOM 167 CA LEU A 13 4.139 -3.015 12.928 1.00 0.00 C ATOM 168 C LEU A 13 4.636 -4.354 13.476 1.00 0.00 C ATOM 169 O LEU A 13 5.490 -4.389 14.360 1.00 0.00 O ATOM 170 CB LEU A 13 2.928 -2.455 13.677 1.00 0.00 C ATOM 171 CG LEU A 13 2.362 -1.137 13.146 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.118 -0.718 13.932 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.431 -0.043 13.141 1.00 0.00 C ATOM 0 H LEU A 13 2.920 -3.544 11.308 1.00 0.00 H new ATOM 0 HA LEU A 13 4.940 -2.292 13.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.135 -3.203 13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.205 -2.314 14.722 1.00 0.00 H new ATOM 0 HG LEU A 13 2.053 -1.291 12.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.736 0.222 13.534 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.353 -1.489 13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.378 -0.588 14.983 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.002 0.883 12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.793 0.117 14.157 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.261 -0.348 12.504 1.00 0.00 H new ATOM 185 N TYR A 14 4.079 -5.425 12.927 1.00 0.00 N ATOM 186 CA TYR A 14 4.455 -6.763 13.350 1.00 0.00 C ATOM 187 C TYR A 14 4.761 -7.653 12.144 1.00 0.00 C ATOM 188 O TYR A 14 3.999 -7.680 11.179 1.00 0.00 O ATOM 189 CB TYR A 14 3.242 -7.327 14.091 1.00 0.00 C ATOM 190 CG TYR A 14 2.633 -6.365 15.113 1.00 0.00 C ATOM 191 CD1 TYR A 14 1.828 -5.327 14.690 1.00 0.00 C ATOM 192 CD2 TYR A 14 2.890 -6.534 16.459 1.00 0.00 C ATOM 193 CE1 TYR A 14 1.256 -4.421 15.652 1.00 0.00 C ATOM 194 CE2 TYR A 14 2.318 -5.628 17.421 1.00 0.00 C ATOM 195 CZ TYR A 14 1.529 -4.616 16.970 1.00 0.00 C ATOM 196 OH TYR A 14 0.989 -3.760 17.878 1.00 0.00 O ATOM 0 H TYR A 14 3.371 -5.392 12.194 1.00 0.00 H new ATOM 0 HA TYR A 14 5.348 -6.732 13.974 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.478 -7.598 13.362 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.535 -8.244 14.601 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.627 -5.194 13.637 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.520 -7.346 16.790 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.624 -3.605 15.334 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.511 -5.749 18.477 1.00 0.00 H new ATOM 0 HH TYR A 14 1.268 -4.021 18.780 1.00 0.00 H new ATOM 206 N ASP A 15 5.877 -8.361 12.239 1.00 0.00 N ATOM 207 CA ASP A 15 6.292 -9.251 11.168 1.00 0.00 C ATOM 208 C ASP A 15 5.259 -10.368 11.009 1.00 0.00 C ATOM 209 O ASP A 15 5.095 -11.198 11.901 1.00 0.00 O ATOM 210 CB ASP A 15 7.643 -9.897 11.481 1.00 0.00 C ATOM 211 CG ASP A 15 7.856 -10.269 12.950 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.900 -10.815 13.542 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.971 -10.000 13.447 1.00 0.00 O ATOM 0 H ASP A 15 6.507 -8.336 13.041 1.00 0.00 H new ATOM 0 HA ASP A 15 6.377 -8.662 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.748 -10.797 10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.435 -9.213 11.176 1.00 0.00 H new ATOM 218 N PHE A 16 4.589 -10.352 9.866 1.00 0.00 N ATOM 219 CA PHE A 16 3.576 -11.353 9.578 1.00 0.00 C ATOM 220 C PHE A 16 4.099 -12.392 8.584 1.00 0.00 C ATOM 221 O PHE A 16 4.894 -12.068 7.703 1.00 0.00 O ATOM 222 CB PHE A 16 2.387 -10.620 8.954 1.00 0.00 C ATOM 223 CG PHE A 16 1.206 -11.530 8.609 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.342 -11.922 9.583 1.00 0.00 C ATOM 225 CD2 PHE A 16 1.022 -11.948 7.328 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.753 -12.767 9.262 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.074 -12.793 7.007 1.00 0.00 C ATOM 228 CZ PHE A 16 -0.938 -13.184 7.981 1.00 0.00 C ATOM 0 H PHE A 16 4.728 -9.661 9.128 1.00 0.00 H new ATOM 0 HA PHE A 16 3.297 -11.874 10.494 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.047 -9.847 9.643 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.720 -10.115 8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.489 -11.591 10.600 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.709 -11.638 6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.439 -13.079 10.036 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.221 -13.125 5.990 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.772 -13.826 7.737 1.00 0.00 H new ATOM 238 N THR A 17 3.630 -13.619 8.758 1.00 0.00 N ATOM 239 CA THR A 17 4.041 -14.707 7.887 1.00 0.00 C ATOM 240 C THR A 17 2.833 -15.278 7.141 1.00 0.00 C ATOM 241 O THR A 17 1.972 -15.917 7.745 1.00 0.00 O ATOM 242 CB THR A 17 4.775 -15.744 8.739 1.00 0.00 C ATOM 243 OG1 THR A 17 6.046 -15.151 8.990 1.00 0.00 O ATOM 244 CG2 THR A 17 5.106 -17.017 7.956 1.00 0.00 C ATOM 0 H THR A 17 2.970 -13.884 9.489 1.00 0.00 H new ATOM 0 HA THR A 17 4.726 -14.358 7.114 1.00 0.00 H new ATOM 0 HB THR A 17 4.165 -15.999 9.605 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.587 -15.757 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.626 -17.720 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.184 -17.472 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.744 -16.767 7.108 1.00 0.00 H new ATOM 252 N ALA A 18 2.807 -15.027 5.841 1.00 0.00 N ATOM 253 CA ALA A 18 1.719 -15.508 5.007 1.00 0.00 C ATOM 254 C ALA A 18 1.393 -16.954 5.385 1.00 0.00 C ATOM 255 O ALA A 18 2.211 -17.851 5.186 1.00 0.00 O ATOM 256 CB ALA A 18 2.102 -15.363 3.533 1.00 0.00 C ATOM 0 H ALA A 18 3.522 -14.496 5.344 1.00 0.00 H new ATOM 0 HA ALA A 18 0.820 -14.914 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.285 -15.724 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.294 -14.314 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.999 -15.948 3.331 1.00 0.00 H new ATOM 324 N GLU A 23 -2.298 -14.416 1.154 1.00 0.00 N ATOM 325 CA GLU A 23 -1.636 -13.672 2.212 1.00 0.00 C ATOM 326 C GLU A 23 -0.204 -13.324 1.801 1.00 0.00 C ATOM 327 O GLU A 23 0.448 -14.093 1.096 1.00 0.00 O ATOM 328 CB GLU A 23 -1.654 -14.455 3.526 1.00 0.00 C ATOM 329 CG GLU A 23 -3.088 -14.697 4.001 1.00 0.00 C ATOM 330 CD GLU A 23 -3.115 -15.121 5.471 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.400 -16.094 5.794 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.851 -14.463 6.238 1.00 0.00 O ATOM 0 HA GLU A 23 -2.183 -12.743 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.146 -15.410 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.103 -13.905 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.676 -13.789 3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.553 -15.469 3.388 1.00 0.00 H new ATOM 339 N LEU A 24 0.243 -12.163 2.257 1.00 0.00 N ATOM 340 CA LEU A 24 1.586 -11.704 1.946 1.00 0.00 C ATOM 341 C LEU A 24 2.451 -11.777 3.205 1.00 0.00 C ATOM 342 O LEU A 24 1.962 -11.554 4.312 1.00 0.00 O ATOM 343 CB LEU A 24 1.542 -10.312 1.310 1.00 0.00 C ATOM 344 CG LEU A 24 2.751 -9.927 0.456 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.591 -10.429 -0.980 1.00 0.00 C ATOM 346 CD2 LEU A 24 3.003 -8.418 0.511 1.00 0.00 C ATOM 0 H LEU A 24 -0.301 -11.527 2.839 1.00 0.00 H new ATOM 0 HA LEU A 24 2.048 -12.355 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.648 -10.246 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.434 -9.574 2.105 1.00 0.00 H new ATOM 0 HG LEU A 24 3.632 -10.416 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.464 -10.142 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.497 -11.515 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.697 -9.989 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.868 -8.171 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.127 -7.889 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.194 -8.118 1.542 1.00 0.00 H new ATOM 358 N SER A 25 3.721 -12.091 2.995 1.00 0.00 N ATOM 359 CA SER A 25 4.658 -12.197 4.100 1.00 0.00 C ATOM 360 C SER A 25 5.476 -10.909 4.218 1.00 0.00 C ATOM 361 O SER A 25 6.180 -10.530 3.283 1.00 0.00 O ATOM 362 CB SER A 25 5.586 -13.401 3.922 1.00 0.00 C ATOM 363 OG SER A 25 6.087 -13.496 2.592 1.00 0.00 O ATOM 0 H SER A 25 4.123 -12.275 2.076 1.00 0.00 H new ATOM 0 HA SER A 25 4.089 -12.344 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.420 -13.322 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.047 -14.315 4.173 1.00 0.00 H new ATOM 0 HG SER A 25 6.334 -12.604 2.271 1.00 0.00 H new ATOM 369 N VAL A 26 5.356 -10.273 5.373 1.00 0.00 N ATOM 370 CA VAL A 26 6.075 -9.036 5.625 1.00 0.00 C ATOM 371 C VAL A 26 6.733 -9.105 7.005 1.00 0.00 C ATOM 372 O VAL A 26 6.289 -9.857 7.871 1.00 0.00 O ATOM 373 CB VAL A 26 5.132 -7.841 5.472 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.668 -7.691 4.022 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.937 -7.961 6.420 1.00 0.00 C ATOM 0 H VAL A 26 4.771 -10.591 6.146 1.00 0.00 H new ATOM 0 HA VAL A 26 6.870 -8.901 4.892 1.00 0.00 H new ATOM 0 HB VAL A 26 5.685 -6.941 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.999 -6.834 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.533 -7.538 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.141 -8.594 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.282 -7.099 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.384 -8.873 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.292 -7.996 7.450 1.00 0.00 H new ATOM 385 N LEU A 27 7.782 -8.311 7.165 1.00 0.00 N ATOM 386 CA LEU A 27 8.506 -8.273 8.425 1.00 0.00 C ATOM 387 C LEU A 27 8.168 -6.976 9.163 1.00 0.00 C ATOM 388 O LEU A 27 7.402 -6.154 8.662 1.00 0.00 O ATOM 389 CB LEU A 27 10.004 -8.475 8.188 1.00 0.00 C ATOM 390 CG LEU A 27 10.422 -9.852 7.670 1.00 0.00 C ATOM 391 CD1 LEU A 27 10.295 -10.912 8.766 1.00 0.00 C ATOM 392 CD2 LEU A 27 9.632 -10.228 6.414 1.00 0.00 C ATOM 0 H LEU A 27 8.148 -7.689 6.444 1.00 0.00 H new ATOM 0 HA LEU A 27 8.196 -9.096 9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.344 -7.723 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.528 -8.287 9.125 1.00 0.00 H new ATOM 0 HG LEU A 27 11.474 -9.806 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.598 -11.882 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.936 -10.645 9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.260 -10.965 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.948 -11.211 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.567 -10.251 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.817 -9.490 5.633 1.00 0.00 H new ATOM 404 N LYS A 28 8.757 -6.833 10.341 1.00 0.00 N ATOM 405 CA LYS A 28 8.529 -5.650 11.153 1.00 0.00 C ATOM 406 C LYS A 28 9.423 -4.513 10.653 1.00 0.00 C ATOM 407 O LYS A 28 10.563 -4.745 10.254 1.00 0.00 O ATOM 408 CB LYS A 28 8.717 -5.973 12.636 1.00 0.00 C ATOM 409 CG LYS A 28 8.633 -4.705 13.489 1.00 0.00 C ATOM 410 CD LYS A 28 9.409 -4.872 14.797 1.00 0.00 C ATOM 411 CE LYS A 28 8.501 -5.401 15.909 1.00 0.00 C ATOM 412 NZ LYS A 28 9.287 -6.177 16.894 1.00 0.00 N ATOM 0 H LYS A 28 9.392 -7.517 10.753 1.00 0.00 H new ATOM 0 HA LYS A 28 7.497 -5.313 11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.954 -6.682 12.957 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.683 -6.454 12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.033 -3.859 12.930 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.590 -4.478 13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.242 -5.559 14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.836 -3.915 15.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.003 -4.569 16.407 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.720 -6.030 15.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.656 -6.529 17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.742 -6.982 16.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.016 -5.566 17.315 1.00 0.00 H new ATOM 426 N ASP A 29 8.872 -3.309 10.691 1.00 0.00 N ATOM 427 CA ASP A 29 9.605 -2.136 10.247 1.00 0.00 C ATOM 428 C ASP A 29 9.730 -2.164 8.722 1.00 0.00 C ATOM 429 O ASP A 29 10.686 -1.629 8.164 1.00 0.00 O ATOM 430 CB ASP A 29 11.017 -2.113 10.836 1.00 0.00 C ATOM 431 CG ASP A 29 11.657 -0.726 10.929 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.077 0.207 10.333 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.711 -0.631 11.593 1.00 0.00 O ATOM 0 H ASP A 29 7.926 -3.120 11.023 1.00 0.00 H new ATOM 0 HA ASP A 29 9.060 -1.253 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.985 -2.549 11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.658 -2.752 10.229 1.00 0.00 H new ATOM 438 N GLU A 30 8.749 -2.795 8.092 1.00 0.00 N ATOM 439 CA GLU A 30 8.737 -2.900 6.643 1.00 0.00 C ATOM 440 C GLU A 30 7.654 -1.994 6.054 1.00 0.00 C ATOM 441 O GLU A 30 6.741 -1.572 6.761 1.00 0.00 O ATOM 442 CB GLU A 30 8.539 -4.351 6.200 1.00 0.00 C ATOM 443 CG GLU A 30 9.885 -5.045 5.978 1.00 0.00 C ATOM 444 CD GLU A 30 9.707 -6.346 5.193 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.584 -6.554 4.685 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.699 -7.104 5.119 1.00 0.00 O ATOM 0 H GLU A 30 7.958 -3.238 8.559 1.00 0.00 H new ATOM 0 HA GLU A 30 9.705 -2.569 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.968 -4.891 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.956 -4.378 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.557 -4.379 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.352 -5.257 6.940 1.00 0.00 H new ATOM 453 N VAL A 31 7.791 -1.723 4.764 1.00 0.00 N ATOM 454 CA VAL A 31 6.835 -0.875 4.072 1.00 0.00 C ATOM 455 C VAL A 31 6.449 -1.529 2.744 1.00 0.00 C ATOM 456 O VAL A 31 7.304 -1.762 1.890 1.00 0.00 O ATOM 457 CB VAL A 31 7.411 0.532 3.901 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.499 1.395 3.028 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.657 1.192 5.259 1.00 0.00 C ATOM 0 H VAL A 31 8.549 -2.076 4.180 1.00 0.00 H new ATOM 0 HA VAL A 31 5.923 -0.768 4.659 1.00 0.00 H new ATOM 0 HB VAL A 31 8.372 0.442 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.931 2.390 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.397 0.937 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.517 1.474 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.066 2.191 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.716 1.264 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.364 0.592 5.832 1.00 0.00 H new ATOM 469 N LEU A 32 5.160 -1.806 2.610 1.00 0.00 N ATOM 470 CA LEU A 32 4.650 -2.428 1.400 1.00 0.00 C ATOM 471 C LEU A 32 3.834 -1.403 0.610 1.00 0.00 C ATOM 472 O LEU A 32 3.673 -0.264 1.045 1.00 0.00 O ATOM 473 CB LEU A 32 3.874 -3.703 1.739 1.00 0.00 C ATOM 474 CG LEU A 32 4.683 -4.829 2.386 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.853 -5.247 1.493 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.147 -4.434 3.789 1.00 0.00 C ATOM 0 H LEU A 32 4.454 -1.611 3.320 1.00 0.00 H new ATOM 0 HA LEU A 32 5.472 -2.744 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.056 -3.439 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.425 -4.086 0.823 1.00 0.00 H new ATOM 0 HG LEU A 32 4.033 -5.698 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.411 -6.049 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.472 -5.598 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.511 -4.393 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.720 -5.252 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.774 -3.544 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.279 -4.224 4.414 1.00 0.00 H new ATOM 488 N GLU A 33 3.341 -1.845 -0.538 1.00 0.00 N ATOM 489 CA GLU A 33 2.546 -0.980 -1.393 1.00 0.00 C ATOM 490 C GLU A 33 1.064 -1.344 -1.285 1.00 0.00 C ATOM 491 O GLU A 33 0.624 -2.346 -1.846 1.00 0.00 O ATOM 492 CB GLU A 33 3.024 -1.054 -2.845 1.00 0.00 C ATOM 493 CG GLU A 33 2.114 -0.237 -3.764 1.00 0.00 C ATOM 494 CD GLU A 33 2.918 0.421 -4.887 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.933 1.071 -4.553 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.501 0.259 -6.054 1.00 0.00 O ATOM 0 H GLU A 33 3.477 -2.791 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 33 2.673 0.048 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.046 -0.681 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.040 -2.093 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.348 -0.884 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.598 0.529 -3.184 1.00 0.00 H new ATOM 503 N VAL A 34 0.334 -0.510 -0.559 1.00 0.00 N ATOM 504 CA VAL A 34 -1.089 -0.731 -0.369 1.00 0.00 C ATOM 505 C VAL A 34 -1.815 -0.526 -1.701 1.00 0.00 C ATOM 506 O VAL A 34 -1.800 0.571 -2.257 1.00 0.00 O ATOM 507 CB VAL A 34 -1.617 0.175 0.745 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.491 1.650 0.357 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.062 -0.177 1.101 1.00 0.00 C ATOM 0 H VAL A 34 0.702 0.321 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.276 -1.756 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.005 0.008 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.873 2.273 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.443 1.891 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.067 1.838 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.412 0.482 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.694 -0.053 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.111 -1.212 1.440 1.00 0.00 H new ATOM 519 N LEU A 35 -2.431 -1.599 -2.174 1.00 0.00 N ATOM 520 CA LEU A 35 -3.161 -1.550 -3.430 1.00 0.00 C ATOM 521 C LEU A 35 -4.652 -1.362 -3.142 1.00 0.00 C ATOM 522 O LEU A 35 -5.301 -0.509 -3.744 1.00 0.00 O ATOM 523 CB LEU A 35 -2.849 -2.784 -4.278 1.00 0.00 C ATOM 524 CG LEU A 35 -1.435 -3.353 -4.142 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.393 -4.823 -4.563 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.426 -2.505 -4.918 1.00 0.00 C ATOM 0 H LEU A 35 -2.440 -2.508 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.841 -0.694 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.561 -3.568 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.019 -2.533 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.149 -3.311 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.377 -5.203 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.065 -5.402 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.707 -4.913 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.571 -2.931 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.697 -2.492 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.432 -1.487 -4.529 1.00 0.00 H new ATOM 538 N GLU A 36 -5.150 -2.173 -2.220 1.00 0.00 N ATOM 539 CA GLU A 36 -6.553 -2.106 -1.845 1.00 0.00 C ATOM 540 C GLU A 36 -6.690 -1.980 -0.326 1.00 0.00 C ATOM 541 O GLU A 36 -6.175 -2.812 0.419 1.00 0.00 O ATOM 542 CB GLU A 36 -7.318 -3.325 -2.365 1.00 0.00 C ATOM 543 CG GLU A 36 -7.963 -3.030 -3.720 1.00 0.00 C ATOM 544 CD GLU A 36 -9.290 -2.288 -3.545 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.047 -2.687 -2.634 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.517 -1.340 -4.327 1.00 0.00 O ATOM 0 H GLU A 36 -4.608 -2.879 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.991 -1.220 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.639 -4.172 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.087 -3.610 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.284 -2.431 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.132 -3.963 -4.257 1.00 0.00 H new ATOM 553 N ASP A 37 -7.388 -0.932 0.087 1.00 0.00 N ATOM 554 CA ASP A 37 -7.600 -0.685 1.503 1.00 0.00 C ATOM 555 C ASP A 37 -9.064 -0.306 1.737 1.00 0.00 C ATOM 556 O ASP A 37 -9.861 -0.287 0.801 1.00 0.00 O ATOM 557 CB ASP A 37 -6.727 0.470 1.998 1.00 0.00 C ATOM 558 CG ASP A 37 -6.415 1.540 0.949 1.00 0.00 C ATOM 559 OD1 ASP A 37 -5.610 1.230 0.045 1.00 0.00 O ATOM 560 OD2 ASP A 37 -6.989 2.643 1.076 1.00 0.00 O ATOM 0 H ASP A 37 -7.814 -0.244 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.338 -1.593 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.225 0.945 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.787 0.062 2.370 1.00 0.00 H new ATOM 565 N GLY A 38 -9.373 -0.013 2.992 1.00 0.00 N ATOM 566 CA GLY A 38 -10.726 0.364 3.361 1.00 0.00 C ATOM 567 C GLY A 38 -11.548 -0.862 3.763 1.00 0.00 C ATOM 568 O GLY A 38 -12.655 -0.730 4.281 1.00 0.00 O ATOM 0 H GLY A 38 -8.709 -0.029 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.697 1.073 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.207 0.870 2.524 1.00 0.00 H new ATOM 572 N ARG A 39 -10.973 -2.029 3.509 1.00 0.00 N ATOM 573 CA ARG A 39 -11.638 -3.278 3.838 1.00 0.00 C ATOM 574 C ARG A 39 -10.934 -3.960 5.013 1.00 0.00 C ATOM 575 O ARG A 39 -9.813 -3.597 5.365 1.00 0.00 O ATOM 576 CB ARG A 39 -11.650 -4.228 2.639 1.00 0.00 C ATOM 577 CG ARG A 39 -13.021 -4.889 2.477 1.00 0.00 C ATOM 578 CD ARG A 39 -13.203 -5.432 1.058 1.00 0.00 C ATOM 579 NE ARG A 39 -14.589 -5.919 0.877 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.630 -5.130 0.577 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.448 -3.812 0.423 1.00 0.00 N ATOM 582 NH2 ARG A 39 -16.852 -5.659 0.432 1.00 0.00 N ATOM 0 H ARG A 39 -10.054 -2.135 3.079 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.667 -3.044 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.398 -3.678 1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.886 -4.994 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.125 -5.701 3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.806 -4.165 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.985 -4.651 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.497 -6.243 0.876 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.763 -6.918 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.517 -3.409 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.240 -3.211 0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.991 -6.663 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.644 -5.058 0.204 1.00 0.00 H new ATOM 596 N GLN A 40 -11.622 -4.937 5.587 1.00 0.00 N ATOM 597 CA GLN A 40 -11.077 -5.673 6.715 1.00 0.00 C ATOM 598 C GLN A 40 -9.579 -5.916 6.516 1.00 0.00 C ATOM 599 O GLN A 40 -8.759 -5.421 7.288 1.00 0.00 O ATOM 600 CB GLN A 40 -11.823 -6.993 6.920 1.00 0.00 C ATOM 601 CG GLN A 40 -13.297 -6.743 7.247 1.00 0.00 C ATOM 602 CD GLN A 40 -13.859 -7.858 8.132 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.504 -9.019 8.012 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.753 -7.442 9.024 1.00 0.00 N ATOM 0 H GLN A 40 -12.552 -5.236 5.292 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.212 -5.073 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.745 -7.603 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.358 -7.556 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.403 -5.784 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.873 -6.682 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.005 -6.455 9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.187 -8.110 9.661 1.00 0.00 H new ATOM 613 N TRP A 41 -9.268 -6.678 5.478 1.00 0.00 N ATOM 614 CA TRP A 41 -7.884 -6.992 5.168 1.00 0.00 C ATOM 615 C TRP A 41 -7.472 -6.165 3.948 1.00 0.00 C ATOM 616 O TRP A 41 -8.197 -6.114 2.956 1.00 0.00 O ATOM 617 CB TRP A 41 -7.696 -8.496 4.962 1.00 0.00 C ATOM 618 CG TRP A 41 -7.988 -9.337 6.206 1.00 0.00 C ATOM 619 CD1 TRP A 41 -9.085 -9.320 6.975 1.00 0.00 C ATOM 620 CD2 TRP A 41 -7.120 -10.326 6.799 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.989 -10.221 8.015 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.755 -10.853 7.905 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.840 -10.761 6.413 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -7.188 -11.843 8.716 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.287 -11.751 7.234 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.913 -12.292 8.351 1.00 0.00 C ATOM 0 H TRP A 41 -9.951 -7.087 4.841 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.233 -6.729 6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.347 -8.825 4.153 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.671 -8.683 4.642 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.938 -8.681 6.802 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.693 -10.392 8.733 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.324 -10.363 5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.706 -12.239 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.304 -12.121 6.982 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.418 -13.055 8.934 1.00 0.00 H new ATOM 637 N TRP A 42 -6.310 -5.539 4.063 1.00 0.00 N ATOM 638 CA TRP A 42 -5.794 -4.717 2.981 1.00 0.00 C ATOM 639 C TRP A 42 -4.998 -5.621 2.038 1.00 0.00 C ATOM 640 O TRP A 42 -4.633 -6.737 2.404 1.00 0.00 O ATOM 641 CB TRP A 42 -4.970 -3.549 3.526 1.00 0.00 C ATOM 642 CG TRP A 42 -5.775 -2.558 4.369 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.083 -2.596 4.661 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.270 -1.373 5.020 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.455 -1.526 5.450 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.318 -0.759 5.675 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.970 -0.838 5.055 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.175 0.422 6.412 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.844 0.343 5.795 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.889 0.974 6.461 1.00 0.00 C ATOM 0 H TRP A 42 -5.712 -5.584 4.888 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.610 -4.262 2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.154 -3.945 4.130 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.518 -3.015 2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.760 -3.366 4.322 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.392 -1.334 5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.135 -1.302 4.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.012 0.883 6.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.866 0.797 5.853 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.710 1.885 7.013 1.00 0.00 H new ATOM 661 N LYS A 43 -4.753 -5.106 0.842 1.00 0.00 N ATOM 662 CA LYS A 43 -4.008 -5.854 -0.156 1.00 0.00 C ATOM 663 C LYS A 43 -2.693 -5.129 -0.453 1.00 0.00 C ATOM 664 O LYS A 43 -2.672 -4.161 -1.212 1.00 0.00 O ATOM 665 CB LYS A 43 -4.869 -6.098 -1.397 1.00 0.00 C ATOM 666 CG LYS A 43 -4.274 -7.205 -2.268 1.00 0.00 C ATOM 667 CD LYS A 43 -4.933 -7.230 -3.649 1.00 0.00 C ATOM 668 CE LYS A 43 -4.227 -8.222 -4.576 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.102 -8.582 -5.713 1.00 0.00 N ATOM 0 H LYS A 43 -5.057 -4.180 0.542 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.750 -6.843 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.880 -6.372 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.948 -5.178 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.200 -7.050 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.409 -8.170 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.983 -7.504 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.904 -6.233 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.300 -7.785 -4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.956 -9.119 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.607 -9.256 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.975 -9.018 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.339 -7.726 -6.253 1.00 0.00 H new ATOM 683 N LEU A 44 -1.629 -5.625 0.162 1.00 0.00 N ATOM 684 CA LEU A 44 -0.314 -5.036 -0.027 1.00 0.00 C ATOM 685 C LEU A 44 0.491 -5.901 -1.000 1.00 0.00 C ATOM 686 O LEU A 44 0.133 -7.048 -1.259 1.00 0.00 O ATOM 687 CB LEU A 44 0.376 -4.822 1.321 1.00 0.00 C ATOM 688 CG LEU A 44 -0.520 -4.336 2.463 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.250 -3.048 2.076 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.489 -5.434 2.906 1.00 0.00 C ATOM 0 H LEU A 44 -1.651 -6.428 0.791 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.400 -4.046 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.839 -5.761 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.181 -4.100 1.184 1.00 0.00 H new ATOM 0 HG LEU A 44 0.113 -4.103 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.880 -2.724 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.521 -2.271 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.870 -3.231 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.114 -5.062 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.120 -5.723 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.924 -6.301 3.250 1.00 0.00 H new ATOM 702 N ARG A 45 1.565 -5.316 -1.511 1.00 0.00 N ATOM 703 CA ARG A 45 2.424 -6.018 -2.449 1.00 0.00 C ATOM 704 C ARG A 45 3.890 -5.878 -2.034 1.00 0.00 C ATOM 705 O ARG A 45 4.336 -4.788 -1.676 1.00 0.00 O ATOM 706 CB ARG A 45 2.249 -5.475 -3.869 1.00 0.00 C ATOM 707 CG ARG A 45 3.171 -6.201 -4.851 1.00 0.00 C ATOM 708 CD ARG A 45 3.638 -5.259 -5.963 1.00 0.00 C ATOM 709 NE ARG A 45 4.449 -4.162 -5.390 1.00 0.00 N ATOM 710 CZ ARG A 45 4.997 -3.176 -6.113 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.825 -3.145 -7.441 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.718 -2.222 -5.508 1.00 0.00 N ATOM 0 H ARG A 45 1.859 -4.364 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 45 2.138 -7.070 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.212 -5.594 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.466 -4.407 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.035 -6.598 -4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.647 -7.052 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.225 -5.812 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.776 -4.849 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 45 4.600 -4.156 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.277 -3.872 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.242 -2.395 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.850 -2.246 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.135 -1.472 -6.059 1.00 0.00 H new ATOM 726 N SER A 46 4.599 -6.995 -2.095 1.00 0.00 N ATOM 727 CA SER A 46 6.005 -7.010 -1.730 1.00 0.00 C ATOM 728 C SER A 46 6.861 -6.594 -2.927 1.00 0.00 C ATOM 729 O SER A 46 6.380 -6.567 -4.059 1.00 0.00 O ATOM 730 CB SER A 46 6.429 -8.393 -1.229 1.00 0.00 C ATOM 731 OG SER A 46 6.374 -9.374 -2.260 1.00 0.00 O ATOM 0 H SER A 46 4.226 -7.897 -2.392 1.00 0.00 H new ATOM 0 HA SER A 46 6.155 -6.297 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.443 -8.340 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.781 -8.695 -0.406 1.00 0.00 H new ATOM 0 HG SER A 46 6.653 -10.242 -1.901 1.00 0.00 H new ATOM 737 N ARG A 47 8.115 -6.280 -2.637 1.00 0.00 N ATOM 738 CA ARG A 47 9.043 -5.866 -3.675 1.00 0.00 C ATOM 739 C ARG A 47 9.372 -7.045 -4.594 1.00 0.00 C ATOM 740 O ARG A 47 9.897 -6.855 -5.690 1.00 0.00 O ATOM 741 CB ARG A 47 10.339 -5.323 -3.072 1.00 0.00 C ATOM 742 CG ARG A 47 10.223 -3.825 -2.781 1.00 0.00 C ATOM 743 CD ARG A 47 10.535 -3.525 -1.314 1.00 0.00 C ATOM 744 NE ARG A 47 11.998 -3.419 -1.119 1.00 0.00 N ATOM 745 CZ ARG A 47 12.750 -2.421 -1.601 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.181 -1.436 -2.310 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.071 -2.407 -1.375 1.00 0.00 N ATOM 0 H ARG A 47 8.510 -6.304 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 47 8.564 -5.074 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.569 -5.859 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.166 -5.501 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.909 -3.272 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.216 -3.482 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.052 -2.595 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.131 -4.314 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 47 12.463 -4.152 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.176 -1.447 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.753 -0.676 -2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.504 -3.157 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.643 -1.647 -1.742 1.00 0.00 H new ATOM 761 N SER A 48 9.048 -8.237 -4.113 1.00 0.00 N ATOM 762 CA SER A 48 9.303 -9.446 -4.877 1.00 0.00 C ATOM 763 C SER A 48 8.270 -9.584 -5.998 1.00 0.00 C ATOM 764 O SER A 48 8.324 -10.529 -6.783 1.00 0.00 O ATOM 765 CB SER A 48 9.276 -10.683 -3.976 1.00 0.00 C ATOM 766 OG SER A 48 10.523 -11.373 -3.981 1.00 0.00 O ATOM 0 H SER A 48 8.611 -8.391 -3.204 1.00 0.00 H new ATOM 0 HA SER A 48 10.298 -9.370 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.031 -10.384 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.487 -11.357 -4.309 1.00 0.00 H new ATOM 0 HG SER A 48 10.466 -12.155 -3.393 1.00 0.00 H new ATOM 772 N GLY A 49 7.354 -8.628 -6.035 1.00 0.00 N ATOM 773 CA GLY A 49 6.311 -8.630 -7.047 1.00 0.00 C ATOM 774 C GLY A 49 5.155 -9.547 -6.640 1.00 0.00 C ATOM 775 O GLY A 49 4.478 -10.115 -7.495 1.00 0.00 O ATOM 0 H GLY A 49 7.312 -7.847 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.941 -7.616 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.724 -8.961 -8.000 1.00 0.00 H new ATOM 779 N GLN A 50 4.965 -9.662 -5.334 1.00 0.00 N ATOM 780 CA GLN A 50 3.903 -10.499 -4.803 1.00 0.00 C ATOM 781 C GLN A 50 2.840 -9.638 -4.117 1.00 0.00 C ATOM 782 O GLN A 50 3.135 -8.541 -3.644 1.00 0.00 O ATOM 783 CB GLN A 50 4.462 -11.549 -3.841 1.00 0.00 C ATOM 784 CG GLN A 50 5.400 -12.515 -4.567 1.00 0.00 C ATOM 785 CD GLN A 50 4.674 -13.230 -5.709 1.00 0.00 C ATOM 786 OE1 GLN A 50 4.596 -12.748 -6.827 1.00 0.00 O ATOM 787 NE2 GLN A 50 4.148 -14.402 -5.366 1.00 0.00 N ATOM 0 H GLN A 50 5.529 -9.189 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 50 3.434 -11.027 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.999 -11.056 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.642 -12.105 -3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.256 -11.968 -4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.788 -13.250 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.250 -14.747 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.642 -14.956 -6.057 1.00 0.00 H new ATOM 796 N ALA A 51 1.626 -10.167 -4.086 1.00 0.00 N ATOM 797 CA ALA A 51 0.518 -9.460 -3.466 1.00 0.00 C ATOM 798 C ALA A 51 -0.310 -10.445 -2.637 1.00 0.00 C ATOM 799 O ALA A 51 -0.697 -11.504 -3.128 1.00 0.00 O ATOM 800 CB ALA A 51 -0.314 -8.766 -4.547 1.00 0.00 C ATOM 0 H ALA A 51 1.385 -11.076 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 51 0.886 -8.687 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.145 -8.236 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.312 -8.056 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.702 -9.511 -5.242 1.00 0.00 H new ATOM 806 N GLY A 52 -0.556 -10.060 -1.393 1.00 0.00 N ATOM 807 CA GLY A 52 -1.330 -10.896 -0.491 1.00 0.00 C ATOM 808 C GLY A 52 -2.090 -10.045 0.529 1.00 0.00 C ATOM 809 O GLY A 52 -1.672 -8.933 0.849 1.00 0.00 O ATOM 0 H GLY A 52 -0.233 -9.181 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.034 -11.500 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.667 -11.587 0.029 1.00 0.00 H new ATOM 813 N TYR A 53 -3.192 -10.599 1.011 1.00 0.00 N ATOM 814 CA TYR A 53 -4.014 -9.905 1.988 1.00 0.00 C ATOM 815 C TYR A 53 -3.501 -10.150 3.408 1.00 0.00 C ATOM 816 O TYR A 53 -3.028 -11.241 3.722 1.00 0.00 O ATOM 817 CB TYR A 53 -5.418 -10.498 1.856 1.00 0.00 C ATOM 818 CG TYR A 53 -6.204 -9.974 0.653 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.600 -8.653 0.610 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.518 -10.822 -0.390 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.341 -8.159 -0.522 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.258 -10.329 -1.522 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.633 -9.022 -1.533 1.00 0.00 C ATOM 824 OH TYR A 53 -8.332 -8.556 -2.602 1.00 0.00 O ATOM 0 H TYR A 53 -3.536 -11.521 0.743 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.996 -8.830 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.338 -11.582 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.979 -10.283 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.354 -7.989 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.208 -11.856 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.658 -7.127 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.510 -10.983 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.467 -9.282 -3.246 1.00 0.00 H new ATOM 834 N VAL A 54 -3.613 -9.116 4.230 1.00 0.00 N ATOM 835 CA VAL A 54 -3.167 -9.205 5.610 1.00 0.00 C ATOM 836 C VAL A 54 -4.115 -8.400 6.501 1.00 0.00 C ATOM 837 O VAL A 54 -4.912 -7.605 6.006 1.00 0.00 O ATOM 838 CB VAL A 54 -1.711 -8.748 5.719 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.757 -9.945 5.699 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.364 -7.752 4.611 1.00 0.00 C ATOM 0 H VAL A 54 -4.006 -8.213 3.966 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.196 -10.238 5.955 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.591 -8.240 6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.271 -9.592 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.980 -10.602 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.882 -10.494 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.323 -7.443 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.510 -8.223 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.011 -6.878 4.691 1.00 0.00 H new ATOM 850 N PRO A 55 -3.993 -8.640 7.834 1.00 0.00 N ATOM 851 CA PRO A 55 -4.829 -7.946 8.798 1.00 0.00 C ATOM 852 C PRO A 55 -4.370 -6.498 8.982 1.00 0.00 C ATOM 853 O PRO A 55 -3.174 -6.212 8.934 1.00 0.00 O ATOM 854 CB PRO A 55 -4.725 -8.768 10.073 1.00 0.00 C ATOM 855 CG PRO A 55 -3.478 -9.623 9.916 1.00 0.00 C ATOM 856 CD PRO A 55 -3.059 -9.574 8.456 1.00 0.00 C ATOM 0 HA PRO A 55 -5.867 -7.867 8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.649 -8.123 10.948 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.610 -9.389 10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.677 -9.251 10.555 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.679 -10.650 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.029 -9.233 8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.118 -10.559 7.994 1.00 0.00 H new ATOM 864 N CYS A 56 -5.343 -5.624 9.187 1.00 0.00 N ATOM 865 CA CYS A 56 -5.054 -4.213 9.378 1.00 0.00 C ATOM 866 C CYS A 56 -4.685 -3.992 10.846 1.00 0.00 C ATOM 867 O CYS A 56 -4.406 -2.867 11.258 1.00 0.00 O ATOM 868 CB CYS A 56 -6.227 -3.331 8.945 1.00 0.00 C ATOM 869 SG CYS A 56 -7.718 -3.751 9.919 1.00 0.00 S ATOM 0 H CYS A 56 -6.333 -5.865 9.225 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.215 -3.923 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.974 -2.280 9.086 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.425 -3.471 7.882 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.503 -4.505 9.208 1.00 0.00 H new ATOM 875 N ASN A 57 -4.696 -5.084 11.596 1.00 0.00 N ATOM 876 CA ASN A 57 -4.366 -5.024 13.010 1.00 0.00 C ATOM 877 C ASN A 57 -2.865 -4.776 13.169 1.00 0.00 C ATOM 878 O ASN A 57 -2.431 -4.177 14.153 1.00 0.00 O ATOM 879 CB ASN A 57 -4.704 -6.341 13.711 1.00 0.00 C ATOM 880 CG ASN A 57 -5.688 -6.114 14.861 1.00 0.00 C ATOM 881 OD1 ASN A 57 -5.389 -5.464 15.849 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.876 -6.683 14.677 1.00 0.00 N ATOM 0 H ASN A 57 -4.928 -6.015 11.251 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.947 -4.218 13.458 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.133 -7.039 12.993 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.791 -6.798 14.094 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.602 -6.588 15.387 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.061 -7.214 13.826 1.00 0.00 H new ATOM 889 N ILE A 58 -2.112 -5.248 12.187 1.00 0.00 N ATOM 890 CA ILE A 58 -0.668 -5.085 12.205 1.00 0.00 C ATOM 891 C ILE A 58 -0.285 -3.876 11.350 1.00 0.00 C ATOM 892 O ILE A 58 0.792 -3.306 11.521 1.00 0.00 O ATOM 893 CB ILE A 58 0.023 -6.382 11.780 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.239 -6.686 10.304 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.388 -7.545 12.686 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.246 -8.090 9.938 1.00 0.00 C ATOM 0 H ILE A 58 -2.475 -5.744 11.373 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.320 -4.883 13.218 1.00 0.00 H new ATOM 0 HB ILE A 58 1.099 -6.248 11.895 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.305 -6.600 10.095 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.268 -5.949 9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.117 -8.455 12.362 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.108 -7.321 13.715 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.467 -7.689 12.627 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.047 -8.280 8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.317 -8.165 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.281 -8.827 10.545 1.00 0.00 H new ATOM 908 N LEU A 59 -1.187 -3.520 10.447 1.00 0.00 N ATOM 909 CA LEU A 59 -0.957 -2.388 9.565 1.00 0.00 C ATOM 910 C LEU A 59 -0.904 -1.103 10.394 1.00 0.00 C ATOM 911 O LEU A 59 -1.325 -1.088 11.550 1.00 0.00 O ATOM 912 CB LEU A 59 -2.003 -2.358 8.449 1.00 0.00 C ATOM 913 CG LEU A 59 -1.981 -3.538 7.476 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.069 -3.391 6.410 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.592 -3.712 6.858 1.00 0.00 C ATOM 0 H LEU A 59 -2.078 -3.995 10.307 1.00 0.00 H new ATOM 0 HA LEU A 59 0.007 -2.484 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.991 -2.308 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.869 -1.439 7.878 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.201 -4.447 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.031 -4.243 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.047 -3.353 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.905 -2.472 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.603 -4.557 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.319 -2.807 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.137 -3.896 7.647 1.00 0.00 H new ATOM 927 N GLY A 60 -0.383 -0.056 9.771 1.00 0.00 N ATOM 928 CA GLY A 60 -0.270 1.230 10.437 1.00 0.00 C ATOM 929 C GLY A 60 0.152 2.322 9.451 1.00 0.00 C ATOM 930 O GLY A 60 0.852 2.048 8.478 1.00 0.00 O ATOM 0 H GLY A 60 -0.035 -0.072 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.225 1.494 10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.459 1.163 11.245 1.00 0.00 H new