USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 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+ -150:sc= 0.205 (180deg=0.0152) 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 44:sc= 0.00887 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=-0.00038) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 92:sc= -0.276 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0074 X(o=-0.0074,f=-0.49) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.210 5.511 -1.803 1.00 0.00 N ATOM 67 CA LYS A 8 0.310 5.426 -0.356 1.00 0.00 C ATOM 68 C LYS A 8 1.074 4.156 0.025 1.00 0.00 C ATOM 69 O LYS A 8 1.208 3.241 -0.786 1.00 0.00 O ATOM 70 CB LYS A 8 -1.076 5.524 0.284 1.00 0.00 C ATOM 71 CG LYS A 8 -1.039 6.391 1.544 1.00 0.00 C ATOM 72 CD LYS A 8 -1.105 5.528 2.806 1.00 0.00 C ATOM 73 CE LYS A 8 -1.703 6.312 3.975 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.050 5.797 4.310 1.00 0.00 N ATOM 0 HA LYS A 8 0.877 6.270 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.782 5.946 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.436 4.526 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.126 6.986 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.875 7.090 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.707 4.640 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.105 5.184 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.051 6.234 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.765 7.369 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.441 6.340 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.674 5.894 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.982 4.794 4.576 1.00 0.00 H new ATOM 88 N TYR A 9 1.556 4.142 1.259 1.00 0.00 N ATOM 89 CA TYR A 9 2.303 2.999 1.757 1.00 0.00 C ATOM 90 C TYR A 9 1.897 2.662 3.193 1.00 0.00 C ATOM 91 O TYR A 9 1.362 3.510 3.906 1.00 0.00 O ATOM 92 CB TYR A 9 3.775 3.419 1.742 1.00 0.00 C ATOM 93 CG TYR A 9 4.360 3.581 0.338 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.388 2.506 -0.527 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.861 4.803 -0.064 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.939 2.659 -1.849 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.413 4.955 -1.385 1.00 0.00 C ATOM 98 CZ TYR A 9 5.424 3.876 -2.213 1.00 0.00 C ATOM 99 OH TYR A 9 5.945 4.020 -3.461 1.00 0.00 O ATOM 0 H TYR A 9 1.444 4.903 1.929 1.00 0.00 H new ATOM 0 HA TYR A 9 2.112 2.119 1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.879 4.362 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.360 2.677 2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.997 1.550 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.839 5.645 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.966 1.826 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.810 5.905 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 9 6.252 4.943 -3.583 1.00 0.00 H new ATOM 109 N VAL A 10 2.166 1.422 3.575 1.00 0.00 N ATOM 110 CA VAL A 10 1.835 0.962 4.913 1.00 0.00 C ATOM 111 C VAL A 10 3.093 0.404 5.582 1.00 0.00 C ATOM 112 O VAL A 10 3.910 -0.245 4.931 1.00 0.00 O ATOM 113 CB VAL A 10 0.692 -0.052 4.850 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.155 -1.361 4.206 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.103 -0.303 6.240 1.00 0.00 C ATOM 0 H VAL A 10 2.610 0.721 2.981 1.00 0.00 H new ATOM 0 HA VAL A 10 1.482 1.792 5.525 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.095 0.369 4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.323 -2.065 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.504 -1.164 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.968 -1.788 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.708 -1.028 6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.879 -0.692 6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.282 0.632 6.646 1.00 0.00 H new ATOM 125 N LYS A 11 3.209 0.678 6.873 1.00 0.00 N ATOM 126 CA LYS A 11 4.354 0.212 7.636 1.00 0.00 C ATOM 127 C LYS A 11 3.915 -0.923 8.564 1.00 0.00 C ATOM 128 O LYS A 11 3.027 -0.742 9.395 1.00 0.00 O ATOM 129 CB LYS A 11 5.022 1.378 8.367 1.00 0.00 C ATOM 130 CG LYS A 11 5.911 0.875 9.506 1.00 0.00 C ATOM 131 CD LYS A 11 7.175 1.727 9.633 1.00 0.00 C ATOM 132 CE LYS A 11 8.200 1.054 10.548 1.00 0.00 C ATOM 133 NZ LYS A 11 8.900 2.064 11.374 1.00 0.00 N ATOM 0 H LYS A 11 2.529 1.217 7.410 1.00 0.00 H new ATOM 0 HA LYS A 11 5.115 -0.195 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.620 1.958 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.259 2.047 8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.356 0.900 10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.185 -0.164 9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.611 1.886 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.918 2.709 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.701 0.331 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.923 0.501 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.863 1.733 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.949 2.964 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.380 2.205 12.264 1.00 0.00 H new ATOM 147 N ILE A 12 4.557 -2.069 8.389 1.00 0.00 N ATOM 148 CA ILE A 12 4.243 -3.234 9.200 1.00 0.00 C ATOM 149 C ILE A 12 4.650 -2.965 10.650 1.00 0.00 C ATOM 150 O ILE A 12 5.818 -2.703 10.932 1.00 0.00 O ATOM 151 CB ILE A 12 4.884 -4.489 8.604 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.601 -4.590 7.104 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.436 -5.743 9.358 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.100 -4.506 6.822 1.00 0.00 C ATOM 0 H ILE A 12 5.293 -2.216 7.698 1.00 0.00 H new ATOM 0 HA ILE A 12 3.169 -3.421 9.199 1.00 0.00 H new ATOM 0 HB ILE A 12 5.965 -4.410 8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.119 -3.788 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.995 -5.530 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.906 -6.621 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.731 -5.663 10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.352 -5.839 9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.927 -4.580 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.588 -5.324 7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.714 -3.554 7.187 1.00 0.00 H new ATOM 166 N LEU A 13 3.663 -3.038 11.531 1.00 0.00 N ATOM 167 CA LEU A 13 3.904 -2.805 12.945 1.00 0.00 C ATOM 168 C LEU A 13 4.398 -4.100 13.594 1.00 0.00 C ATOM 169 O LEU A 13 5.089 -4.065 14.610 1.00 0.00 O ATOM 170 CB LEU A 13 2.657 -2.220 13.612 1.00 0.00 C ATOM 171 CG LEU A 13 2.187 -0.864 13.082 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.890 -0.428 13.765 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.288 0.189 13.217 1.00 0.00 C ATOM 0 H LEU A 13 2.695 -3.255 11.293 1.00 0.00 H new ATOM 0 HA LEU A 13 4.689 -2.061 13.080 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.841 -2.934 13.501 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.852 -2.123 14.680 1.00 0.00 H new ATOM 0 HG LEU A 13 1.971 -0.969 12.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.578 0.539 13.370 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.112 -1.167 13.573 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.055 -0.345 14.839 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.928 1.143 12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.559 0.299 14.267 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.163 -0.124 12.647 1.00 0.00 H new ATOM 185 N TYR A 14 4.023 -5.212 12.979 1.00 0.00 N ATOM 186 CA TYR A 14 4.420 -6.516 13.483 1.00 0.00 C ATOM 187 C TYR A 14 4.703 -7.486 12.334 1.00 0.00 C ATOM 188 O TYR A 14 4.036 -7.443 11.302 1.00 0.00 O ATOM 189 CB TYR A 14 3.229 -7.036 14.291 1.00 0.00 C ATOM 190 CG TYR A 14 2.892 -6.187 15.519 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.754 -6.160 16.596 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.726 -5.449 15.549 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.437 -5.361 17.752 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.409 -4.650 16.705 1.00 0.00 C ATOM 195 CZ TYR A 14 2.280 -4.646 17.749 1.00 0.00 C ATOM 196 OH TYR A 14 1.981 -3.892 18.840 1.00 0.00 O ATOM 0 H TYR A 14 3.449 -5.237 12.136 1.00 0.00 H new ATOM 0 HA TYR A 14 5.328 -6.436 14.080 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.354 -7.081 13.642 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.439 -8.056 14.614 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.666 -6.738 16.572 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.051 -5.471 14.706 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.103 -5.330 18.602 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.500 -4.068 16.742 1.00 0.00 H new ATOM 0 HH TYR A 14 1.126 -3.435 18.697 1.00 0.00 H new ATOM 206 N ASP A 15 5.694 -8.338 12.552 1.00 0.00 N ATOM 207 CA ASP A 15 6.075 -9.316 11.548 1.00 0.00 C ATOM 208 C ASP A 15 4.946 -10.336 11.382 1.00 0.00 C ATOM 209 O ASP A 15 4.443 -10.876 12.367 1.00 0.00 O ATOM 210 CB ASP A 15 7.337 -10.073 11.966 1.00 0.00 C ATOM 211 CG ASP A 15 7.373 -10.511 13.431 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.275 -10.625 14.017 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.498 -10.722 13.933 1.00 0.00 O ATOM 0 H ASP A 15 6.245 -8.371 13.410 1.00 0.00 H new ATOM 0 HA ASP A 15 6.266 -8.785 10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.438 -10.957 11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.203 -9.441 11.770 1.00 0.00 H new ATOM 218 N PHE A 16 4.580 -10.568 10.130 1.00 0.00 N ATOM 219 CA PHE A 16 3.520 -11.513 9.823 1.00 0.00 C ATOM 220 C PHE A 16 3.987 -12.546 8.796 1.00 0.00 C ATOM 221 O PHE A 16 4.743 -12.220 7.882 1.00 0.00 O ATOM 222 CB PHE A 16 2.362 -10.709 9.230 1.00 0.00 C ATOM 223 CG PHE A 16 1.108 -11.539 8.948 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.250 -11.840 9.960 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.851 -11.976 7.686 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.914 -12.610 9.698 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.313 -12.746 7.425 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.171 -13.047 8.436 1.00 0.00 C ATOM 0 H PHE A 16 4.999 -10.118 9.316 1.00 0.00 H new ATOM 0 HA PHE A 16 3.224 -12.047 10.726 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.104 -9.902 9.916 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.694 -10.244 8.302 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.454 -11.493 10.962 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.532 -11.737 6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.595 -12.849 10.501 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.517 -13.093 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.056 -13.633 8.237 1.00 0.00 H new ATOM 238 N THR A 17 3.518 -13.772 8.981 1.00 0.00 N ATOM 239 CA THR A 17 3.878 -14.855 8.081 1.00 0.00 C ATOM 240 C THR A 17 2.629 -15.423 7.404 1.00 0.00 C ATOM 241 O THR A 17 1.796 -16.051 8.056 1.00 0.00 O ATOM 242 CB THR A 17 4.661 -15.895 8.884 1.00 0.00 C ATOM 243 OG1 THR A 17 5.890 -15.243 9.193 1.00 0.00 O ATOM 244 CG2 THR A 17 5.080 -17.097 8.034 1.00 0.00 C ATOM 0 H THR A 17 2.892 -14.039 9.741 1.00 0.00 H new ATOM 0 HA THR A 17 4.516 -14.502 7.271 1.00 0.00 H new ATOM 0 HB THR A 17 4.055 -16.237 9.723 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.458 -15.847 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.632 -17.805 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.192 -17.584 7.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.714 -16.760 7.214 1.00 0.00 H new ATOM 252 N ALA A 18 2.539 -15.182 6.104 1.00 0.00 N ATOM 253 CA ALA A 18 1.405 -15.662 5.332 1.00 0.00 C ATOM 254 C ALA A 18 1.042 -17.076 5.791 1.00 0.00 C ATOM 255 O ALA A 18 1.827 -18.008 5.622 1.00 0.00 O ATOM 256 CB ALA A 18 1.742 -15.602 3.840 1.00 0.00 C ATOM 0 H ALA A 18 3.232 -14.661 5.566 1.00 0.00 H new ATOM 0 HA ALA A 18 0.533 -15.029 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.892 -15.962 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.964 -14.573 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.611 -16.229 3.638 1.00 0.00 H new ATOM 324 N GLU A 23 -2.367 -14.649 1.214 1.00 0.00 N ATOM 325 CA GLU A 23 -1.770 -13.784 2.218 1.00 0.00 C ATOM 326 C GLU A 23 -0.329 -13.442 1.836 1.00 0.00 C ATOM 327 O GLU A 23 0.282 -14.133 1.022 1.00 0.00 O ATOM 328 CB GLU A 23 -1.831 -14.431 3.604 1.00 0.00 C ATOM 329 CG GLU A 23 -3.275 -14.751 3.997 1.00 0.00 C ATOM 330 CD GLU A 23 -3.407 -14.911 5.513 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.263 -13.881 6.207 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.650 -16.059 5.943 1.00 0.00 O ATOM 0 HA GLU A 23 -2.343 -12.858 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.238 -15.346 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.390 -13.761 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.935 -13.954 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.596 -15.667 3.501 1.00 0.00 H new ATOM 339 N LEU A 24 0.172 -12.375 2.440 1.00 0.00 N ATOM 340 CA LEU A 24 1.530 -11.932 2.173 1.00 0.00 C ATOM 341 C LEU A 24 2.366 -12.067 3.448 1.00 0.00 C ATOM 342 O LEU A 24 1.835 -11.984 4.554 1.00 0.00 O ATOM 343 CB LEU A 24 1.527 -10.519 1.587 1.00 0.00 C ATOM 344 CG LEU A 24 2.805 -10.090 0.864 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.679 -10.302 -0.646 1.00 0.00 C ATOM 346 CD2 LEU A 24 3.173 -8.646 1.211 1.00 0.00 C ATOM 0 H LEU A 24 -0.338 -11.804 3.114 1.00 0.00 H new ATOM 0 HA LEU A 24 1.995 -12.565 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.694 -10.438 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.336 -9.813 2.395 1.00 0.00 H new ATOM 0 HG LEU A 24 3.622 -10.723 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.601 -9.989 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.499 -11.357 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.847 -9.711 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.085 -8.366 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.362 -7.982 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.334 -8.560 2.286 1.00 0.00 H new ATOM 358 N SER A 25 3.660 -12.272 3.249 1.00 0.00 N ATOM 359 CA SER A 25 4.574 -12.419 4.369 1.00 0.00 C ATOM 360 C SER A 25 5.466 -11.182 4.482 1.00 0.00 C ATOM 361 O SER A 25 6.231 -10.877 3.568 1.00 0.00 O ATOM 362 CB SER A 25 5.430 -13.678 4.219 1.00 0.00 C ATOM 363 OG SER A 25 5.902 -13.848 2.885 1.00 0.00 O ATOM 0 H SER A 25 4.097 -12.340 2.330 1.00 0.00 H new ATOM 0 HA SER A 25 3.985 -12.519 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.280 -13.622 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.845 -14.551 4.510 1.00 0.00 H new ATOM 0 HG SER A 25 6.219 -12.988 2.538 1.00 0.00 H new ATOM 369 N VAL A 26 5.339 -10.501 5.612 1.00 0.00 N ATOM 370 CA VAL A 26 6.124 -9.303 5.857 1.00 0.00 C ATOM 371 C VAL A 26 6.718 -9.367 7.265 1.00 0.00 C ATOM 372 O VAL A 26 6.317 -10.202 8.075 1.00 0.00 O ATOM 373 CB VAL A 26 5.265 -8.058 5.626 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.947 -7.879 4.140 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.983 -8.115 6.459 1.00 0.00 C ATOM 0 H VAL A 26 4.704 -10.756 6.368 1.00 0.00 H new ATOM 0 HA VAL A 26 6.956 -9.242 5.156 1.00 0.00 H new ATOM 0 HB VAL A 26 5.838 -7.190 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.335 -6.987 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.876 -7.771 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.403 -8.751 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.390 -7.219 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.405 -8.995 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.239 -8.172 7.517 1.00 0.00 H new ATOM 385 N LEU A 27 7.665 -8.474 7.515 1.00 0.00 N ATOM 386 CA LEU A 27 8.318 -8.419 8.811 1.00 0.00 C ATOM 387 C LEU A 27 8.033 -7.064 9.463 1.00 0.00 C ATOM 388 O LEU A 27 7.357 -6.219 8.878 1.00 0.00 O ATOM 389 CB LEU A 27 9.809 -8.733 8.673 1.00 0.00 C ATOM 390 CG LEU A 27 10.171 -10.212 8.519 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.583 -10.375 7.953 1.00 0.00 C ATOM 392 CD2 LEU A 27 9.994 -10.961 9.842 1.00 0.00 C ATOM 0 H LEU A 27 7.995 -7.783 6.841 1.00 0.00 H new ATOM 0 HA LEU A 27 7.914 -9.184 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.195 -8.193 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.325 -8.342 9.550 1.00 0.00 H new ATOM 0 HG LEU A 27 9.483 -10.659 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.815 -11.435 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.640 -9.898 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.301 -9.908 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.258 -12.010 9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.642 -10.520 10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.956 -10.888 10.166 1.00 0.00 H new ATOM 404 N LYS A 28 8.564 -6.899 10.666 1.00 0.00 N ATOM 405 CA LYS A 28 8.375 -5.662 11.404 1.00 0.00 C ATOM 406 C LYS A 28 9.352 -4.607 10.881 1.00 0.00 C ATOM 407 O LYS A 28 10.501 -4.919 10.574 1.00 0.00 O ATOM 408 CB LYS A 28 8.488 -5.913 12.909 1.00 0.00 C ATOM 409 CG LYS A 28 8.399 -4.602 13.692 1.00 0.00 C ATOM 410 CD LYS A 28 9.075 -4.732 15.059 1.00 0.00 C ATOM 411 CE LYS A 28 8.153 -4.237 16.175 1.00 0.00 C ATOM 412 NZ LYS A 28 8.046 -5.252 17.247 1.00 0.00 N ATOM 0 H LYS A 28 9.125 -7.602 11.148 1.00 0.00 H new ATOM 0 HA LYS A 28 7.369 -5.273 11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.693 -6.587 13.230 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.434 -6.408 13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.872 -3.802 13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.353 -4.324 13.824 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.343 -5.773 15.239 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.002 -4.158 15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.539 -3.304 16.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.164 -4.022 15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.417 -4.900 17.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.657 -6.133 16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.989 -5.437 17.645 1.00 0.00 H new ATOM 426 N ASP A 29 8.859 -3.380 10.797 1.00 0.00 N ATOM 427 CA ASP A 29 9.674 -2.278 10.316 1.00 0.00 C ATOM 428 C ASP A 29 9.783 -2.356 8.792 1.00 0.00 C ATOM 429 O ASP A 29 10.772 -1.910 8.213 1.00 0.00 O ATOM 430 CB ASP A 29 11.089 -2.346 10.895 1.00 0.00 C ATOM 431 CG ASP A 29 11.806 -0.999 11.009 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.090 0.016 11.143 1.00 0.00 O ATOM 433 OD2 ASP A 29 13.055 -1.016 10.959 1.00 0.00 O ATOM 0 H ASP A 29 7.905 -3.125 11.054 1.00 0.00 H new ATOM 0 HA ASP A 29 9.200 -1.347 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.039 -2.799 11.885 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.689 -3.009 10.271 1.00 0.00 H new ATOM 438 N GLU A 30 8.751 -2.925 8.186 1.00 0.00 N ATOM 439 CA GLU A 30 8.718 -3.067 6.740 1.00 0.00 C ATOM 440 C GLU A 30 7.671 -2.127 6.138 1.00 0.00 C ATOM 441 O GLU A 30 6.789 -1.642 6.844 1.00 0.00 O ATOM 442 CB GLU A 30 8.448 -4.518 6.338 1.00 0.00 C ATOM 443 CG GLU A 30 9.757 -5.279 6.120 1.00 0.00 C ATOM 444 CD GLU A 30 9.515 -6.576 5.344 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.446 -6.663 4.704 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.406 -7.451 5.410 1.00 0.00 O ATOM 0 H GLU A 30 7.932 -3.293 8.670 1.00 0.00 H new ATOM 0 HA GLU A 30 9.696 -2.791 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.861 -5.011 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.853 -4.542 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.461 -4.650 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.214 -5.507 7.083 1.00 0.00 H new ATOM 453 N VAL A 31 7.804 -1.899 4.840 1.00 0.00 N ATOM 454 CA VAL A 31 6.881 -1.026 4.135 1.00 0.00 C ATOM 455 C VAL A 31 6.448 -1.696 2.829 1.00 0.00 C ATOM 456 O VAL A 31 7.288 -2.091 2.022 1.00 0.00 O ATOM 457 CB VAL A 31 7.520 0.347 3.919 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.655 1.217 3.005 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.782 1.046 5.255 1.00 0.00 C ATOM 0 H VAL A 31 8.537 -2.304 4.258 1.00 0.00 H new ATOM 0 HA VAL A 31 5.982 -0.861 4.729 1.00 0.00 H new ATOM 0 HB VAL A 31 8.480 0.196 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.132 2.187 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.542 0.728 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.673 1.356 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.237 2.020 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.840 1.179 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.456 0.438 5.858 1.00 0.00 H new ATOM 469 N LEU A 32 5.138 -1.804 2.662 1.00 0.00 N ATOM 470 CA LEU A 32 4.584 -2.419 1.469 1.00 0.00 C ATOM 471 C LEU A 32 3.797 -1.372 0.678 1.00 0.00 C ATOM 472 O LEU A 32 3.689 -0.222 1.101 1.00 0.00 O ATOM 473 CB LEU A 32 3.763 -3.657 1.836 1.00 0.00 C ATOM 474 CG LEU A 32 4.523 -4.781 2.544 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.764 -5.189 1.747 1.00 0.00 C ATOM 476 CD2 LEU A 32 4.868 -4.388 3.981 1.00 0.00 C ATOM 0 H LEU A 32 4.444 -1.476 3.334 1.00 0.00 H new ATOM 0 HA LEU A 32 5.383 -2.776 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.938 -3.345 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.324 -4.061 0.924 1.00 0.00 H new ATOM 0 HG LEU A 32 3.873 -5.654 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.286 -5.989 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.463 -5.538 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.427 -4.331 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.408 -5.204 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.492 -3.495 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.950 -4.185 4.533 1.00 0.00 H new ATOM 488 N GLU A 33 3.267 -1.807 -0.455 1.00 0.00 N ATOM 489 CA GLU A 33 2.493 -0.921 -1.308 1.00 0.00 C ATOM 490 C GLU A 33 1.013 -1.304 -1.267 1.00 0.00 C ATOM 491 O GLU A 33 0.601 -2.275 -1.901 1.00 0.00 O ATOM 492 CB GLU A 33 3.025 -0.940 -2.743 1.00 0.00 C ATOM 493 CG GLU A 33 2.120 -0.129 -3.673 1.00 0.00 C ATOM 494 CD GLU A 33 2.945 0.793 -4.574 1.00 0.00 C ATOM 495 OE1 GLU A 33 4.023 0.339 -5.016 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.479 1.930 -4.801 1.00 0.00 O ATOM 0 H GLU A 33 3.358 -2.762 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 33 2.595 0.096 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.035 -0.532 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.089 -1.969 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.524 -0.805 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.422 0.464 -3.081 1.00 0.00 H new ATOM 503 N VAL A 34 0.253 -0.522 -0.515 1.00 0.00 N ATOM 504 CA VAL A 34 -1.173 -0.767 -0.382 1.00 0.00 C ATOM 505 C VAL A 34 -1.871 -0.414 -1.697 1.00 0.00 C ATOM 506 O VAL A 34 -1.729 0.699 -2.200 1.00 0.00 O ATOM 507 CB VAL A 34 -1.728 0.007 0.815 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.639 1.517 0.581 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.166 -0.416 1.123 1.00 0.00 C ATOM 0 H VAL A 34 0.598 0.282 0.009 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.362 -1.822 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.115 -0.234 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.040 2.044 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.597 1.802 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.216 1.783 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.536 0.149 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.797 -0.218 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.190 -1.481 1.354 1.00 0.00 H new ATOM 519 N LEU A 35 -2.610 -1.384 -2.217 1.00 0.00 N ATOM 520 CA LEU A 35 -3.330 -1.190 -3.464 1.00 0.00 C ATOM 521 C LEU A 35 -4.828 -1.085 -3.171 1.00 0.00 C ATOM 522 O LEU A 35 -5.516 -0.235 -3.735 1.00 0.00 O ATOM 523 CB LEU A 35 -2.974 -2.291 -4.465 1.00 0.00 C ATOM 524 CG LEU A 35 -1.683 -3.061 -4.184 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.586 -4.309 -5.065 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.460 -2.155 -4.337 1.00 0.00 C ATOM 0 H LEU A 35 -2.725 -2.306 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.031 -0.254 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.798 -3.003 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.898 -1.843 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.705 -3.399 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.659 -4.838 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.434 -4.963 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.596 -4.015 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.445 -2.727 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.420 -1.766 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.532 -1.325 -3.634 1.00 0.00 H new ATOM 538 N GLU A 36 -5.289 -1.960 -2.290 1.00 0.00 N ATOM 539 CA GLU A 36 -6.693 -1.976 -1.916 1.00 0.00 C ATOM 540 C GLU A 36 -6.847 -1.689 -0.421 1.00 0.00 C ATOM 541 O GLU A 36 -6.221 -2.346 0.409 1.00 0.00 O ATOM 542 CB GLU A 36 -7.344 -3.309 -2.288 1.00 0.00 C ATOM 543 CG GLU A 36 -8.259 -3.152 -3.504 1.00 0.00 C ATOM 544 CD GLU A 36 -9.532 -3.986 -3.344 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.423 -5.081 -2.752 1.00 0.00 O ATOM 546 OE2 GLU A 36 -10.586 -3.509 -3.818 1.00 0.00 O ATOM 0 H GLU A 36 -4.715 -2.663 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.206 -1.191 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.572 -4.048 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.919 -3.686 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.522 -2.102 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.729 -3.461 -4.405 1.00 0.00 H new ATOM 553 N ASP A 37 -7.685 -0.706 -0.123 1.00 0.00 N ATOM 554 CA ASP A 37 -7.930 -0.324 1.257 1.00 0.00 C ATOM 555 C ASP A 37 -9.425 -0.070 1.454 1.00 0.00 C ATOM 556 O ASP A 37 -10.196 -0.107 0.496 1.00 0.00 O ATOM 557 CB ASP A 37 -7.181 0.962 1.613 1.00 0.00 C ATOM 558 CG ASP A 37 -7.813 2.248 1.078 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.373 2.183 -0.038 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.722 3.267 1.796 1.00 0.00 O ATOM 0 H ASP A 37 -8.203 -0.163 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.582 -1.134 1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.110 1.034 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.163 0.889 1.231 1.00 0.00 H new ATOM 565 N GLY A 38 -9.791 0.182 2.702 1.00 0.00 N ATOM 566 CA GLY A 38 -11.181 0.442 3.037 1.00 0.00 C ATOM 567 C GLY A 38 -11.878 -0.834 3.515 1.00 0.00 C ATOM 568 O GLY A 38 -12.983 -0.778 4.051 1.00 0.00 O ATOM 0 H GLY A 38 -9.149 0.212 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.235 1.203 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.701 0.840 2.165 1.00 0.00 H new ATOM 572 N ARG A 39 -11.202 -1.954 3.302 1.00 0.00 N ATOM 573 CA ARG A 39 -11.743 -3.241 3.704 1.00 0.00 C ATOM 574 C ARG A 39 -10.967 -3.792 4.902 1.00 0.00 C ATOM 575 O ARG A 39 -9.852 -3.352 5.179 1.00 0.00 O ATOM 576 CB ARG A 39 -11.677 -4.249 2.555 1.00 0.00 C ATOM 577 CG ARG A 39 -12.884 -5.189 2.581 1.00 0.00 C ATOM 578 CD ARG A 39 -13.880 -4.833 1.476 1.00 0.00 C ATOM 579 NE ARG A 39 -15.258 -4.836 2.017 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.910 -5.940 2.405 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.314 -7.137 2.314 1.00 0.00 N ATOM 582 NH2 ARG A 39 -17.158 -5.848 2.883 1.00 0.00 N ATOM 0 H ARG A 39 -10.285 -1.996 2.857 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.786 -3.090 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.644 -3.719 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.757 -4.830 2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.550 -6.219 2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.376 -5.129 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.644 -3.852 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.800 -5.549 0.658 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.741 -3.942 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.364 -7.207 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.810 -7.978 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.612 -4.937 2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.654 -6.689 3.178 1.00 0.00 H new ATOM 596 N GLN A 40 -11.587 -4.746 5.581 1.00 0.00 N ATOM 597 CA GLN A 40 -10.969 -5.361 6.743 1.00 0.00 C ATOM 598 C GLN A 40 -9.493 -5.655 6.465 1.00 0.00 C ATOM 599 O GLN A 40 -8.611 -5.064 7.087 1.00 0.00 O ATOM 600 CB GLN A 40 -11.713 -6.633 7.151 1.00 0.00 C ATOM 601 CG GLN A 40 -11.343 -7.052 8.575 1.00 0.00 C ATOM 602 CD GLN A 40 -12.523 -7.733 9.271 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.198 -8.584 8.716 1.00 0.00 O ATOM 604 NE2 GLN A 40 -12.733 -7.313 10.515 1.00 0.00 N ATOM 0 H GLN A 40 -12.512 -5.108 5.348 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.030 -4.661 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.788 -6.467 7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.472 -7.438 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.491 -7.731 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.035 -6.177 9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.130 -6.597 10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.497 -7.707 11.064 1.00 0.00 H new ATOM 613 N TRP A 41 -9.270 -6.567 5.531 1.00 0.00 N ATOM 614 CA TRP A 41 -7.916 -6.946 5.163 1.00 0.00 C ATOM 615 C TRP A 41 -7.517 -6.137 3.927 1.00 0.00 C ATOM 616 O TRP A 41 -8.289 -6.030 2.975 1.00 0.00 O ATOM 617 CB TRP A 41 -7.809 -8.457 4.948 1.00 0.00 C ATOM 618 CG TRP A 41 -8.014 -9.282 6.220 1.00 0.00 C ATOM 619 CD1 TRP A 41 -9.081 -9.300 7.030 1.00 0.00 C ATOM 620 CD2 TRP A 41 -7.077 -10.216 6.799 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.903 -10.172 8.084 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.646 -10.747 7.939 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.793 -10.598 6.374 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -7.002 -11.691 8.748 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.163 -11.543 7.193 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.721 -12.087 8.344 1.00 0.00 C ATOM 0 H TRP A 41 -10.004 -7.055 5.018 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.219 -6.716 5.969 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.548 -8.761 4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.828 -8.686 4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.970 -8.706 6.877 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.571 -10.360 8.832 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.329 -10.195 5.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.468 -12.092 9.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.174 -11.872 6.911 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.169 -12.812 8.924 1.00 0.00 H new ATOM 637 N TRP A 42 -6.313 -5.587 3.982 1.00 0.00 N ATOM 638 CA TRP A 42 -5.802 -4.791 2.879 1.00 0.00 C ATOM 639 C TRP A 42 -4.967 -5.707 1.982 1.00 0.00 C ATOM 640 O TRP A 42 -4.590 -6.805 2.389 1.00 0.00 O ATOM 641 CB TRP A 42 -5.020 -3.581 3.393 1.00 0.00 C ATOM 642 CG TRP A 42 -5.819 -2.677 4.334 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.106 -2.789 4.690 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.328 -1.511 5.028 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.479 -1.784 5.560 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.363 -0.983 5.772 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.051 -0.922 5.029 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.229 0.159 6.571 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.933 0.218 5.832 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.966 0.763 6.586 1.00 0.00 C ATOM 0 H TRP A 42 -5.676 -5.677 4.774 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.620 -4.379 2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.129 -3.932 3.913 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.681 -2.992 2.541 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.768 -3.567 4.340 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.403 -1.653 5.971 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.226 -1.318 4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.055 0.553 7.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.972 0.709 5.869 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.795 1.648 7.181 1.00 0.00 H new ATOM 661 N LYS A 43 -4.701 -5.221 0.779 1.00 0.00 N ATOM 662 CA LYS A 43 -3.917 -5.981 -0.179 1.00 0.00 C ATOM 663 C LYS A 43 -2.619 -5.229 -0.482 1.00 0.00 C ATOM 664 O LYS A 43 -2.613 -4.290 -1.276 1.00 0.00 O ATOM 665 CB LYS A 43 -4.749 -6.296 -1.423 1.00 0.00 C ATOM 666 CG LYS A 43 -4.089 -7.392 -2.262 1.00 0.00 C ATOM 667 CD LYS A 43 -4.738 -7.492 -3.644 1.00 0.00 C ATOM 668 CE LYS A 43 -3.995 -8.495 -4.528 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.937 -9.487 -5.093 1.00 0.00 N ATOM 0 H LYS A 43 -5.015 -4.310 0.446 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.636 -6.947 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.748 -6.613 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.867 -5.394 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.025 -7.181 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.173 -8.349 -1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.779 -7.796 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.738 -6.512 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.485 -7.969 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.228 -9.004 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.416 -10.160 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.405 -10.001 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.653 -8.998 -5.667 1.00 0.00 H new ATOM 683 N LEU A 44 -1.552 -5.669 0.169 1.00 0.00 N ATOM 684 CA LEU A 44 -0.252 -5.049 -0.021 1.00 0.00 C ATOM 685 C LEU A 44 0.528 -5.825 -1.084 1.00 0.00 C ATOM 686 O LEU A 44 0.142 -6.931 -1.459 1.00 0.00 O ATOM 687 CB LEU A 44 0.484 -4.928 1.315 1.00 0.00 C ATOM 688 CG LEU A 44 -0.334 -4.373 2.483 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.989 -3.042 2.110 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.359 -5.399 2.971 1.00 0.00 C ATOM 0 H LEU A 44 -1.561 -6.447 0.828 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.366 -4.030 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.855 -5.914 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.355 -4.289 1.171 1.00 0.00 H new ATOM 0 HG LEU A 44 0.345 -4.176 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.564 -2.669 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.218 -2.318 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.652 -3.189 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.927 -4.979 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.039 -5.650 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.843 -6.300 3.303 1.00 0.00 H new ATOM 702 N ARG A 45 1.612 -5.214 -1.540 1.00 0.00 N ATOM 703 CA ARG A 45 2.450 -5.834 -2.553 1.00 0.00 C ATOM 704 C ARG A 45 3.922 -5.498 -2.302 1.00 0.00 C ATOM 705 O ARG A 45 4.323 -4.340 -2.398 1.00 0.00 O ATOM 706 CB ARG A 45 2.058 -5.363 -3.955 1.00 0.00 C ATOM 707 CG ARG A 45 2.980 -5.971 -5.015 1.00 0.00 C ATOM 708 CD ARG A 45 2.791 -5.280 -6.367 1.00 0.00 C ATOM 709 NE ARG A 45 3.279 -3.884 -6.295 1.00 0.00 N ATOM 710 CZ ARG A 45 4.575 -3.543 -6.264 1.00 0.00 C ATOM 711 NH1 ARG A 45 5.519 -4.493 -6.298 1.00 0.00 N ATOM 712 NH2 ARG A 45 4.925 -2.251 -6.198 1.00 0.00 N ATOM 0 H ARG A 45 1.929 -4.297 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 45 2.304 -6.912 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.025 -5.644 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.108 -4.275 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.018 -5.877 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.773 -7.036 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.332 -5.824 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.738 -5.292 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 45 2.586 -3.136 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.252 -5.476 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.505 -4.233 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.206 -1.528 -6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.911 -1.990 -6.174 1.00 0.00 H new ATOM 726 N SER A 46 4.686 -6.534 -1.986 1.00 0.00 N ATOM 727 CA SER A 46 6.104 -6.363 -1.721 1.00 0.00 C ATOM 728 C SER A 46 6.850 -6.078 -3.026 1.00 0.00 C ATOM 729 O SER A 46 6.344 -6.365 -4.110 1.00 0.00 O ATOM 730 CB SER A 46 6.689 -7.600 -1.036 1.00 0.00 C ATOM 731 OG SER A 46 7.801 -8.131 -1.750 1.00 0.00 O ATOM 0 H SER A 46 4.350 -7.494 -1.908 1.00 0.00 H new ATOM 0 HA SER A 46 6.226 -5.515 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.999 -7.341 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.917 -8.364 -0.947 1.00 0.00 H new ATOM 0 HG SER A 46 8.629 -7.736 -1.406 1.00 0.00 H new ATOM 737 N ARG A 47 8.041 -5.515 -2.879 1.00 0.00 N ATOM 738 CA ARG A 47 8.861 -5.188 -4.033 1.00 0.00 C ATOM 739 C ARG A 47 9.141 -6.445 -4.859 1.00 0.00 C ATOM 740 O ARG A 47 9.518 -6.353 -6.026 1.00 0.00 O ATOM 741 CB ARG A 47 10.189 -4.561 -3.604 1.00 0.00 C ATOM 742 CG ARG A 47 9.980 -3.141 -3.075 1.00 0.00 C ATOM 743 CD ARG A 47 9.734 -3.150 -1.564 1.00 0.00 C ATOM 744 NE ARG A 47 10.434 -2.009 -0.931 1.00 0.00 N ATOM 745 CZ ARG A 47 11.766 -1.908 -0.831 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.551 -2.877 -1.320 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.314 -0.837 -0.240 1.00 0.00 N ATOM 0 H ARG A 47 8.457 -5.277 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 47 8.310 -4.468 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.653 -5.176 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.875 -4.540 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.855 -2.532 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.132 -2.681 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.665 -3.090 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.088 -4.088 -1.135 1.00 0.00 H new ATOM 0 HE ARG A 47 9.867 -1.253 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.135 -3.693 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.565 -2.799 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.717 -0.099 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.328 -0.760 -0.164 1.00 0.00 H new ATOM 761 N SER A 48 8.946 -7.589 -4.221 1.00 0.00 N ATOM 762 CA SER A 48 9.173 -8.863 -4.883 1.00 0.00 C ATOM 763 C SER A 48 8.097 -9.100 -5.945 1.00 0.00 C ATOM 764 O SER A 48 8.175 -10.060 -6.709 1.00 0.00 O ATOM 765 CB SER A 48 9.185 -10.013 -3.874 1.00 0.00 C ATOM 766 OG SER A 48 10.500 -10.300 -3.407 1.00 0.00 O ATOM 0 H SER A 48 8.633 -7.661 -3.253 1.00 0.00 H new ATOM 0 HA SER A 48 10.150 -8.829 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.547 -9.759 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.762 -10.905 -4.336 1.00 0.00 H new ATOM 0 HG SER A 48 10.465 -11.038 -2.764 1.00 0.00 H new ATOM 772 N GLY A 49 7.117 -8.208 -5.958 1.00 0.00 N ATOM 773 CA GLY A 49 6.027 -8.308 -6.914 1.00 0.00 C ATOM 774 C GLY A 49 4.859 -9.104 -6.331 1.00 0.00 C ATOM 775 O GLY A 49 3.743 -9.044 -6.846 1.00 0.00 O ATOM 0 H GLY A 49 7.055 -7.413 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.689 -7.310 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.381 -8.789 -7.826 1.00 0.00 H new ATOM 779 N GLN A 50 5.154 -9.833 -5.264 1.00 0.00 N ATOM 780 CA GLN A 50 4.141 -10.640 -4.606 1.00 0.00 C ATOM 781 C GLN A 50 3.059 -9.744 -4.000 1.00 0.00 C ATOM 782 O GLN A 50 3.321 -8.591 -3.661 1.00 0.00 O ATOM 783 CB GLN A 50 4.767 -11.542 -3.540 1.00 0.00 C ATOM 784 CG GLN A 50 4.819 -12.996 -4.013 1.00 0.00 C ATOM 785 CD GLN A 50 5.727 -13.143 -5.235 1.00 0.00 C ATOM 786 OE1 GLN A 50 5.317 -12.965 -6.370 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.981 -13.476 -4.941 1.00 0.00 N ATOM 0 H GLN A 50 6.080 -9.881 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 50 3.675 -11.284 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.774 -11.194 -3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.189 -11.476 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.184 -13.632 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.814 -13.338 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.258 -13.610 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.665 -13.597 -5.688 1.00 0.00 H new ATOM 796 N ALA A 51 1.866 -10.309 -3.883 1.00 0.00 N ATOM 797 CA ALA A 51 0.743 -9.575 -3.324 1.00 0.00 C ATOM 798 C ALA A 51 -0.148 -10.538 -2.537 1.00 0.00 C ATOM 799 O ALA A 51 -0.535 -11.589 -3.046 1.00 0.00 O ATOM 800 CB ALA A 51 -0.015 -8.867 -4.449 1.00 0.00 C ATOM 0 H ALA A 51 1.653 -11.266 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 51 1.091 -8.808 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.857 -8.316 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.654 -8.174 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.383 -9.606 -5.161 1.00 0.00 H new ATOM 806 N GLY A 52 -0.448 -10.145 -1.307 1.00 0.00 N ATOM 807 CA GLY A 52 -1.286 -10.960 -0.445 1.00 0.00 C ATOM 808 C GLY A 52 -2.076 -10.089 0.534 1.00 0.00 C ATOM 809 O GLY A 52 -1.775 -8.908 0.702 1.00 0.00 O ATOM 0 H GLY A 52 -0.125 -9.273 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.975 -11.548 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.667 -11.666 0.109 1.00 0.00 H new ATOM 813 N TYR A 53 -3.072 -10.705 1.154 1.00 0.00 N ATOM 814 CA TYR A 53 -3.908 -10.001 2.111 1.00 0.00 C ATOM 815 C TYR A 53 -3.390 -10.193 3.537 1.00 0.00 C ATOM 816 O TYR A 53 -2.833 -11.240 3.864 1.00 0.00 O ATOM 817 CB TYR A 53 -5.299 -10.628 1.998 1.00 0.00 C ATOM 818 CG TYR A 53 -6.085 -10.181 0.763 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.562 -8.889 0.679 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.315 -11.071 -0.267 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.302 -8.469 -0.483 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.054 -10.651 -1.429 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.511 -9.371 -1.480 1.00 0.00 C ATOM 824 OH TYR A 53 -8.209 -8.974 -2.577 1.00 0.00 O ATOM 0 H TYR A 53 -3.319 -11.684 1.012 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.913 -8.931 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.197 -11.713 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.872 -10.379 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.380 -8.193 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.941 -12.082 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.682 -7.461 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.241 -11.337 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.280 -9.721 -3.207 1.00 0.00 H new ATOM 834 N VAL A 54 -3.591 -9.165 4.349 1.00 0.00 N ATOM 835 CA VAL A 54 -3.151 -9.208 5.734 1.00 0.00 C ATOM 836 C VAL A 54 -4.107 -8.380 6.594 1.00 0.00 C ATOM 837 O VAL A 54 -4.912 -7.611 6.070 1.00 0.00 O ATOM 838 CB VAL A 54 -1.698 -8.740 5.835 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.740 -9.932 5.882 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.344 -7.797 4.683 1.00 0.00 C ATOM 0 H VAL A 54 -4.052 -8.298 4.075 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.177 -10.230 6.112 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.589 -8.186 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.286 -9.571 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.969 -10.549 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.853 -10.526 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.306 -7.479 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.479 -8.316 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.995 -6.923 4.715 1.00 0.00 H new ATOM 850 N PRO A 55 -3.984 -8.570 7.935 1.00 0.00 N ATOM 851 CA PRO A 55 -4.828 -7.849 8.874 1.00 0.00 C ATOM 852 C PRO A 55 -4.382 -6.391 9.004 1.00 0.00 C ATOM 853 O PRO A 55 -3.188 -6.098 8.972 1.00 0.00 O ATOM 854 CB PRO A 55 -4.717 -8.623 10.177 1.00 0.00 C ATOM 855 CG PRO A 55 -3.461 -9.471 10.052 1.00 0.00 C ATOM 856 CD PRO A 55 -3.042 -9.471 8.591 1.00 0.00 C ATOM 0 HA PRO A 55 -5.867 -7.791 8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.648 -7.946 11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.596 -9.248 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.665 -9.068 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.651 -10.488 10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.015 -9.124 8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.091 -10.473 8.165 1.00 0.00 H new ATOM 864 N CYS A 56 -5.366 -5.516 9.148 1.00 0.00 N ATOM 865 CA CYS A 56 -5.090 -4.096 9.284 1.00 0.00 C ATOM 866 C CYS A 56 -4.662 -3.825 10.727 1.00 0.00 C ATOM 867 O CYS A 56 -4.337 -2.692 11.080 1.00 0.00 O ATOM 868 CB CYS A 56 -6.295 -3.244 8.877 1.00 0.00 C ATOM 869 SG CYS A 56 -7.573 -3.303 10.186 1.00 0.00 S ATOM 0 H CYS A 56 -6.355 -5.763 9.173 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.283 -3.814 8.608 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.982 -2.214 8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.708 -3.609 7.937 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.590 -2.575 9.832 1.00 0.00 H new ATOM 875 N ASN A 57 -4.674 -4.884 11.523 1.00 0.00 N ATOM 876 CA ASN A 57 -4.290 -4.775 12.920 1.00 0.00 C ATOM 877 C ASN A 57 -2.785 -4.520 13.013 1.00 0.00 C ATOM 878 O ASN A 57 -2.326 -3.810 13.906 1.00 0.00 O ATOM 879 CB ASN A 57 -4.598 -6.068 13.678 1.00 0.00 C ATOM 880 CG ASN A 57 -6.027 -6.056 14.225 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.996 -6.228 13.504 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.104 -5.845 15.535 1.00 0.00 N ATOM 0 H ASN A 57 -4.944 -5.822 11.227 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.855 -3.954 13.362 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.466 -6.923 13.015 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.892 -6.189 14.499 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.014 -5.820 15.995 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.253 -5.708 16.080 1.00 0.00 H new ATOM 889 N ILE A 58 -2.058 -5.113 12.077 1.00 0.00 N ATOM 890 CA ILE A 58 -0.613 -4.958 12.042 1.00 0.00 C ATOM 891 C ILE A 58 -0.253 -3.781 11.133 1.00 0.00 C ATOM 892 O ILE A 58 0.849 -3.240 11.220 1.00 0.00 O ATOM 893 CB ILE A 58 0.056 -6.274 11.639 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.275 -6.637 10.190 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.313 -7.397 12.610 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.311 -8.000 9.819 1.00 0.00 C ATOM 0 H ILE A 58 -2.442 -5.701 11.338 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.230 -4.723 13.035 1.00 0.00 H new ATOM 0 HB ILE A 58 1.136 -6.140 11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.356 -6.653 10.053 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.120 -5.873 9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.176 -8.321 12.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.016 -7.132 13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.394 -7.540 12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.061 -8.234 8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.395 -7.974 9.934 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.105 -8.765 10.474 1.00 0.00 H new ATOM 908 N LEU A 59 -1.202 -3.419 10.283 1.00 0.00 N ATOM 909 CA LEU A 59 -0.997 -2.316 9.359 1.00 0.00 C ATOM 910 C LEU A 59 -1.002 -0.999 10.136 1.00 0.00 C ATOM 911 O LEU A 59 -1.602 -0.907 11.206 1.00 0.00 O ATOM 912 CB LEU A 59 -2.027 -2.367 8.228 1.00 0.00 C ATOM 913 CG LEU A 59 -1.967 -3.597 7.321 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.092 -3.569 6.284 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.589 -3.730 6.668 1.00 0.00 C ATOM 0 H LEU A 59 -2.115 -3.869 10.214 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.023 -2.398 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.023 -2.313 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.903 -1.478 7.610 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.119 -4.483 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.026 -4.455 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.056 -3.557 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.996 -2.675 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.573 -4.612 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.383 -2.843 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.172 -3.829 7.442 1.00 0.00 H new ATOM 927 N GLY A 60 -0.326 -0.011 9.568 1.00 0.00 N ATOM 928 CA GLY A 60 -0.244 1.298 10.194 1.00 0.00 C ATOM 929 C GLY A 60 -0.186 2.407 9.142 1.00 0.00 C ATOM 930 O GLY A 60 0.568 2.311 8.175 1.00 0.00 O ATOM 0 H GLY A 60 0.170 -0.091 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.108 1.450 10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.641 1.347 10.828 1.00 0.00 H new