USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 Set 1.1: A 61 THR OG1 : rot 2:sc= 0.532! USER MOD Set 1.2: A 68 GLN : amide:sc= -1.46 K(o=-0.92,f=0.52) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 17 ASN : amide:sc= 0.181 K(o=0.18,f=-0.59) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -0.935 (180deg=-3.04!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -14.6! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0246 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -2.73! (180deg=-4.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -152:sc= -0.289 (180deg=-1.21) USER MOD Single : A 75 SER OG : rot 124:sc= 0.179 USER MOD Single : A 77 GLN : amide:sc= -8.29! K(o=-8.3!,f=-1.6) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 8:sc= 0.287 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.83 K(o=-1.8,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.361 -5.241 -2.755 1.00 0.00 N ATOM 91 CA VAL A 7 -14.554 -3.990 -2.045 1.00 0.00 C ATOM 92 C VAL A 7 -13.623 -2.885 -2.553 1.00 0.00 C ATOM 93 O VAL A 7 -14.087 -1.918 -3.154 1.00 0.00 O ATOM 94 CB VAL A 7 -14.398 -4.171 -0.515 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.629 -3.656 0.202 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.160 -5.633 -0.158 1.00 0.00 C ATOM 0 HA VAL A 7 -15.578 -3.677 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.530 -3.595 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.506 -3.789 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.763 -2.597 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.505 -4.211 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.054 -5.731 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.006 -6.232 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.250 -5.983 -0.645 1.00 0.00 H new ATOM 106 N PRO A 8 -12.295 -2.979 -2.315 1.00 0.00 N ATOM 107 CA PRO A 8 -11.345 -1.966 -2.739 1.00 0.00 C ATOM 108 C PRO A 8 -10.508 -2.392 -3.961 1.00 0.00 C ATOM 109 O PRO A 8 -11.052 -2.656 -5.034 1.00 0.00 O ATOM 110 CB PRO A 8 -10.496 -1.883 -1.480 1.00 0.00 C ATOM 111 CG PRO A 8 -10.338 -3.320 -1.084 1.00 0.00 C ATOM 112 CD PRO A 8 -11.579 -4.040 -1.587 1.00 0.00 C ATOM 0 HA PRO A 8 -11.799 -1.032 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.533 -1.409 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.987 -1.301 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.436 -3.747 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.244 -3.417 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.326 -4.877 -2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.175 -4.442 -0.767 1.00 0.00 H new ATOM 120 N LEU A 9 -9.183 -2.443 -3.787 1.00 0.00 N ATOM 121 CA LEU A 9 -8.255 -2.816 -4.850 1.00 0.00 C ATOM 122 C LEU A 9 -8.524 -4.219 -5.390 1.00 0.00 C ATOM 123 O LEU A 9 -8.534 -5.196 -4.641 1.00 0.00 O ATOM 124 CB LEU A 9 -6.822 -2.756 -4.295 1.00 0.00 C ATOM 125 CG LEU A 9 -5.657 -2.903 -5.302 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.122 -3.436 -6.641 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.936 -1.580 -5.501 1.00 0.00 C ATOM 0 H LEU A 9 -8.727 -2.225 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.389 -2.116 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.701 -1.804 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.719 -3.541 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.965 -3.627 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.269 -3.522 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.577 -4.417 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.855 -2.753 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.122 -1.713 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.636 -0.838 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.532 -1.239 -4.548 1.00 0.00 H new ATOM 139 N THR A 10 -8.684 -4.312 -6.710 1.00 0.00 N ATOM 140 CA THR A 10 -8.886 -5.593 -7.367 1.00 0.00 C ATOM 141 C THR A 10 -7.565 -6.063 -7.971 1.00 0.00 C ATOM 142 O THR A 10 -6.973 -5.378 -8.806 1.00 0.00 O ATOM 143 CB THR A 10 -9.944 -5.488 -8.463 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.225 -5.248 -7.907 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.033 -6.737 -9.313 1.00 0.00 C ATOM 0 H THR A 10 -8.677 -3.511 -7.342 1.00 0.00 H new ATOM 0 HA THR A 10 -9.235 -6.312 -6.626 1.00 0.00 H new ATOM 0 HB THR A 10 -9.634 -4.655 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.887 -5.183 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.801 -6.605 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.072 -6.919 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.290 -7.588 -8.683 1.00 0.00 H new ATOM 153 N PHE A 11 -7.104 -7.226 -7.539 1.00 0.00 N ATOM 154 CA PHE A 11 -5.848 -7.784 -8.029 1.00 0.00 C ATOM 155 C PHE A 11 -6.079 -8.616 -9.292 1.00 0.00 C ATOM 156 O PHE A 11 -7.207 -8.732 -9.770 1.00 0.00 O ATOM 157 CB PHE A 11 -5.199 -8.634 -6.937 1.00 0.00 C ATOM 158 CG PHE A 11 -5.882 -9.937 -6.732 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.033 -10.028 -5.972 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.376 -11.069 -7.322 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.671 -11.240 -5.811 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.996 -12.283 -7.165 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.149 -12.370 -6.410 1.00 0.00 C ATOM 0 H PHE A 11 -7.581 -7.805 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.177 -6.964 -8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.156 -8.814 -7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.203 -8.077 -6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.436 -9.144 -5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.478 -11.003 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.573 -11.305 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.584 -13.167 -7.630 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.643 -13.323 -6.288 1.00 0.00 H new ATOM 173 N THR A 12 -5.004 -9.185 -9.830 1.00 0.00 N ATOM 174 CA THR A 12 -5.099 -9.999 -11.045 1.00 0.00 C ATOM 175 C THR A 12 -5.485 -11.440 -10.714 1.00 0.00 C ATOM 176 O THR A 12 -5.994 -11.721 -9.640 1.00 0.00 O ATOM 177 CB THR A 12 -3.771 -9.973 -11.808 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.961 -10.370 -13.158 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.714 -10.874 -11.204 1.00 0.00 C ATOM 0 H THR A 12 -4.061 -9.100 -9.449 1.00 0.00 H new ATOM 0 HA THR A 12 -5.880 -9.573 -11.675 1.00 0.00 H new ATOM 0 HB THR A 12 -3.421 -8.943 -11.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.103 -10.346 -13.630 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.799 -10.808 -11.793 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.510 -10.560 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.071 -11.904 -11.203 1.00 0.00 H new ATOM 187 N ASP A 13 -5.240 -12.351 -11.646 1.00 0.00 N ATOM 188 CA ASP A 13 -5.552 -13.753 -11.432 1.00 0.00 C ATOM 189 C ASP A 13 -4.357 -14.494 -10.849 1.00 0.00 C ATOM 190 O ASP A 13 -4.499 -15.325 -9.956 1.00 0.00 O ATOM 191 CB ASP A 13 -5.969 -14.407 -12.754 1.00 0.00 C ATOM 192 CG ASP A 13 -7.196 -13.753 -13.358 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.252 -12.501 -13.381 1.00 0.00 O ATOM 194 OD2 ASP A 13 -8.099 -14.491 -13.807 1.00 0.00 O ATOM 0 H ASP A 13 -4.827 -12.143 -12.555 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.377 -13.812 -10.722 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.143 -14.348 -13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.170 -15.465 -12.586 1.00 0.00 H new ATOM 199 N ALA A 14 -3.185 -14.203 -11.391 1.00 0.00 N ATOM 200 CA ALA A 14 -1.954 -14.844 -10.955 1.00 0.00 C ATOM 201 C ALA A 14 -1.687 -14.603 -9.479 1.00 0.00 C ATOM 202 O ALA A 14 -1.283 -15.519 -8.762 1.00 0.00 O ATOM 203 CB ALA A 14 -0.783 -14.363 -11.794 1.00 0.00 C ATOM 0 H ALA A 14 -3.060 -13.521 -12.140 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.072 -15.918 -11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.131 -14.851 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.960 -14.609 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.678 -13.283 -11.688 1.00 0.00 H new ATOM 209 N ALA A 15 -1.931 -13.380 -9.013 1.00 0.00 N ATOM 210 CA ALA A 15 -1.726 -13.069 -7.604 1.00 0.00 C ATOM 211 C ALA A 15 -2.458 -14.102 -6.767 1.00 0.00 C ATOM 212 O ALA A 15 -1.992 -14.513 -5.705 1.00 0.00 O ATOM 213 CB ALA A 15 -2.193 -11.656 -7.288 1.00 0.00 C ATOM 0 H ALA A 15 -2.265 -12.601 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.663 -13.109 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.030 -11.447 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.629 -10.943 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.255 -11.564 -7.516 1.00 0.00 H new ATOM 219 N ALA A 16 -3.589 -14.558 -7.298 1.00 0.00 N ATOM 220 CA ALA A 16 -4.375 -15.593 -6.651 1.00 0.00 C ATOM 221 C ALA A 16 -3.642 -16.917 -6.758 1.00 0.00 C ATOM 222 O ALA A 16 -3.564 -17.691 -5.805 1.00 0.00 O ATOM 223 CB ALA A 16 -5.728 -15.718 -7.325 1.00 0.00 C ATOM 0 H ALA A 16 -3.979 -14.222 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.520 -15.329 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.309 -16.497 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.259 -14.769 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.589 -15.978 -8.374 1.00 0.00 H new ATOM 229 N ASN A 17 -3.112 -17.157 -7.950 1.00 0.00 N ATOM 230 CA ASN A 17 -2.382 -18.375 -8.250 1.00 0.00 C ATOM 231 C ASN A 17 -1.153 -18.525 -7.356 1.00 0.00 C ATOM 232 O ASN A 17 -0.793 -19.640 -6.982 1.00 0.00 O ATOM 233 CB ASN A 17 -1.945 -18.371 -9.714 1.00 0.00 C ATOM 234 CG ASN A 17 -3.087 -18.645 -10.673 1.00 0.00 C ATOM 235 OD1 ASN A 17 -3.176 -19.722 -11.260 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.965 -17.666 -10.835 1.00 0.00 N ATOM 0 H ASN A 17 -3.178 -16.510 -8.735 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.048 -19.217 -8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.501 -17.404 -9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.169 -19.122 -9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.755 -17.789 -11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.851 -16.789 -10.327 1.00 0.00 H new ATOM 243 N LYS A 18 -0.511 -17.418 -7.031 1.00 0.00 N ATOM 244 CA LYS A 18 0.675 -17.454 -6.194 1.00 0.00 C ATOM 245 C LYS A 18 0.307 -17.817 -4.763 1.00 0.00 C ATOM 246 O LYS A 18 1.121 -18.367 -4.021 1.00 0.00 O ATOM 247 CB LYS A 18 1.384 -16.105 -6.238 1.00 0.00 C ATOM 248 CG LYS A 18 2.813 -16.158 -5.733 1.00 0.00 C ATOM 249 CD LYS A 18 2.997 -15.269 -4.518 1.00 0.00 C ATOM 250 CE LYS A 18 2.970 -16.065 -3.229 1.00 0.00 C ATOM 251 NZ LYS A 18 3.817 -17.287 -3.306 1.00 0.00 N ATOM 0 H LYS A 18 -0.790 -16.484 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 18 1.351 -18.219 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.383 -15.736 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.822 -15.388 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.074 -17.185 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.493 -15.843 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.945 -14.737 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.210 -14.515 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.316 -15.436 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.943 -16.350 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.226 -17.485 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.235 -18.094 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.582 -17.136 -3.994 1.00 0.00 H new ATOM 265 N VAL A 19 -0.931 -17.519 -4.389 1.00 0.00 N ATOM 266 CA VAL A 19 -1.425 -17.821 -3.061 1.00 0.00 C ATOM 267 C VAL A 19 -1.864 -19.276 -2.984 1.00 0.00 C ATOM 268 O VAL A 19 -1.281 -20.070 -2.255 1.00 0.00 O ATOM 269 CB VAL A 19 -2.611 -16.905 -2.697 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.197 -17.277 -1.343 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.174 -15.448 -2.724 1.00 0.00 C ATOM 0 H VAL A 19 -1.613 -17.064 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.617 -17.648 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.396 -17.044 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.031 -16.614 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.549 -18.308 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.431 -17.176 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.019 -14.810 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.371 -15.296 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.819 -15.193 -3.723 1.00 0.00 H new ATOM 281 N LYS A 20 -2.893 -19.609 -3.755 1.00 0.00 N ATOM 282 CA LYS A 20 -3.428 -20.960 -3.795 1.00 0.00 C ATOM 283 C LYS A 20 -2.362 -21.989 -4.146 1.00 0.00 C ATOM 284 O LYS A 20 -2.551 -23.187 -3.919 1.00 0.00 O ATOM 285 CB LYS A 20 -4.549 -21.054 -4.826 1.00 0.00 C ATOM 286 CG LYS A 20 -4.265 -20.311 -6.123 1.00 0.00 C ATOM 287 CD LYS A 20 -4.531 -21.185 -7.341 1.00 0.00 C ATOM 288 CE LYS A 20 -5.932 -21.768 -7.312 1.00 0.00 C ATOM 289 NZ LYS A 20 -6.022 -23.032 -8.101 1.00 0.00 N ATOM 0 H LYS A 20 -3.376 -18.951 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.807 -21.178 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.731 -22.104 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.465 -20.660 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.886 -19.417 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.227 -19.979 -6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.400 -20.596 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.800 -21.993 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.224 -21.962 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.637 -21.039 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.994 -23.400 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.768 -22.842 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.367 -23.736 -7.705 1.00 0.00 H new ATOM 303 N SER A 21 -1.268 -21.537 -4.741 1.00 0.00 N ATOM 304 CA SER A 21 -0.213 -22.448 -5.161 1.00 0.00 C ATOM 305 C SER A 21 0.809 -22.707 -4.061 1.00 0.00 C ATOM 306 O SER A 21 1.207 -23.853 -3.839 1.00 0.00 O ATOM 307 CB SER A 21 0.495 -21.905 -6.402 1.00 0.00 C ATOM 308 OG SER A 21 1.535 -22.773 -6.817 1.00 0.00 O ATOM 0 H SER A 21 -1.088 -20.553 -4.943 1.00 0.00 H new ATOM 0 HA SER A 21 -0.693 -23.399 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.225 -21.783 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.905 -20.918 -6.188 1.00 0.00 H new ATOM 0 HG SER A 21 1.971 -22.404 -7.613 1.00 0.00 H new ATOM 314 N LEU A 22 1.238 -21.660 -3.386 1.00 0.00 N ATOM 315 CA LEU A 22 2.224 -21.817 -2.328 1.00 0.00 C ATOM 316 C LEU A 22 1.549 -22.248 -1.034 1.00 0.00 C ATOM 317 O LEU A 22 2.174 -22.878 -0.185 1.00 0.00 O ATOM 318 CB LEU A 22 3.058 -20.525 -2.154 1.00 0.00 C ATOM 319 CG LEU A 22 2.703 -19.613 -0.973 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.292 -19.089 -1.120 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.886 -20.327 0.364 1.00 0.00 C ATOM 0 H LEU A 22 0.927 -20.702 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 22 2.921 -22.606 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.106 -20.810 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.970 -19.941 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 22 3.390 -18.767 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.054 -18.443 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.210 -18.520 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.594 -19.926 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.625 -19.649 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.239 -21.203 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.925 -20.639 0.471 1.00 0.00 H new ATOM 333 N ILE A 23 0.266 -21.932 -0.890 1.00 0.00 N ATOM 334 CA ILE A 23 -0.474 -22.313 0.293 1.00 0.00 C ATOM 335 C ILE A 23 -0.761 -23.795 0.256 1.00 0.00 C ATOM 336 O ILE A 23 -0.484 -24.518 1.215 1.00 0.00 O ATOM 337 CB ILE A 23 -1.786 -21.542 0.414 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.626 -21.720 -0.838 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.507 -20.072 0.646 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.677 -22.789 -0.710 1.00 0.00 C ATOM 0 H ILE A 23 -0.276 -21.413 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 23 0.138 -22.071 1.162 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.342 -21.937 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.110 -20.773 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.970 -21.965 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.450 -19.532 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.935 -19.951 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.935 -19.674 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.238 -22.861 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.199 -23.746 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.356 -22.536 0.104 1.00 0.00 H new ATOM 352 N SER A 24 -1.267 -24.257 -0.868 1.00 0.00 N ATOM 353 CA SER A 24 -1.545 -25.663 -1.054 1.00 0.00 C ATOM 354 C SER A 24 -0.260 -26.450 -0.845 1.00 0.00 C ATOM 355 O SER A 24 -0.283 -27.639 -0.497 1.00 0.00 O ATOM 356 CB SER A 24 -2.094 -25.929 -2.452 1.00 0.00 C ATOM 357 OG SER A 24 -3.508 -25.883 -2.458 1.00 0.00 O ATOM 0 H SER A 24 -1.495 -23.673 -1.672 1.00 0.00 H new ATOM 0 HA SER A 24 -2.298 -25.976 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.699 -25.189 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.757 -26.906 -2.799 1.00 0.00 H new ATOM 0 HG SER A 24 -3.837 -26.055 -3.365 1.00 0.00 H new ATOM 363 N GLU A 25 0.864 -25.773 -1.048 1.00 0.00 N ATOM 364 CA GLU A 25 2.171 -26.365 -0.873 1.00 0.00 C ATOM 365 C GLU A 25 2.534 -26.406 0.607 1.00 0.00 C ATOM 366 O GLU A 25 3.372 -27.201 1.021 1.00 0.00 O ATOM 367 CB GLU A 25 3.223 -25.580 -1.659 1.00 0.00 C ATOM 368 CG GLU A 25 3.805 -26.350 -2.833 1.00 0.00 C ATOM 369 CD GLU A 25 4.468 -25.435 -3.846 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.809 -24.294 -3.487 1.00 0.00 O ATOM 371 OE2 GLU A 25 4.641 -25.866 -5.006 1.00 0.00 O ATOM 0 H GLU A 25 0.887 -24.796 -1.339 1.00 0.00 H new ATOM 0 HA GLU A 25 2.146 -27.385 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.776 -24.657 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.031 -25.296 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.534 -27.072 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.013 -26.917 -3.322 1.00 0.00 H new ATOM 378 N GLU A 26 1.875 -25.565 1.396 1.00 0.00 N ATOM 379 CA GLU A 26 2.118 -25.523 2.821 1.00 0.00 C ATOM 380 C GLU A 26 1.386 -26.666 3.504 1.00 0.00 C ATOM 381 O GLU A 26 1.688 -27.024 4.638 1.00 0.00 O ATOM 382 CB GLU A 26 1.681 -24.187 3.411 1.00 0.00 C ATOM 383 CG GLU A 26 2.447 -23.001 2.852 1.00 0.00 C ATOM 384 CD GLU A 26 3.588 -22.567 3.751 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.320 -21.899 4.770 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.751 -22.895 3.433 1.00 0.00 O ATOM 0 H GLU A 26 1.170 -24.906 1.067 1.00 0.00 H new ATOM 0 HA GLU A 26 3.189 -25.632 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.617 -24.045 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.810 -24.216 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.842 -23.259 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.762 -22.165 2.711 1.00 0.00 H new ATOM 393 N GLU A 27 0.401 -27.207 2.805 1.00 0.00 N ATOM 394 CA GLU A 27 -0.415 -28.294 3.320 1.00 0.00 C ATOM 395 C GLU A 27 -1.506 -27.732 4.217 1.00 0.00 C ATOM 396 O GLU A 27 -2.197 -28.480 4.910 1.00 0.00 O ATOM 397 CB GLU A 27 0.439 -29.308 4.099 1.00 0.00 C ATOM 398 CG GLU A 27 0.051 -30.750 3.833 1.00 0.00 C ATOM 399 CD GLU A 27 0.305 -31.174 2.398 1.00 0.00 C ATOM 400 OE1 GLU A 27 1.284 -30.678 1.799 1.00 0.00 O ATOM 401 OE2 GLU A 27 -0.472 -31.998 1.875 1.00 0.00 O ATOM 0 H GLU A 27 0.145 -26.905 1.865 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.868 -28.815 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.487 -29.167 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.348 -29.105 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.611 -31.401 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.005 -30.886 4.065 1.00 0.00 H new ATOM 408 N ASN A 28 -1.675 -26.407 4.184 1.00 0.00 N ATOM 409 CA ASN A 28 -2.701 -25.777 4.998 1.00 0.00 C ATOM 410 C ASN A 28 -4.056 -26.347 4.649 1.00 0.00 C ATOM 411 O ASN A 28 -4.643 -27.092 5.437 1.00 0.00 O ATOM 412 CB ASN A 28 -2.754 -24.251 4.791 1.00 0.00 C ATOM 413 CG ASN A 28 -1.448 -23.645 4.337 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.476 -23.583 5.093 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.422 -23.202 3.096 1.00 0.00 N ATOM 0 H ASN A 28 -1.124 -25.767 3.613 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.448 -25.979 6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.524 -24.022 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.056 -23.779 5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.570 -22.785 2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.254 -23.277 2.510 1.00 0.00 H new ATOM 422 N THR A 29 -4.546 -25.982 3.466 1.00 0.00 N ATOM 423 CA THR A 29 -5.860 -26.451 3.003 1.00 0.00 C ATOM 424 C THR A 29 -6.441 -25.562 1.896 1.00 0.00 C ATOM 425 O THR A 29 -6.947 -26.065 0.891 1.00 0.00 O ATOM 426 CB THR A 29 -6.845 -26.464 4.172 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.185 -26.541 3.706 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.726 -25.227 5.038 1.00 0.00 C ATOM 0 H THR A 29 -4.061 -25.368 2.812 1.00 0.00 H new ATOM 0 HA THR A 29 -5.715 -27.453 2.600 1.00 0.00 H new ATOM 0 HB THR A 29 -6.594 -27.343 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.797 -26.550 4.471 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.446 -25.284 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.718 -25.165 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.928 -24.341 4.436 1.00 0.00 H new ATOM 436 N ASP A 30 -6.392 -24.253 2.116 1.00 0.00 N ATOM 437 CA ASP A 30 -6.943 -23.293 1.168 1.00 0.00 C ATOM 438 C ASP A 30 -6.841 -21.904 1.785 1.00 0.00 C ATOM 439 O ASP A 30 -7.844 -21.287 2.136 1.00 0.00 O ATOM 440 CB ASP A 30 -8.399 -23.618 0.840 1.00 0.00 C ATOM 441 CG ASP A 30 -8.544 -24.306 -0.504 1.00 0.00 C ATOM 442 OD1 ASP A 30 -7.820 -23.923 -1.447 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.382 -25.229 -0.613 1.00 0.00 O ATOM 0 H ASP A 30 -5.975 -23.832 2.946 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.380 -23.338 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.811 -24.258 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.984 -22.698 0.840 1.00 0.00 H new ATOM 448 N LEU A 31 -5.613 -21.473 1.935 1.00 0.00 N ATOM 449 CA LEU A 31 -5.302 -20.201 2.546 1.00 0.00 C ATOM 450 C LEU A 31 -5.923 -19.019 1.823 1.00 0.00 C ATOM 451 O LEU A 31 -6.199 -19.068 0.625 1.00 0.00 O ATOM 452 CB LEU A 31 -3.793 -20.044 2.586 1.00 0.00 C ATOM 453 CG LEU A 31 -3.199 -19.972 3.977 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.884 -18.883 4.774 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.334 -21.316 4.681 1.00 0.00 C ATOM 0 H LEU A 31 -4.792 -21.999 1.634 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.728 -20.203 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.340 -20.882 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.521 -19.139 2.043 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.139 -19.733 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.452 -18.837 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.745 -17.924 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.949 -19.102 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.903 -21.249 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.388 -21.582 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.808 -22.081 4.109 1.00 0.00 H new ATOM 467 N LYS A 32 -6.116 -17.953 2.584 1.00 0.00 N ATOM 468 CA LYS A 32 -6.681 -16.716 2.074 1.00 0.00 C ATOM 469 C LYS A 32 -5.635 -15.610 2.161 1.00 0.00 C ATOM 470 O LYS A 32 -5.103 -15.337 3.237 1.00 0.00 O ATOM 471 CB LYS A 32 -7.926 -16.335 2.883 1.00 0.00 C ATOM 472 CG LYS A 32 -8.839 -17.513 3.188 1.00 0.00 C ATOM 473 CD LYS A 32 -9.855 -17.166 4.264 1.00 0.00 C ATOM 474 CE LYS A 32 -10.727 -15.991 3.851 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.485 -15.432 5.001 1.00 0.00 N ATOM 0 H LYS A 32 -5.884 -17.923 3.577 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.973 -16.852 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.613 -15.876 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.490 -15.582 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.359 -17.817 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.240 -18.364 3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.484 -18.033 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.336 -16.926 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.103 -15.211 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.425 -16.311 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.067 -14.633 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.100 -16.168 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.819 -15.103 5.729 1.00 0.00 H new ATOM 489 N LEU A 33 -5.326 -14.988 1.030 1.00 0.00 N ATOM 490 CA LEU A 33 -4.328 -13.933 0.996 1.00 0.00 C ATOM 491 C LEU A 33 -4.717 -12.786 1.918 1.00 0.00 C ATOM 492 O LEU A 33 -5.897 -12.478 2.080 1.00 0.00 O ATOM 493 CB LEU A 33 -4.165 -13.430 -0.439 1.00 0.00 C ATOM 494 CG LEU A 33 -2.883 -12.646 -0.731 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.976 -11.232 -0.177 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.663 -13.366 -0.168 1.00 0.00 C ATOM 0 H LEU A 33 -5.753 -15.197 0.127 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.379 -14.337 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.204 -14.288 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.018 -12.796 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.768 -12.581 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.054 -10.694 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.817 -10.715 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.124 -11.273 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.765 -12.788 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.769 -13.472 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.581 -14.353 -0.623 1.00 0.00 H new ATOM 508 N ARG A 34 -3.713 -12.150 2.512 1.00 0.00 N ATOM 509 CA ARG A 34 -3.942 -11.026 3.407 1.00 0.00 C ATOM 510 C ARG A 34 -2.879 -9.958 3.189 1.00 0.00 C ATOM 511 O ARG A 34 -1.769 -10.047 3.712 1.00 0.00 O ATOM 512 CB ARG A 34 -3.951 -11.486 4.864 1.00 0.00 C ATOM 513 CG ARG A 34 -4.170 -10.356 5.858 1.00 0.00 C ATOM 514 CD ARG A 34 -3.097 -10.342 6.935 1.00 0.00 C ATOM 515 NE ARG A 34 -2.821 -8.989 7.415 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.208 -8.722 8.566 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.806 -9.708 9.358 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.997 -7.464 8.927 1.00 0.00 N ATOM 0 H ARG A 34 -2.731 -12.396 2.388 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.919 -10.598 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.735 -12.232 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.004 -11.977 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.170 -9.402 5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.150 -10.464 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.414 -10.966 7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.181 -10.780 6.540 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.115 -8.204 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.966 -10.678 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.337 -9.496 10.239 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.304 -6.702 8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.527 -7.258 9.809 1.00 0.00 H new ATOM 532 N VAL A 35 -3.222 -8.968 2.385 1.00 0.00 N ATOM 533 CA VAL A 35 -2.302 -7.891 2.053 1.00 0.00 C ATOM 534 C VAL A 35 -2.070 -6.925 3.203 1.00 0.00 C ATOM 535 O VAL A 35 -2.913 -6.749 4.083 1.00 0.00 O ATOM 536 CB VAL A 35 -2.814 -7.085 0.853 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.760 -6.100 0.371 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.236 -8.016 -0.263 1.00 0.00 C ATOM 0 H VAL A 35 -4.139 -8.886 1.946 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.357 -8.380 1.818 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.685 -6.511 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.147 -5.541 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.512 -5.409 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.864 -6.644 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.597 -7.430 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.383 -8.618 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.032 -8.671 0.091 1.00 0.00 H new ATOM 548 N TYR A 36 -0.914 -6.280 3.148 1.00 0.00 N ATOM 549 CA TYR A 36 -0.513 -5.286 4.131 1.00 0.00 C ATOM 550 C TYR A 36 0.248 -4.175 3.424 1.00 0.00 C ATOM 551 O TYR A 36 0.423 -4.218 2.207 1.00 0.00 O ATOM 552 CB TYR A 36 0.353 -5.905 5.235 1.00 0.00 C ATOM 553 CG TYR A 36 1.059 -7.174 4.819 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.346 -8.345 4.605 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.436 -7.200 4.642 1.00 0.00 C ATOM 556 CE1 TYR A 36 0.984 -9.507 4.224 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.083 -8.359 4.261 1.00 0.00 C ATOM 558 CZ TYR A 36 2.353 -9.510 4.053 1.00 0.00 C ATOM 559 OH TYR A 36 2.993 -10.668 3.674 1.00 0.00 O ATOM 0 H TYR A 36 -0.223 -6.433 2.414 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.406 -4.882 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.097 -5.174 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.275 -6.117 6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.726 -8.347 4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.010 -6.300 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.415 -10.410 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.155 -8.364 4.127 1.00 0.00 H new ATOM 0 HH TYR A 36 3.955 -10.500 3.597 1.00 0.00 H new ATOM 569 N ILE A 37 0.696 -3.180 4.172 1.00 0.00 N ATOM 570 CA ILE A 37 1.427 -2.074 3.573 1.00 0.00 C ATOM 571 C ILE A 37 2.915 -2.393 3.451 1.00 0.00 C ATOM 572 O ILE A 37 3.609 -2.583 4.450 1.00 0.00 O ATOM 573 CB ILE A 37 1.227 -0.770 4.373 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.178 -0.221 4.131 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.267 0.267 3.983 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.458 0.086 2.677 1.00 0.00 C ATOM 0 H ILE A 37 0.569 -3.114 5.182 1.00 0.00 H new ATOM 0 HA ILE A 37 1.023 -1.928 2.571 1.00 0.00 H new ATOM 0 HB ILE A 37 1.347 -0.993 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.910 -0.944 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.312 0.687 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.107 1.178 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.264 -0.122 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.177 0.490 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.472 0.472 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.252 0.832 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.356 -0.825 2.087 1.00 0.00 H new ATOM 672 N GLN A 46 3.086 -1.763 -4.051 1.00 0.00 N ATOM 673 CA GLN A 46 3.477 -3.158 -3.890 1.00 0.00 C ATOM 674 C GLN A 46 2.598 -3.873 -2.870 1.00 0.00 C ATOM 675 O GLN A 46 1.765 -4.698 -3.234 1.00 0.00 O ATOM 676 CB GLN A 46 4.944 -3.250 -3.483 1.00 0.00 C ATOM 677 CG GLN A 46 5.847 -2.323 -4.279 1.00 0.00 C ATOM 678 CD GLN A 46 7.220 -2.198 -3.662 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.682 -1.102 -3.349 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.879 -3.332 -3.496 1.00 0.00 N ATOM 0 HA GLN A 46 3.341 -3.656 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.035 -3.013 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.286 -4.277 -3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.941 -2.697 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.388 -1.337 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.451 -4.216 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.815 -3.323 -3.092 1.00 0.00 H new ATOM 689 N TYR A 47 2.789 -3.561 -1.594 1.00 0.00 N ATOM 690 CA TYR A 47 2.009 -4.187 -0.532 1.00 0.00 C ATOM 691 C TYR A 47 2.406 -5.646 -0.357 1.00 0.00 C ATOM 692 O TYR A 47 2.389 -6.427 -1.309 1.00 0.00 O ATOM 693 CB TYR A 47 0.512 -4.080 -0.828 1.00 0.00 C ATOM 694 CG TYR A 47 0.090 -2.695 -1.258 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.200 -1.714 -0.319 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.012 -2.368 -2.603 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.580 -0.446 -0.710 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.390 -1.101 -3.003 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.673 -0.144 -2.052 1.00 0.00 C ATOM 700 OH TYR A 47 -1.049 1.119 -2.443 1.00 0.00 O ATOM 0 H TYR A 47 3.475 -2.880 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 47 2.220 -3.658 0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.251 -4.792 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.049 -4.364 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.127 -1.947 0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.208 -3.117 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.803 0.306 0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.463 -0.862 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.065 1.167 -3.422 1.00 0.00 H new ATOM 710 N GLY A 48 2.773 -6.003 0.867 1.00 0.00 N ATOM 711 CA GLY A 48 3.181 -7.367 1.153 1.00 0.00 C ATOM 712 C GLY A 48 2.007 -8.314 1.290 1.00 0.00 C ATOM 713 O GLY A 48 1.039 -8.017 1.989 1.00 0.00 O ATOM 0 H GLY A 48 2.796 -5.372 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.836 -7.720 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.763 -7.382 2.074 1.00 0.00 H new ATOM 717 N PHE A 49 2.090 -9.451 0.608 1.00 0.00 N ATOM 718 CA PHE A 49 1.027 -10.447 0.641 1.00 0.00 C ATOM 719 C PHE A 49 1.371 -11.631 1.535 1.00 0.00 C ATOM 720 O PHE A 49 2.458 -12.202 1.445 1.00 0.00 O ATOM 721 CB PHE A 49 0.751 -10.957 -0.769 1.00 0.00 C ATOM 722 CG PHE A 49 -0.186 -10.085 -1.539 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.102 -8.708 -1.441 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.153 -10.643 -2.351 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.970 -7.900 -2.140 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.029 -9.844 -3.053 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.939 -8.468 -2.948 1.00 0.00 C ATOM 0 H PHE A 49 2.886 -9.706 0.024 1.00 0.00 H new ATOM 0 HA PHE A 49 0.144 -9.958 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.693 -11.034 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.335 -11.963 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.652 -8.262 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.224 -11.717 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.895 -6.826 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.784 -10.291 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.624 -7.838 -3.496 1.00 0.00 H new ATOM 737 N THR A 50 0.412 -12.016 2.367 1.00 0.00 N ATOM 738 CA THR A 50 0.577 -13.164 3.253 1.00 0.00 C ATOM 739 C THR A 50 -0.616 -14.098 3.098 1.00 0.00 C ATOM 740 O THR A 50 -1.646 -13.713 2.547 1.00 0.00 O ATOM 741 CB THR A 50 0.718 -12.727 4.714 1.00 0.00 C ATOM 742 OG1 THR A 50 1.247 -13.779 5.503 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.593 -12.301 5.336 1.00 0.00 C ATOM 0 H THR A 50 -0.491 -11.549 2.448 1.00 0.00 H new ATOM 0 HA THR A 50 1.492 -13.686 2.974 1.00 0.00 H new ATOM 0 HB THR A 50 1.391 -11.870 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.331 -13.480 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.425 -12.003 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.004 -11.459 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.297 -13.133 5.307 1.00 0.00 H new ATOM 751 N PHE A 51 -0.480 -15.323 3.576 1.00 0.00 N ATOM 752 CA PHE A 51 -1.551 -16.295 3.473 1.00 0.00 C ATOM 753 C PHE A 51 -2.170 -16.523 4.840 1.00 0.00 C ATOM 754 O PHE A 51 -1.637 -17.241 5.675 1.00 0.00 O ATOM 755 CB PHE A 51 -0.999 -17.569 2.836 1.00 0.00 C ATOM 756 CG PHE A 51 -0.016 -17.223 1.759 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.456 -16.791 0.520 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.343 -17.265 2.009 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.444 -16.404 -0.454 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.250 -16.892 1.039 1.00 0.00 C ATOM 761 CZ PHE A 51 1.802 -16.457 -0.191 1.00 0.00 C ATOM 0 H PHE A 51 0.362 -15.667 4.039 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.353 -15.931 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.517 -18.185 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.815 -18.159 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.515 -16.756 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.698 -17.593 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.090 -16.062 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.310 -16.940 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.511 -16.158 -0.949 1.00 0.00 H new ATOM 771 N ASP A 52 -3.292 -15.845 5.052 1.00 0.00 N ATOM 772 CA ASP A 52 -4.013 -15.893 6.318 1.00 0.00 C ATOM 773 C ASP A 52 -5.422 -16.464 6.146 1.00 0.00 C ATOM 774 O ASP A 52 -6.312 -15.803 5.609 1.00 0.00 O ATOM 775 CB ASP A 52 -4.073 -14.478 6.900 1.00 0.00 C ATOM 776 CG ASP A 52 -5.023 -14.353 8.070 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.249 -14.456 7.855 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.542 -14.143 9.201 1.00 0.00 O ATOM 0 H ASP A 52 -3.728 -15.246 4.350 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.484 -16.557 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.074 -14.181 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.378 -13.783 6.117 1.00 0.00 H new ATOM 783 N GLU A 53 -5.606 -17.700 6.590 1.00 0.00 N ATOM 784 CA GLU A 53 -6.894 -18.384 6.478 1.00 0.00 C ATOM 785 C GLU A 53 -7.892 -17.951 7.557 1.00 0.00 C ATOM 786 O GLU A 53 -9.095 -18.162 7.405 1.00 0.00 O ATOM 787 CB GLU A 53 -6.683 -19.900 6.576 1.00 0.00 C ATOM 788 CG GLU A 53 -7.249 -20.663 5.393 1.00 0.00 C ATOM 789 CD GLU A 53 -8.435 -21.529 5.768 1.00 0.00 C ATOM 790 OE1 GLU A 53 -9.086 -21.231 6.790 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.715 -22.500 5.034 1.00 0.00 O ATOM 0 H GLU A 53 -4.876 -18.256 7.035 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.314 -18.111 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.616 -20.107 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.148 -20.266 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.551 -19.956 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.468 -21.290 4.963 1.00 0.00 H new ATOM 881 N LEU A 60 -10.944 -5.904 5.353 1.00 0.00 N ATOM 882 CA LEU A 60 -11.818 -6.048 4.194 1.00 0.00 C ATOM 883 C LEU A 60 -11.366 -7.232 3.361 1.00 0.00 C ATOM 884 O LEU A 60 -10.175 -7.384 3.092 1.00 0.00 O ATOM 885 CB LEU A 60 -11.854 -4.763 3.362 1.00 0.00 C ATOM 886 CG LEU A 60 -12.039 -3.463 4.160 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.834 -2.455 3.347 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.723 -3.729 5.494 1.00 0.00 C ATOM 0 HA LEU A 60 -12.835 -6.231 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.926 -4.692 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.665 -4.843 2.638 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.052 -3.049 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.958 -1.539 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.302 -2.232 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.814 -2.870 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.840 -2.791 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.704 -4.172 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.116 -4.415 6.084 1.00 0.00 H new ATOM 900 N THR A 61 -12.300 -8.102 2.999 1.00 0.00 N ATOM 901 CA THR A 61 -11.952 -9.302 2.250 1.00 0.00 C ATOM 902 C THR A 61 -12.542 -9.348 0.842 1.00 0.00 C ATOM 903 O THR A 61 -13.762 -9.265 0.656 1.00 0.00 O ATOM 904 CB THR A 61 -12.385 -10.544 3.037 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.744 -10.850 2.788 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.208 -10.399 4.532 1.00 0.00 C ATOM 0 H THR A 61 -13.293 -8.001 3.209 1.00 0.00 H new ATOM 0 HA THR A 61 -10.869 -9.282 2.124 1.00 0.00 H new ATOM 0 HB THR A 61 -11.733 -11.346 2.689 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.111 -10.209 2.144 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.534 -11.314 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.157 -10.218 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.806 -9.560 4.889 1.00 0.00 H new ATOM 914 N ILE A 62 -11.659 -9.535 -0.121 1.00 0.00 N ATOM 915 CA ILE A 62 -12.017 -9.667 -1.526 1.00 0.00 C ATOM 916 C ILE A 62 -11.714 -11.100 -1.953 1.00 0.00 C ATOM 917 O ILE A 62 -10.626 -11.599 -1.692 1.00 0.00 O ATOM 918 CB ILE A 62 -11.214 -8.694 -2.427 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.965 -8.175 -1.703 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.091 -7.541 -2.883 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.259 -7.182 -0.597 1.00 0.00 C ATOM 0 H ILE A 62 -10.656 -9.601 0.051 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.074 -9.424 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.885 -9.244 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.424 -9.022 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.304 -7.706 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.509 -6.869 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.937 -7.930 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.457 -6.996 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.324 -6.864 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.772 -6.315 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.893 -7.652 0.155 1.00 0.00 H new ATOM 933 N GLU A 63 -12.665 -11.777 -2.581 1.00 0.00 N ATOM 934 CA GLU A 63 -12.442 -13.161 -2.990 1.00 0.00 C ATOM 935 C GLU A 63 -11.261 -13.273 -3.946 1.00 0.00 C ATOM 936 O GLU A 63 -10.942 -12.332 -4.673 1.00 0.00 O ATOM 937 CB GLU A 63 -13.695 -13.734 -3.637 1.00 0.00 C ATOM 938 CG GLU A 63 -13.702 -15.249 -3.709 1.00 0.00 C ATOM 939 CD GLU A 63 -15.000 -15.794 -4.261 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.522 -15.217 -5.239 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.495 -16.804 -3.720 1.00 0.00 O ATOM 0 H GLU A 63 -13.584 -11.401 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.209 -13.738 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.568 -13.401 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.791 -13.330 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.875 -15.584 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.534 -15.658 -2.713 1.00 0.00 H new ATOM 948 N LYS A 64 -10.611 -14.434 -3.936 1.00 0.00 N ATOM 949 CA LYS A 64 -9.462 -14.678 -4.791 1.00 0.00 C ATOM 950 C LYS A 64 -9.819 -15.660 -5.890 1.00 0.00 C ATOM 951 O LYS A 64 -10.781 -16.421 -5.769 1.00 0.00 O ATOM 952 CB LYS A 64 -8.303 -15.218 -3.953 1.00 0.00 C ATOM 953 CG LYS A 64 -6.928 -14.860 -4.486 1.00 0.00 C ATOM 954 CD LYS A 64 -6.336 -13.657 -3.771 1.00 0.00 C ATOM 955 CE LYS A 64 -4.899 -13.436 -4.195 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.337 -12.174 -3.642 1.00 0.00 N ATOM 0 H LYS A 64 -10.865 -15.222 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.160 -13.739 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.396 -14.837 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.386 -16.303 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.261 -15.714 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.996 -14.650 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.927 -12.768 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.383 -13.809 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.291 -14.278 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.843 -13.410 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.298 -12.226 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.645 -11.371 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.675 -12.041 -2.667 1.00 0.00 H new ATOM 970 N SER A 65 -9.044 -15.651 -6.967 1.00 0.00 N ATOM 971 CA SER A 65 -9.277 -16.547 -8.098 1.00 0.00 C ATOM 972 C SER A 65 -9.453 -17.982 -7.630 1.00 0.00 C ATOM 973 O SER A 65 -10.265 -18.730 -8.182 1.00 0.00 O ATOM 974 CB SER A 65 -8.104 -16.461 -9.068 1.00 0.00 C ATOM 975 OG SER A 65 -8.554 -16.496 -10.417 1.00 0.00 O ATOM 0 H SER A 65 -8.243 -15.030 -7.083 1.00 0.00 H new ATOM 0 HA SER A 65 -10.193 -16.237 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.547 -15.541 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.418 -17.288 -8.888 1.00 0.00 H new ATOM 0 HG SER A 65 -7.784 -16.438 -11.020 1.00 0.00 H new ATOM 981 N GLY A 66 -8.688 -18.369 -6.622 1.00 0.00 N ATOM 982 CA GLY A 66 -8.768 -19.717 -6.099 1.00 0.00 C ATOM 983 C GLY A 66 -8.803 -19.763 -4.584 1.00 0.00 C ATOM 984 O GLY A 66 -8.696 -20.835 -3.986 1.00 0.00 O ATOM 0 H GLY A 66 -8.009 -17.770 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.662 -20.201 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.912 -20.290 -6.455 1.00 0.00 H new ATOM 988 N VAL A 67 -8.954 -18.595 -3.966 1.00 0.00 N ATOM 989 CA VAL A 67 -9.004 -18.490 -2.509 1.00 0.00 C ATOM 990 C VAL A 67 -9.749 -17.223 -2.097 1.00 0.00 C ATOM 991 O VAL A 67 -10.646 -16.764 -2.806 1.00 0.00 O ATOM 992 CB VAL A 67 -7.586 -18.501 -1.904 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.799 -19.705 -2.383 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.845 -17.215 -2.239 1.00 0.00 C ATOM 0 H VAL A 67 -9.044 -17.703 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.541 -19.356 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.687 -18.569 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.803 -19.688 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.313 -20.618 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.715 -19.676 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.847 -17.246 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.764 -17.113 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.392 -16.364 -1.834 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.367 -16.643 -0.960 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.993 -15.419 -0.482 1.00 0.00 C ATOM 1006 C GLN A 68 -8.929 -14.389 -0.103 1.00 0.00 C ATOM 1007 O GLN A 68 -7.988 -14.698 0.624 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.891 -15.715 0.723 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.374 -15.559 0.427 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.897 -14.193 0.806 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -14.007 -14.066 1.327 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -12.113 -13.160 0.551 1.00 0.00 N ATOM 0 H GLN A 68 -8.628 -17.003 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.606 -15.009 -1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.702 -16.732 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.620 -15.048 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.550 -15.730 -0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.932 -16.322 0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.201 -13.307 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.420 -12.216 0.787 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.080 -13.167 -0.598 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.128 -12.106 -0.293 1.00 0.00 C ATOM 1023 C LEU A 69 -8.679 -11.196 0.799 1.00 0.00 C ATOM 1024 O LEU A 69 -9.836 -10.795 0.752 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.807 -11.291 -1.550 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.979 -10.019 -1.325 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.940 -10.219 -0.232 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.304 -9.608 -2.618 1.00 0.00 C ATOM 0 H LEU A 69 -9.847 -12.887 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.207 -12.565 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.271 -11.932 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.745 -11.012 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.655 -9.227 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.371 -9.299 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.439 -10.476 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.264 -11.026 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.718 -8.704 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.647 -10.409 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.061 -9.414 -3.378 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.853 -10.885 1.788 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.275 -10.030 2.890 1.00 0.00 C ATOM 1042 C VAL A 70 -7.164 -9.048 3.266 1.00 0.00 C ATOM 1043 O VAL A 70 -6.109 -9.441 3.752 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.711 -10.877 4.117 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -9.127 -12.272 3.676 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.614 -10.969 5.168 1.00 0.00 C ATOM 0 H VAL A 70 -6.888 -11.211 1.851 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.140 -9.454 2.561 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.562 -10.371 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.430 -12.854 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.962 -12.199 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.287 -12.764 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.964 -11.570 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.730 -11.434 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.362 -9.968 5.519 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.394 -7.763 3.020 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.384 -6.754 3.322 1.00 0.00 C ATOM 1058 C ILE A 71 -6.742 -5.941 4.562 1.00 0.00 C ATOM 1059 O ILE A 71 -7.867 -6.007 5.064 1.00 0.00 O ATOM 1060 CB ILE A 71 -6.134 -5.812 2.119 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.189 -4.708 2.043 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.114 -6.606 0.822 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.584 -5.224 1.773 1.00 0.00 C ATOM 0 H ILE A 71 -8.258 -7.398 2.618 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.461 -7.296 3.528 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.163 -5.339 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.191 -4.153 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.912 -4.005 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.937 -5.931 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.318 -7.350 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.072 -7.108 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.280 -4.386 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.598 -5.754 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.881 -5.904 2.571 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.766 -5.188 5.058 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.956 -4.372 6.253 1.00 0.00 C ATOM 1077 C ASP A 72 -6.384 -2.942 5.910 1.00 0.00 C ATOM 1078 O ASP A 72 -5.957 -2.377 4.903 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.668 -4.341 7.079 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.498 -3.768 6.303 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.460 -3.950 5.068 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.620 -3.140 6.931 1.00 0.00 O ATOM 0 H ASP A 72 -4.833 -5.125 4.650 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.757 -4.829 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.830 -3.747 7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.424 -5.352 7.405 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.243 -2.343 6.759 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.744 -0.978 6.569 1.00 0.00 C ATOM 1089 C PRO A 73 -6.642 0.018 6.218 1.00 0.00 C ATOM 1090 O PRO A 73 -6.848 0.928 5.417 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.352 -0.640 7.927 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.787 -1.953 8.473 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.790 -2.965 7.974 1.00 0.00 C ATOM 0 HA PRO A 73 -8.445 -0.918 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.624 -0.159 8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.192 0.047 7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.810 -1.933 9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.794 -2.200 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.011 -3.157 8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.265 -3.921 7.756 1.00 0.00 H new ATOM 1101 N MET A 74 -5.469 -0.159 6.816 1.00 0.00 N ATOM 1102 CA MET A 74 -4.342 0.723 6.556 1.00 0.00 C ATOM 1103 C MET A 74 -4.051 0.756 5.056 1.00 0.00 C ATOM 1104 O MET A 74 -3.900 1.818 4.440 1.00 0.00 O ATOM 1105 CB MET A 74 -3.117 0.256 7.363 1.00 0.00 C ATOM 1106 CG MET A 74 -1.777 0.385 6.648 1.00 0.00 C ATOM 1107 SD MET A 74 -0.423 0.758 7.780 1.00 0.00 S ATOM 1108 CE MET A 74 -0.936 2.357 8.405 1.00 0.00 C ATOM 0 H MET A 74 -5.276 -0.906 7.484 1.00 0.00 H new ATOM 0 HA MET A 74 -4.583 1.737 6.874 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.073 0.829 8.289 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.262 -0.788 7.641 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.560 -0.544 6.120 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.844 1.171 5.896 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.057 2.934 8.693 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.484 2.892 7.629 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.580 2.219 9.274 1.00 0.00 H new ATOM 1118 N SER A 75 -4.004 -0.420 4.467 1.00 0.00 N ATOM 1119 CA SER A 75 -3.758 -0.533 3.044 1.00 0.00 C ATOM 1120 C SER A 75 -4.998 -0.127 2.264 1.00 0.00 C ATOM 1121 O SER A 75 -4.901 0.376 1.148 1.00 0.00 O ATOM 1122 CB SER A 75 -3.355 -1.964 2.682 1.00 0.00 C ATOM 1123 OG SER A 75 -2.286 -2.416 3.495 1.00 0.00 O ATOM 0 H SER A 75 -4.132 -1.309 4.949 1.00 0.00 H new ATOM 0 HA SER A 75 -2.939 0.136 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.212 -2.627 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.062 -2.008 1.633 1.00 0.00 H new ATOM 0 HG SER A 75 -2.550 -3.240 3.955 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.168 -0.355 2.856 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.434 -0.027 2.211 1.00 0.00 C ATOM 1131 C LEU A 76 -7.390 1.366 1.576 1.00 0.00 C ATOM 1132 O LEU A 76 -7.793 1.535 0.432 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.577 -0.174 3.219 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.720 0.828 3.103 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.920 0.320 3.865 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.288 2.168 3.649 1.00 0.00 C ATOM 0 H LEU A 76 -6.264 -0.767 3.784 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.613 -0.727 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.992 -1.177 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.158 -0.099 4.223 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.988 0.947 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.736 1.038 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.235 -0.638 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.657 0.192 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.110 2.878 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.010 2.061 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.432 2.533 3.082 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.884 2.352 2.313 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.778 3.715 1.784 1.00 0.00 C ATOM 1150 C GLN A 77 -5.665 3.801 0.749 1.00 0.00 C ATOM 1151 O GLN A 77 -5.672 4.686 -0.106 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.486 4.755 2.875 1.00 0.00 C ATOM 1153 CG GLN A 77 -7.438 4.728 4.057 1.00 0.00 C ATOM 1154 CD GLN A 77 -6.811 4.121 5.297 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -7.197 4.446 6.420 1.00 0.00 O ATOM 1156 NE2 GLN A 77 -5.840 3.235 5.105 1.00 0.00 N ATOM 0 H GLN A 77 -6.544 2.238 3.268 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.747 3.939 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.471 4.600 3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.515 5.748 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.764 5.744 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.328 4.159 3.789 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.550 2.994 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.384 2.796 5.905 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.694 2.896 0.844 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.569 2.902 -0.077 1.00 0.00 C ATOM 1167 C TYR A 78 -3.890 2.176 -1.382 1.00 0.00 C ATOM 1168 O TYR A 78 -3.462 2.596 -2.456 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.348 2.256 0.579 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.752 3.070 1.707 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.528 3.485 2.783 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.405 3.412 1.700 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.980 4.220 3.816 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.149 4.145 2.730 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.641 4.547 3.786 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.092 5.278 4.814 1.00 0.00 O ATOM 0 H TYR A 78 -4.666 2.156 1.545 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.355 3.943 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.631 1.275 0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.584 2.093 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.577 3.228 2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.218 3.099 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.598 4.537 4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.198 4.403 2.709 1.00 0.00 H new ATOM 0 HH TYR A 78 0.862 5.422 4.640 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.616 1.070 -1.278 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.959 0.267 -2.453 1.00 0.00 C ATOM 1188 C LEU A 79 -6.279 0.684 -3.106 1.00 0.00 C ATOM 1189 O LEU A 79 -6.565 0.287 -4.231 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.922 -1.243 -2.137 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.970 -1.832 -1.172 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.344 -2.089 0.183 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.197 -0.949 -1.023 1.00 0.00 C ATOM 0 H LEU A 79 -4.979 0.706 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.187 0.468 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.008 -1.779 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.936 -1.470 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.308 -2.773 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.093 -2.505 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.521 -2.795 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.967 -1.152 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.899 -1.415 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.899 0.025 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.674 -0.822 -1.995 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.096 1.447 -2.384 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.416 1.879 -2.875 1.00 0.00 C ATOM 1207 C ILE A 80 -8.579 1.738 -4.393 1.00 0.00 C ATOM 1208 O ILE A 80 -7.832 2.316 -5.182 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.712 3.351 -2.501 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.839 4.301 -3.318 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.492 3.588 -1.021 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.360 4.043 -3.160 1.00 0.00 C ATOM 0 H ILE A 80 -6.871 1.785 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.123 1.210 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.759 3.550 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.105 4.212 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.055 5.327 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.707 4.630 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.155 2.941 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.456 3.364 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.800 4.754 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.080 4.161 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.131 3.028 -3.485 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.593 0.961 -4.768 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.933 0.713 -6.163 1.00 0.00 C ATOM 1226 C GLY A 81 -8.765 0.725 -7.139 1.00 0.00 C ATOM 1227 O GLY A 81 -8.932 1.124 -8.292 1.00 0.00 O ATOM 0 H GLY A 81 -10.205 0.484 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.429 -0.255 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.656 1.464 -6.481 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.596 0.274 -6.705 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.451 0.237 -7.604 1.00 0.00 C ATOM 1233 C GLY A 82 -6.421 -1.041 -8.423 1.00 0.00 C ATOM 1234 O GLY A 82 -7.467 -1.619 -8.714 1.00 0.00 O ATOM 0 H GLY A 82 -7.417 -0.064 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.486 1.097 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.531 0.320 -7.025 1.00 0.00 H new ATOM 1238 N THR A 83 -5.224 -1.492 -8.790 1.00 0.00 N ATOM 1239 CA THR A 83 -5.074 -2.720 -9.567 1.00 0.00 C ATOM 1240 C THR A 83 -3.746 -3.398 -9.242 1.00 0.00 C ATOM 1241 O THR A 83 -2.706 -2.746 -9.187 1.00 0.00 O ATOM 1242 CB THR A 83 -5.159 -2.427 -11.066 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.493 -2.138 -11.445 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.676 -3.576 -11.928 1.00 0.00 C ATOM 0 H THR A 83 -4.345 -1.027 -8.562 1.00 0.00 H new ATOM 0 HA THR A 83 -5.889 -3.393 -9.298 1.00 0.00 H new ATOM 0 HB THR A 83 -4.507 -1.570 -11.231 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.053 -2.070 -10.644 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.763 -3.303 -12.980 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.634 -3.793 -11.694 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.284 -4.459 -11.731 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.784 -4.712 -9.031 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.571 -5.461 -8.716 1.00 0.00 C ATOM 1254 C VAL A 84 -2.429 -6.694 -9.595 1.00 0.00 C ATOM 1255 O VAL A 84 -3.416 -7.264 -10.055 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.504 -5.893 -7.224 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.759 -5.503 -6.460 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.236 -7.386 -7.088 1.00 0.00 C ATOM 0 H VAL A 84 -4.633 -5.275 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.746 -4.777 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.667 -5.354 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.668 -5.824 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.885 -4.421 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.626 -5.984 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.195 -7.654 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.036 -7.945 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.285 -7.629 -7.561 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.187 -7.111 -9.795 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.897 -8.297 -10.583 1.00 0.00 C ATOM 1270 C ASP A 85 0.393 -8.950 -10.108 1.00 0.00 C ATOM 1271 O ASP A 85 1.330 -8.267 -9.692 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.810 -7.957 -12.071 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.086 -6.649 -12.330 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.733 -5.585 -12.241 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.128 -6.690 -12.620 1.00 0.00 O ATOM 0 H ASP A 85 -0.362 -6.643 -9.420 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.715 -9.004 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.295 -8.763 -12.594 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.816 -7.899 -12.486 1.00 0.00 H new ATOM 1280 N TYR A 86 0.435 -10.274 -10.161 1.00 0.00 N ATOM 1281 CA TYR A 86 1.603 -11.018 -9.725 1.00 0.00 C ATOM 1282 C TYR A 86 2.206 -11.810 -10.877 1.00 0.00 C ATOM 1283 O TYR A 86 1.488 -12.312 -11.742 1.00 0.00 O ATOM 1284 CB TYR A 86 1.212 -11.961 -8.594 1.00 0.00 C ATOM 1285 CG TYR A 86 2.052 -11.813 -7.351 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.434 -11.888 -7.413 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.458 -11.613 -6.113 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.206 -11.767 -6.277 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.220 -11.489 -4.968 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.595 -11.567 -5.055 1.00 0.00 C ATOM 1291 OH TYR A 86 4.362 -11.445 -3.918 1.00 0.00 O ATOM 0 H TYR A 86 -0.331 -10.855 -10.503 1.00 0.00 H new ATOM 0 HA TYR A 86 2.353 -10.311 -9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.167 -11.788 -8.336 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.287 -12.989 -8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.915 -12.044 -8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.382 -11.553 -6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.282 -11.828 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.743 -11.332 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 86 3.778 -11.308 -3.143 1.00 0.00 H new ATOM 1301 N THR A 87 3.527 -11.921 -10.880 1.00 0.00 N ATOM 1302 CA THR A 87 4.224 -12.658 -11.923 1.00 0.00 C ATOM 1303 C THR A 87 5.514 -13.275 -11.391 1.00 0.00 C ATOM 1304 O THR A 87 6.576 -12.661 -11.451 1.00 0.00 O ATOM 1305 CB THR A 87 4.529 -11.737 -13.105 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.331 -11.218 -13.656 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.288 -12.422 -14.223 1.00 0.00 C ATOM 0 H THR A 87 4.136 -11.510 -10.173 1.00 0.00 H new ATOM 0 HA THR A 87 3.575 -13.466 -12.259 1.00 0.00 H new ATOM 0 HB THR A 87 5.156 -10.944 -12.697 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.546 -10.630 -14.410 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.470 -11.710 -15.028 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.240 -12.792 -13.843 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.700 -13.257 -14.603 1.00 0.00 H new ATOM 1413 N PHE A 95 5.996 -8.349 -7.707 1.00 0.00 N ATOM 1414 CA PHE A 95 4.670 -7.835 -7.392 1.00 0.00 C ATOM 1415 C PHE A 95 4.543 -6.370 -7.779 1.00 0.00 C ATOM 1416 O PHE A 95 5.343 -5.534 -7.358 1.00 0.00 O ATOM 1417 CB PHE A 95 4.369 -8.010 -5.902 1.00 0.00 C ATOM 1418 CG PHE A 95 2.905 -7.932 -5.582 1.00 0.00 C ATOM 1419 CD1 PHE A 95 1.976 -8.584 -6.378 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.456 -7.208 -4.489 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.629 -8.512 -6.092 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.109 -7.131 -4.199 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.194 -7.785 -5.003 1.00 0.00 C ATOM 0 HA PHE A 95 3.945 -8.406 -7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.756 -8.974 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.899 -7.242 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.311 -9.155 -7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.168 -6.698 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.085 -9.024 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.770 -6.561 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.861 -7.727 -4.779 1.00 0.00 H new ATOM 1433 N THR A 96 3.532 -6.063 -8.584 1.00 0.00 N ATOM 1434 CA THR A 96 3.308 -4.689 -9.024 1.00 0.00 C ATOM 1435 C THR A 96 1.837 -4.299 -8.929 1.00 0.00 C ATOM 1436 O THR A 96 0.973 -4.933 -9.532 1.00 0.00 O ATOM 1437 CB THR A 96 3.798 -4.495 -10.458 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.825 -5.419 -10.770 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.333 -3.103 -10.722 1.00 0.00 C ATOM 0 H THR A 96 2.859 -6.740 -8.943 1.00 0.00 H new ATOM 0 HA THR A 96 3.877 -4.041 -8.357 1.00 0.00 H new ATOM 0 HB THR A 96 2.922 -4.657 -11.087 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.123 -5.278 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.665 -3.031 -11.758 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.546 -2.370 -10.541 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.174 -2.904 -10.057 1.00 0.00 H new ATOM 1447 N VAL A 97 1.570 -3.240 -8.173 1.00 0.00 N ATOM 1448 CA VAL A 97 0.211 -2.739 -7.996 1.00 0.00 C ATOM 1449 C VAL A 97 0.102 -1.312 -8.524 1.00 0.00 C ATOM 1450 O VAL A 97 1.116 -0.665 -8.785 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.217 -2.765 -6.513 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.726 -2.683 -6.379 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.307 -4.011 -5.816 1.00 0.00 C ATOM 0 H VAL A 97 2.281 -2.709 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.453 -3.395 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 97 0.219 -1.891 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.999 -2.703 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.081 -1.756 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.183 -3.531 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.009 -4.004 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.090 -4.898 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.396 -4.025 -5.865 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.123 -0.823 -8.691 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.331 0.530 -9.199 1.00 0.00 C ATOM 1465 C ASN A 98 -2.599 1.156 -8.628 1.00 0.00 C ATOM 1466 O ASN A 98 -3.665 0.539 -8.627 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.401 0.513 -10.728 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.285 -0.305 -11.346 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.895 -0.005 -11.162 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.652 -1.342 -12.089 1.00 0.00 N ATOM 0 H ASN A 98 -1.979 -1.337 -8.485 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.484 1.138 -8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.363 0.106 -11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.350 1.535 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.056 -1.926 -12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.642 -1.554 -12.215 1.00 0.00 H new