USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 71 GLN : amide:sc= 0.0273 K(o=0.055,f=-1.1) USER MOD Set 1.2: A 75 ASN : amide:sc= 0 X(o=0.055,f=0.028) USER MOD Set 1.3: A 79 LYS NZ :NH3+ -159:sc= 0.028 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot -73:sc= 0.0635 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.312) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= -0.0338 (180deg=-0.162) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 57 SER OG : rot 24:sc= 0.222 USER MOD Single : A 61 THR OG1 : rot 170:sc= 0.212 USER MOD Single : A 62 ASN : amide:sc=-0.00423 K(o=-0.0042,f=-0.52) USER MOD Single : A 68 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.8!) USER MOD Single : A 80 HIS : no HD1:sc= -3.01! C(o=-3!,f=-2.9!) USER MOD Single : A 82 SER OG : rot 9:sc= 0.0917 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.220 -7.214 -5.930 1.00 1.15 N ATOM 136 CA LYS A 13 -14.795 -7.008 -5.511 1.00 1.11 C ATOM 137 C LYS A 13 -13.865 -7.948 -6.293 1.00 1.03 C ATOM 138 O LYS A 13 -14.278 -8.984 -6.787 1.00 1.13 O ATOM 139 CB LYS A 13 -14.651 -7.282 -4.006 1.00 1.17 C ATOM 140 CG LYS A 13 -15.411 -8.561 -3.629 1.00 1.20 C ATOM 141 CD LYS A 13 -14.530 -9.443 -2.741 1.00 1.27 C ATOM 142 CE LYS A 13 -14.106 -10.694 -3.518 1.00 1.67 C ATOM 143 NZ LYS A 13 -14.964 -11.846 -3.119 1.00 1.77 N ATOM 0 HA LYS A 13 -14.516 -5.976 -5.724 1.00 1.11 H new ATOM 0 HB2 LYS A 13 -13.597 -7.385 -3.746 1.00 1.17 H new ATOM 0 HB3 LYS A 13 -15.038 -6.438 -3.436 1.00 1.17 H new ATOM 0 HG2 LYS A 13 -16.332 -8.307 -3.105 1.00 1.20 H new ATOM 0 HG3 LYS A 13 -15.696 -9.105 -4.530 1.00 1.20 H new ATOM 0 HD2 LYS A 13 -13.650 -8.887 -2.418 1.00 1.27 H new ATOM 0 HD3 LYS A 13 -15.074 -9.729 -1.841 1.00 1.27 H new ATOM 0 HE2 LYS A 13 -14.194 -10.516 -4.590 1.00 1.67 H new ATOM 0 HE3 LYS A 13 -13.059 -10.921 -3.318 1.00 1.67 H new ATOM 0 HZ1 LYS A 13 -14.675 -12.694 -3.647 1.00 1.77 H new ATOM 0 HZ2 LYS A 13 -14.858 -12.021 -2.099 1.00 1.77 H new ATOM 0 HZ3 LYS A 13 -15.958 -11.628 -3.332 1.00 1.77 H new ATOM 157 N VAL A 14 -12.606 -7.586 -6.397 1.00 0.93 N ATOM 158 CA VAL A 14 -11.618 -8.438 -7.136 1.00 0.86 C ATOM 159 C VAL A 14 -10.660 -9.104 -6.136 1.00 0.85 C ATOM 160 O VAL A 14 -10.238 -8.495 -5.167 1.00 0.91 O ATOM 161 CB VAL A 14 -10.820 -7.569 -8.122 1.00 0.83 C ATOM 162 CG1 VAL A 14 -11.747 -7.072 -9.235 1.00 0.87 C ATOM 163 CG2 VAL A 14 -10.215 -6.362 -7.394 1.00 0.87 C ATOM 0 H VAL A 14 -12.219 -6.731 -5.999 1.00 0.93 H new ATOM 0 HA VAL A 14 -12.151 -9.210 -7.690 1.00 0.86 H new ATOM 0 HB VAL A 14 -10.017 -8.170 -8.550 1.00 0.83 H new ATOM 0 HG11 VAL A 14 -11.180 -6.456 -9.933 1.00 0.87 H new ATOM 0 HG12 VAL A 14 -12.170 -7.926 -9.765 1.00 0.87 H new ATOM 0 HG13 VAL A 14 -12.552 -6.480 -8.800 1.00 0.87 H new ATOM 0 HG21 VAL A 14 -9.652 -5.754 -8.103 1.00 0.87 H new ATOM 0 HG22 VAL A 14 -11.014 -5.763 -6.956 1.00 0.87 H new ATOM 0 HG23 VAL A 14 -9.548 -6.710 -6.605 1.00 0.87 H new ATOM 173 N THR A 15 -10.318 -10.352 -6.364 1.00 0.83 N ATOM 174 CA THR A 15 -9.391 -11.071 -5.429 1.00 0.84 C ATOM 175 C THR A 15 -7.965 -11.062 -6.002 1.00 0.74 C ATOM 176 O THR A 15 -7.755 -11.288 -7.182 1.00 0.72 O ATOM 177 CB THR A 15 -9.872 -12.518 -5.238 1.00 0.93 C ATOM 178 OG1 THR A 15 -11.232 -12.511 -4.821 1.00 1.07 O ATOM 179 CG2 THR A 15 -9.020 -13.211 -4.172 1.00 1.02 C ATOM 0 H THR A 15 -10.641 -10.904 -7.158 1.00 0.83 H new ATOM 0 HA THR A 15 -9.388 -10.565 -4.463 1.00 0.84 H new ATOM 0 HB THR A 15 -9.778 -13.056 -6.181 1.00 0.93 H new ATOM 0 HG1 THR A 15 -11.286 -12.217 -3.888 1.00 1.07 H new ATOM 0 HG21 THR A 15 -9.365 -14.237 -4.040 1.00 1.02 H new ATOM 0 HG22 THR A 15 -7.977 -13.217 -4.487 1.00 1.02 H new ATOM 0 HG23 THR A 15 -9.111 -12.674 -3.228 1.00 1.02 H new ATOM 187 N PHE A 16 -6.987 -10.797 -5.165 1.00 0.72 N ATOM 188 CA PHE A 16 -5.565 -10.756 -5.631 1.00 0.63 C ATOM 189 C PHE A 16 -4.752 -11.863 -4.941 1.00 0.66 C ATOM 190 O PHE A 16 -4.988 -12.196 -3.792 1.00 0.80 O ATOM 191 CB PHE A 16 -4.955 -9.396 -5.279 1.00 0.63 C ATOM 192 CG PHE A 16 -5.595 -8.309 -6.112 1.00 0.60 C ATOM 193 CD1 PHE A 16 -5.488 -8.339 -7.509 1.00 0.61 C ATOM 194 CD2 PHE A 16 -6.291 -7.267 -5.486 1.00 0.67 C ATOM 195 CE1 PHE A 16 -6.076 -7.328 -8.277 1.00 0.66 C ATOM 196 CE2 PHE A 16 -6.879 -6.258 -6.256 1.00 0.73 C ATOM 197 CZ PHE A 16 -6.771 -6.288 -7.651 1.00 0.70 C ATOM 0 H PHE A 16 -7.116 -10.606 -4.171 1.00 0.72 H new ATOM 0 HA PHE A 16 -5.540 -10.909 -6.710 1.00 0.63 H new ATOM 0 HB2 PHE A 16 -5.101 -9.186 -4.219 1.00 0.63 H new ATOM 0 HB3 PHE A 16 -3.879 -9.414 -5.455 1.00 0.63 H new ATOM 0 HD1 PHE A 16 -4.952 -9.142 -7.993 1.00 0.61 H new ATOM 0 HD2 PHE A 16 -6.374 -7.243 -4.409 1.00 0.67 H new ATOM 0 HE1 PHE A 16 -5.993 -7.351 -9.354 1.00 0.66 H new ATOM 0 HE2 PHE A 16 -7.417 -5.455 -5.774 1.00 0.73 H new ATOM 0 HZ PHE A 16 -7.224 -5.508 -8.244 1.00 0.70 H new ATOM 207 N LYS A 17 -3.788 -12.418 -5.636 1.00 0.60 N ATOM 208 CA LYS A 17 -2.935 -13.496 -5.044 1.00 0.64 C ATOM 209 C LYS A 17 -1.458 -13.114 -5.229 1.00 0.59 C ATOM 210 O LYS A 17 -0.935 -13.143 -6.331 1.00 0.62 O ATOM 211 CB LYS A 17 -3.230 -14.827 -5.750 1.00 0.68 C ATOM 212 CG LYS A 17 -2.815 -15.999 -4.853 1.00 0.80 C ATOM 213 CD LYS A 17 -1.799 -16.871 -5.593 1.00 1.27 C ATOM 214 CE LYS A 17 -1.491 -18.118 -4.760 1.00 1.90 C ATOM 215 NZ LYS A 17 -0.256 -18.771 -5.275 1.00 2.69 N ATOM 0 H LYS A 17 -3.554 -12.168 -6.597 1.00 0.60 H new ATOM 0 HA LYS A 17 -3.152 -13.607 -3.982 1.00 0.64 H new ATOM 0 HB2 LYS A 17 -4.292 -14.896 -5.985 1.00 0.68 H new ATOM 0 HB3 LYS A 17 -2.691 -14.874 -6.696 1.00 0.68 H new ATOM 0 HG2 LYS A 17 -2.382 -15.625 -3.925 1.00 0.80 H new ATOM 0 HG3 LYS A 17 -3.689 -16.591 -4.582 1.00 0.80 H new ATOM 0 HD2 LYS A 17 -2.194 -17.160 -6.567 1.00 1.27 H new ATOM 0 HD3 LYS A 17 -0.884 -16.307 -5.774 1.00 1.27 H new ATOM 0 HE2 LYS A 17 -1.360 -17.845 -3.713 1.00 1.90 H new ATOM 0 HE3 LYS A 17 -2.329 -18.814 -4.806 1.00 1.90 H new ATOM 0 HZ1 LYS A 17 0.094 -19.454 -4.573 1.00 2.69 H new ATOM 0 HZ2 LYS A 17 -0.470 -19.267 -6.164 1.00 2.69 H new ATOM 0 HZ3 LYS A 17 0.472 -18.049 -5.449 1.00 2.69 H new ATOM 229 N ILE A 18 -0.790 -12.733 -4.162 1.00 0.59 N ATOM 230 CA ILE A 18 0.646 -12.320 -4.273 1.00 0.57 C ATOM 231 C ILE A 18 1.550 -13.306 -3.520 1.00 0.60 C ATOM 232 O ILE A 18 1.298 -13.651 -2.381 1.00 0.70 O ATOM 233 CB ILE A 18 0.821 -10.916 -3.674 1.00 0.56 C ATOM 234 CG1 ILE A 18 -0.166 -9.943 -4.330 1.00 0.58 C ATOM 235 CG2 ILE A 18 2.250 -10.427 -3.923 1.00 0.61 C ATOM 236 CD1 ILE A 18 -1.311 -9.643 -3.360 1.00 0.71 C ATOM 0 H ILE A 18 -1.179 -12.691 -3.220 1.00 0.59 H new ATOM 0 HA ILE A 18 0.928 -12.315 -5.326 1.00 0.57 H new ATOM 0 HB ILE A 18 0.629 -10.960 -2.602 1.00 0.56 H new ATOM 0 HG12 ILE A 18 0.345 -9.019 -4.603 1.00 0.58 H new ATOM 0 HG13 ILE A 18 -0.559 -10.374 -5.251 1.00 0.58 H new ATOM 0 HG21 ILE A 18 2.373 -9.431 -3.498 1.00 0.61 H new ATOM 0 HG22 ILE A 18 2.956 -11.112 -3.453 1.00 0.61 H new ATOM 0 HG23 ILE A 18 2.440 -10.389 -4.996 1.00 0.61 H new ATOM 0 HD11 ILE A 18 -2.012 -8.951 -3.827 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -1.828 -10.569 -3.110 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -0.910 -9.194 -2.451 1.00 0.71 H new ATOM 248 N THR A 19 2.615 -13.737 -4.154 1.00 0.59 N ATOM 249 CA THR A 19 3.576 -14.684 -3.500 1.00 0.65 C ATOM 250 C THR A 19 4.987 -14.083 -3.560 1.00 0.65 C ATOM 251 O THR A 19 5.284 -13.270 -4.418 1.00 0.73 O ATOM 252 CB THR A 19 3.565 -16.035 -4.230 1.00 0.69 C ATOM 253 OG1 THR A 19 3.571 -15.825 -5.637 1.00 0.86 O ATOM 254 CG2 THR A 19 2.317 -16.825 -3.835 1.00 0.77 C ATOM 0 H THR A 19 2.862 -13.470 -5.107 1.00 0.59 H new ATOM 0 HA THR A 19 3.280 -14.840 -2.463 1.00 0.65 H new ATOM 0 HB THR A 19 4.454 -16.599 -3.948 1.00 0.69 H new ATOM 0 HG1 THR A 19 3.566 -16.690 -6.097 1.00 0.86 H new ATOM 0 HG21 THR A 19 2.313 -17.783 -4.355 1.00 0.77 H new ATOM 0 HG22 THR A 19 2.321 -16.997 -2.759 1.00 0.77 H new ATOM 0 HG23 THR A 19 1.426 -16.259 -4.109 1.00 0.77 H new ATOM 407 N LYS A 29 -0.670 -14.595 -0.671 1.00 0.87 N ATOM 408 CA LYS A 29 -1.444 -13.539 0.042 1.00 0.88 C ATOM 409 C LYS A 29 -2.755 -13.291 -0.711 1.00 0.86 C ATOM 410 O LYS A 29 -2.750 -12.905 -1.867 1.00 0.83 O ATOM 411 CB LYS A 29 -0.618 -12.247 0.085 1.00 0.89 C ATOM 412 CG LYS A 29 -0.775 -11.576 1.453 1.00 1.02 C ATOM 413 CD LYS A 29 -2.041 -10.715 1.459 1.00 1.05 C ATOM 414 CE LYS A 29 -2.255 -10.129 2.857 1.00 1.16 C ATOM 415 NZ LYS A 29 -3.665 -9.668 2.995 1.00 1.42 N ATOM 0 HA LYS A 29 -1.662 -13.859 1.061 1.00 0.88 H new ATOM 0 HB2 LYS A 29 0.432 -12.470 -0.103 1.00 0.89 H new ATOM 0 HB3 LYS A 29 -0.946 -11.569 -0.703 1.00 0.89 H new ATOM 0 HG2 LYS A 29 -0.833 -12.332 2.236 1.00 1.02 H new ATOM 0 HG3 LYS A 29 0.098 -10.960 1.670 1.00 1.02 H new ATOM 0 HD2 LYS A 29 -1.951 -9.913 0.727 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -2.903 -11.316 1.169 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -2.031 -10.880 3.615 1.00 1.16 H new ATOM 0 HE3 LYS A 29 -1.572 -9.296 3.022 1.00 1.16 H new ATOM 0 HZ1 LYS A 29 -3.856 -9.428 3.989 1.00 1.42 H new ATOM 0 HZ2 LYS A 29 -3.815 -8.827 2.401 1.00 1.42 H new ATOM 0 HZ3 LYS A 29 -4.309 -10.426 2.691 1.00 1.42 H new ATOM 429 N VAL A 30 -3.874 -13.513 -0.066 1.00 0.91 N ATOM 430 CA VAL A 30 -5.190 -13.298 -0.741 1.00 0.92 C ATOM 431 C VAL A 30 -5.742 -11.924 -0.344 1.00 0.91 C ATOM 432 O VAL A 30 -6.001 -11.660 0.818 1.00 1.00 O ATOM 433 CB VAL A 30 -6.172 -14.401 -0.320 1.00 1.03 C ATOM 434 CG1 VAL A 30 -7.498 -14.229 -1.068 1.00 1.07 C ATOM 435 CG2 VAL A 30 -5.576 -15.773 -0.657 1.00 1.08 C ATOM 0 H VAL A 30 -3.932 -13.834 0.900 1.00 0.91 H new ATOM 0 HA VAL A 30 -5.059 -13.335 -1.822 1.00 0.92 H new ATOM 0 HB VAL A 30 -6.350 -14.331 0.753 1.00 1.03 H new ATOM 0 HG11 VAL A 30 -8.191 -15.014 -0.766 1.00 1.07 H new ATOM 0 HG12 VAL A 30 -7.926 -13.255 -0.830 1.00 1.07 H new ATOM 0 HG13 VAL A 30 -7.321 -14.295 -2.142 1.00 1.07 H new ATOM 0 HG21 VAL A 30 -6.273 -16.556 -0.358 1.00 1.08 H new ATOM 0 HG22 VAL A 30 -5.396 -15.838 -1.730 1.00 1.08 H new ATOM 0 HG23 VAL A 30 -4.635 -15.902 -0.123 1.00 1.08 H new ATOM 445 N LEU A 31 -5.912 -11.047 -1.307 1.00 0.84 N ATOM 446 CA LEU A 31 -6.436 -9.680 -1.008 1.00 0.84 C ATOM 447 C LEU A 31 -7.779 -9.475 -1.719 1.00 0.85 C ATOM 448 O LEU A 31 -7.834 -9.275 -2.920 1.00 0.83 O ATOM 449 CB LEU A 31 -5.425 -8.634 -1.493 1.00 0.78 C ATOM 450 CG LEU A 31 -4.789 -7.940 -0.287 1.00 0.95 C ATOM 451 CD1 LEU A 31 -3.295 -7.736 -0.542 1.00 0.96 C ATOM 452 CD2 LEU A 31 -5.462 -6.582 -0.066 1.00 1.20 C ATOM 0 H LEU A 31 -5.708 -11.223 -2.291 1.00 0.84 H new ATOM 0 HA LEU A 31 -6.583 -9.571 0.067 1.00 0.84 H new ATOM 0 HB2 LEU A 31 -4.655 -9.111 -2.099 1.00 0.78 H new ATOM 0 HB3 LEU A 31 -5.921 -7.900 -2.128 1.00 0.78 H new ATOM 0 HG LEU A 31 -4.922 -8.560 0.600 1.00 0.95 H new ATOM 0 HD11 LEU A 31 -2.843 -7.241 0.318 1.00 0.96 H new ATOM 0 HD12 LEU A 31 -2.817 -8.703 -0.697 1.00 0.96 H new ATOM 0 HD13 LEU A 31 -3.158 -7.118 -1.429 1.00 0.96 H new ATOM 0 HD21 LEU A 31 -5.009 -6.087 0.793 1.00 1.20 H new ATOM 0 HD22 LEU A 31 -5.330 -5.962 -0.953 1.00 1.20 H new ATOM 0 HD23 LEU A 31 -6.526 -6.729 0.119 1.00 1.20 H new ATOM 464 N SER A 32 -8.863 -9.524 -0.980 1.00 0.91 N ATOM 465 CA SER A 32 -10.212 -9.332 -1.595 1.00 0.94 C ATOM 466 C SER A 32 -10.683 -7.893 -1.347 1.00 0.96 C ATOM 467 O SER A 32 -11.144 -7.555 -0.271 1.00 1.04 O ATOM 468 CB SER A 32 -11.206 -10.318 -0.975 1.00 1.05 C ATOM 469 OG SER A 32 -11.217 -11.518 -1.739 1.00 1.05 O ATOM 0 H SER A 32 -8.869 -9.689 0.026 1.00 0.91 H new ATOM 0 HA SER A 32 -10.153 -9.514 -2.668 1.00 0.94 H new ATOM 0 HB2 SER A 32 -10.927 -10.533 0.057 1.00 1.05 H new ATOM 0 HB3 SER A 32 -12.204 -9.880 -0.951 1.00 1.05 H new ATOM 0 HG SER A 32 -11.851 -12.152 -1.344 1.00 1.05 H new ATOM 475 N VAL A 33 -10.564 -7.047 -2.343 1.00 0.90 N ATOM 476 CA VAL A 33 -10.999 -5.621 -2.194 1.00 0.94 C ATOM 477 C VAL A 33 -11.790 -5.196 -3.439 1.00 0.94 C ATOM 478 O VAL A 33 -11.645 -5.789 -4.493 1.00 0.90 O ATOM 479 CB VAL A 33 -9.769 -4.713 -2.034 1.00 0.89 C ATOM 480 CG1 VAL A 33 -9.128 -4.949 -0.664 1.00 0.98 C ATOM 481 CG2 VAL A 33 -8.744 -5.018 -3.134 1.00 0.83 C ATOM 0 H VAL A 33 -10.182 -7.285 -3.258 1.00 0.90 H new ATOM 0 HA VAL A 33 -11.630 -5.529 -1.310 1.00 0.94 H new ATOM 0 HB VAL A 33 -10.085 -3.673 -2.115 1.00 0.89 H new ATOM 0 HG11 VAL A 33 -8.256 -4.304 -0.554 1.00 0.98 H new ATOM 0 HG12 VAL A 33 -9.850 -4.720 0.120 1.00 0.98 H new ATOM 0 HG13 VAL A 33 -8.820 -5.991 -0.581 1.00 0.98 H new ATOM 0 HG21 VAL A 33 -7.876 -4.370 -3.012 1.00 0.83 H new ATOM 0 HG22 VAL A 33 -8.432 -6.060 -3.062 1.00 0.83 H new ATOM 0 HG23 VAL A 33 -9.195 -4.841 -4.111 1.00 0.83 H new ATOM 491 N PRO A 34 -12.602 -4.173 -3.285 1.00 1.01 N ATOM 492 CA PRO A 34 -13.428 -3.641 -4.386 1.00 1.05 C ATOM 493 C PRO A 34 -12.563 -2.853 -5.381 1.00 0.98 C ATOM 494 O PRO A 34 -11.468 -2.423 -5.063 1.00 0.92 O ATOM 495 CB PRO A 34 -14.436 -2.730 -3.677 1.00 1.16 C ATOM 496 CG PRO A 34 -13.801 -2.354 -2.318 1.00 1.16 C ATOM 497 CD PRO A 34 -12.765 -3.449 -2.004 1.00 1.08 C ATOM 0 HA PRO A 34 -13.914 -4.421 -4.972 1.00 1.05 H new ATOM 0 HB2 PRO A 34 -14.639 -1.839 -4.271 1.00 1.16 H new ATOM 0 HB3 PRO A 34 -15.388 -3.241 -3.533 1.00 1.16 H new ATOM 0 HG2 PRO A 34 -13.327 -1.374 -2.369 1.00 1.16 H new ATOM 0 HG3 PRO A 34 -14.559 -2.301 -1.537 1.00 1.16 H new ATOM 0 HD2 PRO A 34 -11.822 -3.020 -1.666 1.00 1.08 H new ATOM 0 HD3 PRO A 34 -13.114 -4.113 -1.213 1.00 1.08 H new ATOM 505 N GLU A 35 -13.054 -2.669 -6.586 1.00 1.00 N ATOM 506 CA GLU A 35 -12.279 -1.915 -7.626 1.00 0.97 C ATOM 507 C GLU A 35 -11.941 -0.500 -7.126 1.00 0.99 C ATOM 508 O GLU A 35 -10.966 0.092 -7.554 1.00 0.97 O ATOM 509 CB GLU A 35 -13.097 -1.826 -8.924 1.00 1.04 C ATOM 510 CG GLU A 35 -14.472 -1.202 -8.647 1.00 1.19 C ATOM 511 CD GLU A 35 -15.557 -2.282 -8.727 1.00 1.27 C ATOM 512 OE1 GLU A 35 -16.057 -2.515 -9.816 1.00 1.32 O ATOM 513 OE2 GLU A 35 -15.873 -2.857 -7.696 1.00 1.42 O ATOM 0 H GLU A 35 -13.964 -3.011 -6.895 1.00 1.00 H new ATOM 0 HA GLU A 35 -11.349 -2.448 -7.821 1.00 0.97 H new ATOM 0 HB2 GLU A 35 -12.560 -1.227 -9.660 1.00 1.04 H new ATOM 0 HB3 GLU A 35 -13.221 -2.821 -9.352 1.00 1.04 H new ATOM 0 HG2 GLU A 35 -14.479 -0.738 -7.661 1.00 1.19 H new ATOM 0 HG3 GLU A 35 -14.676 -0.414 -9.371 1.00 1.19 H new ATOM 520 N SER A 36 -12.732 0.040 -6.221 1.00 1.04 N ATOM 521 CA SER A 36 -12.456 1.411 -5.684 1.00 1.07 C ATOM 522 C SER A 36 -11.083 1.430 -4.999 1.00 0.98 C ATOM 523 O SER A 36 -10.326 2.374 -5.147 1.00 1.00 O ATOM 524 CB SER A 36 -13.539 1.793 -4.672 1.00 1.17 C ATOM 525 OG SER A 36 -14.143 3.017 -5.067 1.00 1.48 O ATOM 0 H SER A 36 -13.558 -0.414 -5.832 1.00 1.04 H new ATOM 0 HA SER A 36 -12.459 2.127 -6.506 1.00 1.07 H new ATOM 0 HB2 SER A 36 -14.291 1.006 -4.613 1.00 1.17 H new ATOM 0 HB3 SER A 36 -13.104 1.894 -3.678 1.00 1.17 H new ATOM 0 HG SER A 36 -14.838 3.262 -4.421 1.00 1.48 H new ATOM 531 N THR A 37 -10.756 0.393 -4.258 1.00 0.94 N ATOM 532 CA THR A 37 -9.430 0.336 -3.566 1.00 0.86 C ATOM 533 C THR A 37 -8.312 0.296 -4.622 1.00 0.79 C ATOM 534 O THR A 37 -8.335 -0.536 -5.509 1.00 0.79 O ATOM 535 CB THR A 37 -9.361 -0.924 -2.689 1.00 0.88 C ATOM 536 OG1 THR A 37 -10.360 -0.852 -1.680 1.00 0.97 O ATOM 537 CG2 THR A 37 -7.982 -1.031 -2.030 1.00 0.85 C ATOM 0 H THR A 37 -11.355 -0.418 -4.104 1.00 0.94 H new ATOM 0 HA THR A 37 -9.305 1.217 -2.936 1.00 0.86 H new ATOM 0 HB THR A 37 -9.528 -1.802 -3.313 1.00 0.88 H new ATOM 0 HG1 THR A 37 -10.219 -1.570 -1.028 1.00 0.97 H new ATOM 0 HG21 THR A 37 -7.943 -1.927 -1.411 1.00 0.85 H new ATOM 0 HG22 THR A 37 -7.214 -1.089 -2.801 1.00 0.85 H new ATOM 0 HG23 THR A 37 -7.806 -0.153 -1.409 1.00 0.85 H new ATOM 545 N PRO A 38 -7.369 1.207 -4.497 1.00 0.75 N ATOM 546 CA PRO A 38 -6.230 1.312 -5.433 1.00 0.71 C ATOM 547 C PRO A 38 -5.171 0.236 -5.142 1.00 0.63 C ATOM 548 O PRO A 38 -5.154 -0.369 -4.080 1.00 0.63 O ATOM 549 CB PRO A 38 -5.673 2.713 -5.165 1.00 0.73 C ATOM 550 CG PRO A 38 -6.136 3.101 -3.740 1.00 0.76 C ATOM 551 CD PRO A 38 -7.350 2.213 -3.414 1.00 0.79 C ATOM 0 HA PRO A 38 -6.524 1.162 -6.472 1.00 0.71 H new ATOM 0 HB2 PRO A 38 -4.585 2.719 -5.235 1.00 0.73 H new ATOM 0 HB3 PRO A 38 -6.044 3.426 -5.902 1.00 0.73 H new ATOM 0 HG2 PRO A 38 -5.336 2.944 -3.017 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -6.405 4.156 -3.694 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -7.247 1.743 -2.436 1.00 0.79 H new ATOM 0 HD3 PRO A 38 -8.273 2.793 -3.394 1.00 0.79 H new ATOM 559 N PHE A 39 -4.280 0.004 -6.081 1.00 0.59 N ATOM 560 CA PHE A 39 -3.211 -1.020 -5.874 1.00 0.52 C ATOM 561 C PHE A 39 -2.263 -0.570 -4.750 1.00 0.51 C ATOM 562 O PHE A 39 -1.554 -1.378 -4.180 1.00 0.52 O ATOM 563 CB PHE A 39 -2.428 -1.221 -7.177 1.00 0.51 C ATOM 564 CG PHE A 39 -1.891 -2.635 -7.237 1.00 0.48 C ATOM 565 CD1 PHE A 39 -2.745 -3.723 -7.004 1.00 0.53 C ATOM 566 CD2 PHE A 39 -0.541 -2.856 -7.528 1.00 0.59 C ATOM 567 CE1 PHE A 39 -2.246 -5.029 -7.061 1.00 0.56 C ATOM 568 CE2 PHE A 39 -0.043 -4.163 -7.585 1.00 0.66 C ATOM 569 CZ PHE A 39 -0.895 -5.250 -7.352 1.00 0.60 C ATOM 0 H PHE A 39 -4.250 0.482 -6.981 1.00 0.59 H new ATOM 0 HA PHE A 39 -3.671 -1.965 -5.587 1.00 0.52 H new ATOM 0 HB2 PHE A 39 -3.074 -1.031 -8.034 1.00 0.51 H new ATOM 0 HB3 PHE A 39 -1.606 -0.507 -7.233 1.00 0.51 H new ATOM 0 HD1 PHE A 39 -3.788 -3.553 -6.781 1.00 0.53 H new ATOM 0 HD2 PHE A 39 0.117 -2.019 -7.709 1.00 0.59 H new ATOM 0 HE1 PHE A 39 -2.903 -5.867 -6.880 1.00 0.56 H new ATOM 0 HE2 PHE A 39 1.000 -4.333 -7.809 1.00 0.66 H new ATOM 0 HZ PHE A 39 -0.510 -6.258 -7.397 1.00 0.60 H new ATOM 579 N THR A 40 -2.261 0.706 -4.411 1.00 0.53 N ATOM 580 CA THR A 40 -1.380 1.199 -3.302 1.00 0.55 C ATOM 581 C THR A 40 -1.787 0.490 -2.006 1.00 0.56 C ATOM 582 O THR A 40 -0.952 -0.013 -1.275 1.00 0.57 O ATOM 583 CB THR A 40 -1.543 2.719 -3.114 1.00 0.62 C ATOM 584 OG1 THR A 40 -2.788 3.153 -3.654 1.00 1.03 O ATOM 585 CG2 THR A 40 -0.401 3.450 -3.819 1.00 0.85 C ATOM 0 H THR A 40 -2.833 1.423 -4.857 1.00 0.53 H new ATOM 0 HA THR A 40 -0.340 0.987 -3.550 1.00 0.55 H new ATOM 0 HB THR A 40 -1.520 2.945 -2.048 1.00 0.62 H new ATOM 0 HG1 THR A 40 -2.880 4.120 -3.527 1.00 1.03 H new ATOM 0 HG21 THR A 40 -0.519 4.525 -3.684 1.00 0.85 H new ATOM 0 HG22 THR A 40 0.551 3.133 -3.393 1.00 0.85 H new ATOM 0 HG23 THR A 40 -0.420 3.214 -4.883 1.00 0.85 H new ATOM 593 N ALA A 41 -3.073 0.437 -1.732 1.00 0.60 N ATOM 594 CA ALA A 41 -3.563 -0.249 -0.499 1.00 0.65 C ATOM 595 C ALA A 41 -3.381 -1.764 -0.658 1.00 0.63 C ATOM 596 O ALA A 41 -3.011 -2.447 0.279 1.00 0.67 O ATOM 597 CB ALA A 41 -5.046 0.073 -0.289 1.00 0.75 C ATOM 0 H ALA A 41 -3.804 0.843 -2.316 1.00 0.60 H new ATOM 0 HA ALA A 41 -2.995 0.098 0.364 1.00 0.65 H new ATOM 0 HB1 ALA A 41 -5.403 -0.428 0.611 1.00 0.75 H new ATOM 0 HB2 ALA A 41 -5.172 1.150 -0.179 1.00 0.75 H new ATOM 0 HB3 ALA A 41 -5.619 -0.274 -1.149 1.00 0.75 H new ATOM 603 N VAL A 42 -3.634 -2.290 -1.841 1.00 0.60 N ATOM 604 CA VAL A 42 -3.469 -3.762 -2.070 1.00 0.59 C ATOM 605 C VAL A 42 -2.010 -4.160 -1.790 1.00 0.55 C ATOM 606 O VAL A 42 -1.747 -5.096 -1.059 1.00 0.60 O ATOM 607 CB VAL A 42 -3.831 -4.104 -3.524 1.00 0.58 C ATOM 608 CG1 VAL A 42 -3.566 -5.590 -3.787 1.00 0.60 C ATOM 609 CG2 VAL A 42 -5.315 -3.805 -3.769 1.00 0.67 C ATOM 0 H VAL A 42 -3.947 -1.760 -2.654 1.00 0.60 H new ATOM 0 HA VAL A 42 -4.130 -4.311 -1.400 1.00 0.59 H new ATOM 0 HB VAL A 42 -3.220 -3.501 -4.195 1.00 0.58 H new ATOM 0 HG11 VAL A 42 -3.824 -5.829 -4.819 1.00 0.60 H new ATOM 0 HG12 VAL A 42 -2.511 -5.807 -3.617 1.00 0.60 H new ATOM 0 HG13 VAL A 42 -4.174 -6.193 -3.112 1.00 0.60 H new ATOM 0 HG21 VAL A 42 -5.570 -4.048 -4.801 1.00 0.67 H new ATOM 0 HG22 VAL A 42 -5.924 -4.406 -3.094 1.00 0.67 H new ATOM 0 HG23 VAL A 42 -5.508 -2.748 -3.587 1.00 0.67 H new ATOM 619 N LEU A 43 -1.066 -3.441 -2.360 1.00 0.51 N ATOM 620 CA LEU A 43 0.382 -3.752 -2.130 1.00 0.50 C ATOM 621 C LEU A 43 0.705 -3.592 -0.635 1.00 0.53 C ATOM 622 O LEU A 43 1.516 -4.317 -0.091 1.00 0.57 O ATOM 623 CB LEU A 43 1.245 -2.790 -2.967 1.00 0.50 C ATOM 624 CG LEU A 43 2.679 -2.728 -2.418 1.00 0.52 C ATOM 625 CD1 LEU A 43 3.369 -4.083 -2.599 1.00 0.62 C ATOM 626 CD2 LEU A 43 3.467 -1.655 -3.174 1.00 0.62 C ATOM 0 H LEU A 43 -1.240 -2.648 -2.978 1.00 0.51 H new ATOM 0 HA LEU A 43 0.596 -4.777 -2.431 1.00 0.50 H new ATOM 0 HB2 LEU A 43 1.262 -3.120 -4.006 1.00 0.50 H new ATOM 0 HB3 LEU A 43 0.803 -1.794 -2.956 1.00 0.50 H new ATOM 0 HG LEU A 43 2.644 -2.482 -1.357 1.00 0.52 H new ATOM 0 HD11 LEU A 43 4.385 -4.029 -2.207 1.00 0.62 H new ATOM 0 HD12 LEU A 43 2.812 -4.850 -2.060 1.00 0.62 H new ATOM 0 HD13 LEU A 43 3.402 -4.336 -3.659 1.00 0.62 H new ATOM 0 HD21 LEU A 43 4.485 -1.610 -2.786 1.00 0.62 H new ATOM 0 HD22 LEU A 43 3.494 -1.903 -4.235 1.00 0.62 H new ATOM 0 HD23 LEU A 43 2.984 -0.687 -3.040 1.00 0.62 H new ATOM 638 N LYS A 44 0.070 -2.651 0.027 1.00 0.56 N ATOM 639 CA LYS A 44 0.324 -2.437 1.486 1.00 0.61 C ATOM 640 C LYS A 44 -0.076 -3.695 2.266 1.00 0.66 C ATOM 641 O LYS A 44 0.713 -4.241 3.016 1.00 0.70 O ATOM 642 CB LYS A 44 -0.512 -1.248 1.975 1.00 0.68 C ATOM 643 CG LYS A 44 0.397 -0.044 2.242 1.00 0.99 C ATOM 644 CD LYS A 44 -0.225 0.830 3.337 1.00 1.59 C ATOM 645 CE LYS A 44 0.735 0.936 4.527 1.00 2.58 C ATOM 646 NZ LYS A 44 1.396 2.279 4.529 1.00 3.38 N ATOM 0 H LYS A 44 -0.617 -2.020 -0.385 1.00 0.56 H new ATOM 0 HA LYS A 44 1.383 -2.233 1.646 1.00 0.61 H new ATOM 0 HB2 LYS A 44 -1.263 -0.989 1.228 1.00 0.68 H new ATOM 0 HB3 LYS A 44 -1.048 -1.519 2.885 1.00 0.68 H new ATOM 0 HG2 LYS A 44 1.386 -0.382 2.550 1.00 0.99 H new ATOM 0 HG3 LYS A 44 0.528 0.536 1.329 1.00 0.99 H new ATOM 0 HD2 LYS A 44 -0.441 1.823 2.943 1.00 1.59 H new ATOM 0 HD3 LYS A 44 -1.174 0.402 3.661 1.00 1.59 H new ATOM 0 HE2 LYS A 44 0.190 0.788 5.459 1.00 2.58 H new ATOM 0 HE3 LYS A 44 1.488 0.150 4.469 1.00 2.58 H new ATOM 0 HZ1 LYS A 44 2.046 2.345 5.338 1.00 3.38 H new ATOM 0 HZ2 LYS A 44 1.930 2.405 3.645 1.00 3.38 H new ATOM 0 HZ3 LYS A 44 0.672 3.022 4.605 1.00 3.38 H new ATOM 660 N PHE A 45 -1.296 -4.157 2.092 1.00 0.68 N ATOM 661 CA PHE A 45 -1.763 -5.382 2.819 1.00 0.74 C ATOM 662 C PHE A 45 -0.855 -6.572 2.476 1.00 0.73 C ATOM 663 O PHE A 45 -0.496 -7.349 3.342 1.00 0.78 O ATOM 664 CB PHE A 45 -3.208 -5.698 2.413 1.00 0.79 C ATOM 665 CG PHE A 45 -4.158 -4.836 3.215 1.00 0.86 C ATOM 666 CD1 PHE A 45 -4.401 -5.127 4.563 1.00 1.17 C ATOM 667 CD2 PHE A 45 -4.794 -3.745 2.610 1.00 1.18 C ATOM 668 CE1 PHE A 45 -5.280 -4.327 5.305 1.00 1.40 C ATOM 669 CE2 PHE A 45 -5.671 -2.945 3.353 1.00 1.40 C ATOM 670 CZ PHE A 45 -5.914 -3.237 4.699 1.00 1.37 C ATOM 0 H PHE A 45 -1.990 -3.735 1.475 1.00 0.68 H new ATOM 0 HA PHE A 45 -1.720 -5.201 3.893 1.00 0.74 H new ATOM 0 HB2 PHE A 45 -3.346 -5.515 1.347 1.00 0.79 H new ATOM 0 HB3 PHE A 45 -3.423 -6.753 2.586 1.00 0.79 H new ATOM 0 HD1 PHE A 45 -3.911 -5.968 5.031 1.00 1.17 H new ATOM 0 HD2 PHE A 45 -4.608 -3.520 1.570 1.00 1.18 H new ATOM 0 HE1 PHE A 45 -5.468 -4.552 6.344 1.00 1.40 H new ATOM 0 HE2 PHE A 45 -6.160 -2.102 2.887 1.00 1.40 H new ATOM 0 HZ PHE A 45 -6.592 -2.621 5.271 1.00 1.37 H new ATOM 680 N ALA A 46 -0.474 -6.711 1.223 1.00 0.68 N ATOM 681 CA ALA A 46 0.421 -7.842 0.821 1.00 0.69 C ATOM 682 C ALA A 46 1.781 -7.681 1.510 1.00 0.68 C ATOM 683 O ALA A 46 2.290 -8.610 2.109 1.00 0.73 O ATOM 684 CB ALA A 46 0.611 -7.833 -0.700 1.00 0.67 C ATOM 0 H ALA A 46 -0.747 -6.087 0.463 1.00 0.68 H new ATOM 0 HA ALA A 46 -0.030 -8.788 1.121 1.00 0.69 H new ATOM 0 HB1 ALA A 46 1.263 -8.657 -0.990 1.00 0.67 H new ATOM 0 HB2 ALA A 46 -0.357 -7.947 -1.188 1.00 0.67 H new ATOM 0 HB3 ALA A 46 1.062 -6.889 -1.005 1.00 0.67 H new ATOM 690 N ALA A 47 2.362 -6.501 1.436 1.00 0.66 N ATOM 691 CA ALA A 47 3.687 -6.254 2.090 1.00 0.68 C ATOM 692 C ALA A 47 3.574 -6.498 3.601 1.00 0.73 C ATOM 693 O ALA A 47 4.516 -6.945 4.229 1.00 0.79 O ATOM 694 CB ALA A 47 4.124 -4.806 1.840 1.00 0.69 C ATOM 0 H ALA A 47 1.970 -5.696 0.947 1.00 0.66 H new ATOM 0 HA ALA A 47 4.426 -6.935 1.668 1.00 0.68 H new ATOM 0 HB1 ALA A 47 5.088 -4.629 2.317 1.00 0.69 H new ATOM 0 HB2 ALA A 47 4.213 -4.633 0.768 1.00 0.69 H new ATOM 0 HB3 ALA A 47 3.382 -4.125 2.258 1.00 0.69 H new ATOM 700 N GLU A 48 2.426 -6.216 4.183 1.00 0.74 N ATOM 701 CA GLU A 48 2.239 -6.438 5.653 1.00 0.80 C ATOM 702 C GLU A 48 2.445 -7.926 5.970 1.00 0.87 C ATOM 703 O GLU A 48 3.117 -8.276 6.923 1.00 0.94 O ATOM 704 CB GLU A 48 0.820 -6.019 6.060 1.00 0.82 C ATOM 705 CG GLU A 48 0.881 -4.751 6.919 1.00 0.85 C ATOM 706 CD GLU A 48 0.254 -3.578 6.156 1.00 0.81 C ATOM 707 OE1 GLU A 48 -0.957 -3.441 6.210 1.00 1.24 O ATOM 708 OE2 GLU A 48 0.997 -2.836 5.533 1.00 1.09 O ATOM 0 H GLU A 48 1.610 -5.841 3.699 1.00 0.74 H new ATOM 0 HA GLU A 48 2.964 -5.842 6.207 1.00 0.80 H new ATOM 0 HB2 GLU A 48 0.215 -5.839 5.171 1.00 0.82 H new ATOM 0 HB3 GLU A 48 0.338 -6.823 6.616 1.00 0.82 H new ATOM 0 HG2 GLU A 48 0.351 -4.911 7.858 1.00 0.85 H new ATOM 0 HG3 GLU A 48 1.916 -4.521 7.172 1.00 0.85 H new ATOM 715 N GLU A 49 1.881 -8.800 5.165 1.00 0.87 N ATOM 716 CA GLU A 49 2.044 -10.270 5.394 1.00 0.94 C ATOM 717 C GLU A 49 3.493 -10.675 5.083 1.00 0.93 C ATOM 718 O GLU A 49 4.081 -11.483 5.779 1.00 1.02 O ATOM 719 CB GLU A 49 1.088 -11.039 4.470 1.00 0.94 C ATOM 720 CG GLU A 49 1.236 -12.549 4.700 1.00 1.05 C ATOM 721 CD GLU A 49 1.874 -13.204 3.466 1.00 1.04 C ATOM 722 OE1 GLU A 49 3.088 -13.149 3.347 1.00 1.26 O ATOM 723 OE2 GLU A 49 1.138 -13.755 2.664 1.00 1.15 O ATOM 0 H GLU A 49 1.312 -8.554 4.355 1.00 0.87 H new ATOM 0 HA GLU A 49 1.814 -10.507 6.433 1.00 0.94 H new ATOM 0 HB2 GLU A 49 0.060 -10.733 4.661 1.00 0.94 H new ATOM 0 HB3 GLU A 49 1.304 -10.799 3.429 1.00 0.94 H new ATOM 0 HG2 GLU A 49 1.852 -12.733 5.580 1.00 1.05 H new ATOM 0 HG3 GLU A 49 0.260 -12.994 4.895 1.00 1.05 H new ATOM 730 N PHE A 50 4.066 -10.115 4.039 1.00 0.85 N ATOM 731 CA PHE A 50 5.475 -10.455 3.660 1.00 0.87 C ATOM 732 C PHE A 50 6.476 -9.819 4.643 1.00 0.92 C ATOM 733 O PHE A 50 7.652 -10.137 4.619 1.00 0.98 O ATOM 734 CB PHE A 50 5.755 -9.932 2.249 1.00 0.78 C ATOM 735 CG PHE A 50 5.063 -10.813 1.233 1.00 0.71 C ATOM 736 CD1 PHE A 50 5.428 -12.159 1.100 1.00 0.73 C ATOM 737 CD2 PHE A 50 4.052 -10.282 0.423 1.00 0.76 C ATOM 738 CE1 PHE A 50 4.783 -12.971 0.159 1.00 0.73 C ATOM 739 CE2 PHE A 50 3.408 -11.093 -0.517 1.00 0.74 C ATOM 740 CZ PHE A 50 3.773 -12.438 -0.649 1.00 0.70 C ATOM 0 H PHE A 50 3.613 -9.433 3.431 1.00 0.85 H new ATOM 0 HA PHE A 50 5.594 -11.538 3.694 1.00 0.87 H new ATOM 0 HB2 PHE A 50 5.402 -8.905 2.155 1.00 0.78 H new ATOM 0 HB3 PHE A 50 6.829 -9.919 2.062 1.00 0.78 H new ATOM 0 HD1 PHE A 50 6.208 -12.571 1.724 1.00 0.73 H new ATOM 0 HD2 PHE A 50 3.769 -9.245 0.524 1.00 0.76 H new ATOM 0 HE1 PHE A 50 5.065 -14.008 0.057 1.00 0.73 H new ATOM 0 HE2 PHE A 50 2.629 -10.681 -1.141 1.00 0.74 H new ATOM 0 HZ PHE A 50 3.275 -13.064 -1.375 1.00 0.70 H new ATOM 750 N LYS A 51 6.022 -8.925 5.498 1.00 0.91 N ATOM 751 CA LYS A 51 6.936 -8.259 6.485 1.00 0.97 C ATOM 752 C LYS A 51 7.941 -7.355 5.745 1.00 0.92 C ATOM 753 O LYS A 51 9.109 -7.289 6.089 1.00 0.99 O ATOM 754 CB LYS A 51 7.676 -9.330 7.306 1.00 1.07 C ATOM 755 CG LYS A 51 7.301 -9.197 8.786 1.00 1.13 C ATOM 756 CD LYS A 51 6.736 -10.527 9.300 1.00 1.84 C ATOM 757 CE LYS A 51 6.601 -10.464 10.825 1.00 2.49 C ATOM 758 NZ LYS A 51 6.281 -11.819 11.360 1.00 3.00 N ATOM 0 H LYS A 51 5.048 -8.627 5.553 1.00 0.91 H new ATOM 0 HA LYS A 51 6.349 -7.639 7.162 1.00 0.97 H new ATOM 0 HB2 LYS A 51 7.416 -10.324 6.943 1.00 1.07 H new ATOM 0 HB3 LYS A 51 8.753 -9.217 7.182 1.00 1.07 H new ATOM 0 HG2 LYS A 51 8.178 -8.914 9.369 1.00 1.13 H new ATOM 0 HG3 LYS A 51 6.564 -8.404 8.914 1.00 1.13 H new ATOM 0 HD2 LYS A 51 5.765 -10.723 8.845 1.00 1.84 H new ATOM 0 HD3 LYS A 51 7.393 -11.349 9.015 1.00 1.84 H new ATOM 0 HE2 LYS A 51 7.528 -10.098 11.267 1.00 2.49 H new ATOM 0 HE3 LYS A 51 5.817 -9.759 11.101 1.00 2.49 H new ATOM 0 HZ1 LYS A 51 6.190 -11.771 12.395 1.00 3.00 H new ATOM 0 HZ2 LYS A 51 5.385 -12.152 10.949 1.00 3.00 H new ATOM 0 HZ3 LYS A 51 7.044 -12.480 11.110 1.00 3.00 H new ATOM 772 N VAL A 52 7.483 -6.651 4.732 1.00 0.84 N ATOM 773 CA VAL A 52 8.386 -5.737 3.957 1.00 0.81 C ATOM 774 C VAL A 52 7.691 -4.378 3.755 1.00 0.74 C ATOM 775 O VAL A 52 6.481 -4.284 3.854 1.00 0.72 O ATOM 776 CB VAL A 52 8.702 -6.356 2.585 1.00 0.81 C ATOM 777 CG1 VAL A 52 9.551 -7.617 2.770 1.00 0.95 C ATOM 778 CG2 VAL A 52 7.401 -6.723 1.865 1.00 0.79 C ATOM 0 H VAL A 52 6.516 -6.672 4.408 1.00 0.84 H new ATOM 0 HA VAL A 52 9.314 -5.596 4.512 1.00 0.81 H new ATOM 0 HB VAL A 52 9.253 -5.629 1.988 1.00 0.81 H new ATOM 0 HG11 VAL A 52 9.773 -8.053 1.796 1.00 0.95 H new ATOM 0 HG12 VAL A 52 10.483 -7.358 3.272 1.00 0.95 H new ATOM 0 HG13 VAL A 52 9.002 -8.340 3.374 1.00 0.95 H new ATOM 0 HG21 VAL A 52 7.633 -7.161 0.894 1.00 0.79 H new ATOM 0 HG22 VAL A 52 6.844 -7.444 2.464 1.00 0.79 H new ATOM 0 HG23 VAL A 52 6.798 -5.826 1.724 1.00 0.79 H new ATOM 788 N PRO A 53 8.480 -3.362 3.471 1.00 0.74 N ATOM 789 CA PRO A 53 7.967 -1.994 3.243 1.00 0.71 C ATOM 790 C PRO A 53 7.318 -1.878 1.859 1.00 0.64 C ATOM 791 O PRO A 53 7.934 -2.151 0.845 1.00 0.67 O ATOM 792 CB PRO A 53 9.215 -1.115 3.348 1.00 0.77 C ATOM 793 CG PRO A 53 10.425 -2.039 3.075 1.00 0.82 C ATOM 794 CD PRO A 53 9.951 -3.479 3.351 1.00 0.81 C ATOM 0 HA PRO A 53 7.193 -1.706 3.955 1.00 0.71 H new ATOM 0 HB2 PRO A 53 9.178 -0.300 2.625 1.00 0.77 H new ATOM 0 HB3 PRO A 53 9.288 -0.661 4.336 1.00 0.77 H new ATOM 0 HG2 PRO A 53 10.768 -1.935 2.046 1.00 0.82 H new ATOM 0 HG3 PRO A 53 11.265 -1.778 3.719 1.00 0.82 H new ATOM 0 HD2 PRO A 53 10.232 -4.153 2.541 1.00 0.81 H new ATOM 0 HD3 PRO A 53 10.395 -3.876 4.264 1.00 0.81 H new ATOM 802 N ALA A 54 6.072 -1.470 1.826 1.00 0.63 N ATOM 803 CA ALA A 54 5.343 -1.324 0.525 1.00 0.61 C ATOM 804 C ALA A 54 5.846 -0.083 -0.227 1.00 0.58 C ATOM 805 O ALA A 54 5.843 -0.049 -1.445 1.00 0.61 O ATOM 806 CB ALA A 54 3.842 -1.179 0.798 1.00 0.70 C ATOM 0 H ALA A 54 5.524 -1.230 2.652 1.00 0.63 H new ATOM 0 HA ALA A 54 5.525 -2.208 -0.086 1.00 0.61 H new ATOM 0 HB1 ALA A 54 3.309 -1.073 -0.147 1.00 0.70 H new ATOM 0 HB2 ALA A 54 3.480 -2.064 1.321 1.00 0.70 H new ATOM 0 HB3 ALA A 54 3.668 -0.297 1.414 1.00 0.70 H new ATOM 812 N ALA A 55 6.276 0.934 0.490 1.00 0.62 N ATOM 813 CA ALA A 55 6.780 2.180 -0.171 1.00 0.67 C ATOM 814 C ALA A 55 7.994 1.854 -1.055 1.00 0.66 C ATOM 815 O ALA A 55 8.132 2.387 -2.141 1.00 0.76 O ATOM 816 CB ALA A 55 7.190 3.195 0.900 1.00 0.75 C ATOM 0 H ALA A 55 6.298 0.951 1.510 1.00 0.62 H new ATOM 0 HA ALA A 55 5.988 2.599 -0.792 1.00 0.67 H new ATOM 0 HB1 ALA A 55 7.557 4.102 0.420 1.00 0.75 H new ATOM 0 HB2 ALA A 55 6.328 3.437 1.521 1.00 0.75 H new ATOM 0 HB3 ALA A 55 7.978 2.770 1.522 1.00 0.75 H new ATOM 822 N THR A 56 8.867 0.984 -0.599 1.00 0.65 N ATOM 823 CA THR A 56 10.073 0.621 -1.410 1.00 0.73 C ATOM 824 C THR A 56 9.917 -0.804 -1.970 1.00 0.70 C ATOM 825 O THR A 56 10.882 -1.540 -2.098 1.00 0.92 O ATOM 826 CB THR A 56 11.330 0.703 -0.527 1.00 0.83 C ATOM 827 OG1 THR A 56 11.124 -0.037 0.671 1.00 0.83 O ATOM 828 CG2 THR A 56 11.623 2.166 -0.183 1.00 0.96 C ATOM 0 H THR A 56 8.795 0.510 0.301 1.00 0.65 H new ATOM 0 HA THR A 56 10.172 1.319 -2.242 1.00 0.73 H new ATOM 0 HB THR A 56 12.177 0.283 -1.069 1.00 0.83 H new ATOM 0 HG1 THR A 56 11.927 0.016 1.230 1.00 0.83 H new ATOM 0 HG21 THR A 56 12.514 2.221 0.443 1.00 0.96 H new ATOM 0 HG22 THR A 56 11.789 2.729 -1.101 1.00 0.96 H new ATOM 0 HG23 THR A 56 10.775 2.590 0.355 1.00 0.96 H new ATOM 836 N SER A 57 8.710 -1.196 -2.313 1.00 0.63 N ATOM 837 CA SER A 57 8.485 -2.565 -2.870 1.00 0.62 C ATOM 838 C SER A 57 7.566 -2.483 -4.092 1.00 0.55 C ATOM 839 O SER A 57 6.677 -1.651 -4.165 1.00 0.58 O ATOM 840 CB SER A 57 7.841 -3.454 -1.804 1.00 0.72 C ATOM 841 OG SER A 57 7.647 -4.763 -2.327 1.00 0.81 O ATOM 0 H SER A 57 7.871 -0.622 -2.230 1.00 0.63 H new ATOM 0 HA SER A 57 9.442 -2.992 -3.168 1.00 0.62 H new ATOM 0 HB2 SER A 57 8.476 -3.496 -0.919 1.00 0.72 H new ATOM 0 HB3 SER A 57 6.886 -3.031 -1.492 1.00 0.72 H new ATOM 0 HG SER A 57 8.279 -4.920 -3.059 1.00 0.81 H new ATOM 847 N ALA A 58 7.776 -3.355 -5.048 1.00 0.53 N ATOM 848 CA ALA A 58 6.928 -3.361 -6.278 1.00 0.49 C ATOM 849 C ALA A 58 6.172 -4.694 -6.371 1.00 0.47 C ATOM 850 O ALA A 58 6.449 -5.629 -5.639 1.00 0.54 O ATOM 851 CB ALA A 58 7.818 -3.189 -7.511 1.00 0.49 C ATOM 0 H ALA A 58 8.505 -4.068 -5.027 1.00 0.53 H new ATOM 0 HA ALA A 58 6.212 -2.541 -6.231 1.00 0.49 H new ATOM 0 HB1 ALA A 58 7.200 -3.193 -8.409 1.00 0.49 H new ATOM 0 HB2 ALA A 58 8.354 -2.242 -7.444 1.00 0.49 H new ATOM 0 HB3 ALA A 58 8.535 -4.009 -7.560 1.00 0.49 H new ATOM 857 N ILE A 59 5.220 -4.783 -7.268 1.00 0.44 N ATOM 858 CA ILE A 59 4.437 -6.047 -7.419 1.00 0.43 C ATOM 859 C ILE A 59 4.566 -6.560 -8.854 1.00 0.41 C ATOM 860 O ILE A 59 4.066 -5.953 -9.781 1.00 0.42 O ATOM 861 CB ILE A 59 2.960 -5.773 -7.105 1.00 0.44 C ATOM 862 CG1 ILE A 59 2.785 -5.526 -5.600 1.00 0.51 C ATOM 863 CG2 ILE A 59 2.101 -6.968 -7.536 1.00 0.44 C ATOM 864 CD1 ILE A 59 3.133 -6.791 -4.808 1.00 0.56 C ATOM 0 H ILE A 59 4.952 -4.032 -7.903 1.00 0.44 H new ATOM 0 HA ILE A 59 4.823 -6.798 -6.729 1.00 0.43 H new ATOM 0 HB ILE A 59 2.640 -4.888 -7.655 1.00 0.44 H new ATOM 0 HG12 ILE A 59 3.425 -4.703 -5.283 1.00 0.51 H new ATOM 0 HG13 ILE A 59 1.757 -5.229 -5.391 1.00 0.51 H new ATOM 0 HG21 ILE A 59 1.054 -6.764 -7.309 1.00 0.44 H new ATOM 0 HG22 ILE A 59 2.215 -7.130 -8.608 1.00 0.44 H new ATOM 0 HG23 ILE A 59 2.422 -7.860 -6.998 1.00 0.44 H new ATOM 0 HD11 ILE A 59 3.004 -6.600 -3.743 1.00 0.56 H new ATOM 0 HD12 ILE A 59 2.474 -7.604 -5.113 1.00 0.56 H new ATOM 0 HD13 ILE A 59 4.168 -7.070 -5.004 1.00 0.56 H new ATOM 876 N ILE A 60 5.211 -7.683 -9.043 1.00 0.43 N ATOM 877 CA ILE A 60 5.350 -8.244 -10.422 1.00 0.43 C ATOM 878 C ILE A 60 4.277 -9.321 -10.632 1.00 0.40 C ATOM 879 O ILE A 60 3.566 -9.682 -9.714 1.00 0.45 O ATOM 880 CB ILE A 60 6.749 -8.851 -10.615 1.00 0.51 C ATOM 881 CG1 ILE A 60 6.986 -9.966 -9.588 1.00 0.57 C ATOM 882 CG2 ILE A 60 7.810 -7.760 -10.441 1.00 0.58 C ATOM 883 CD1 ILE A 60 7.463 -11.231 -10.307 1.00 0.66 C ATOM 0 H ILE A 60 5.647 -8.235 -8.304 1.00 0.43 H new ATOM 0 HA ILE A 60 5.219 -7.445 -11.152 1.00 0.43 H new ATOM 0 HB ILE A 60 6.819 -9.271 -11.618 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.729 -9.649 -8.856 1.00 0.57 H new ATOM 0 HG13 ILE A 60 6.066 -10.171 -9.040 1.00 0.57 H new ATOM 0 HG21 ILE A 60 8.802 -8.192 -10.578 1.00 0.58 H new ATOM 0 HG22 ILE A 60 7.650 -6.976 -11.181 1.00 0.58 H new ATOM 0 HG23 ILE A 60 7.734 -7.335 -9.440 1.00 0.58 H new ATOM 0 HD11 ILE A 60 7.631 -12.023 -9.577 1.00 0.66 H new ATOM 0 HD12 ILE A 60 6.705 -11.551 -11.022 1.00 0.66 H new ATOM 0 HD13 ILE A 60 8.393 -11.021 -10.835 1.00 0.66 H new ATOM 895 N THR A 61 4.145 -9.826 -11.833 1.00 0.41 N ATOM 896 CA THR A 61 3.108 -10.873 -12.097 1.00 0.40 C ATOM 897 C THR A 61 3.774 -12.243 -12.266 1.00 0.46 C ATOM 898 O THR A 61 4.984 -12.351 -12.376 1.00 0.54 O ATOM 899 CB THR A 61 2.326 -10.519 -13.369 1.00 0.43 C ATOM 900 OG1 THR A 61 3.218 -10.417 -14.472 1.00 0.52 O ATOM 901 CG2 THR A 61 1.603 -9.187 -13.170 1.00 0.51 C ATOM 0 H THR A 61 4.708 -9.560 -12.641 1.00 0.41 H new ATOM 0 HA THR A 61 2.423 -10.913 -11.250 1.00 0.40 H new ATOM 0 HB THR A 61 1.596 -11.303 -13.571 1.00 0.43 H new ATOM 0 HG1 THR A 61 2.704 -10.352 -15.304 1.00 0.52 H new ATOM 0 HG21 THR A 61 1.048 -8.936 -14.074 1.00 0.51 H new ATOM 0 HG22 THR A 61 0.912 -9.270 -12.331 1.00 0.51 H new ATOM 0 HG23 THR A 61 2.333 -8.404 -12.963 1.00 0.51 H new ATOM 909 N ASN A 62 2.983 -13.289 -12.294 1.00 0.48 N ATOM 910 CA ASN A 62 3.544 -14.666 -12.463 1.00 0.56 C ATOM 911 C ASN A 62 4.197 -14.797 -13.848 1.00 0.58 C ATOM 912 O ASN A 62 5.087 -15.605 -14.042 1.00 0.68 O ATOM 913 CB ASN A 62 2.416 -15.695 -12.328 1.00 0.62 C ATOM 914 CG ASN A 62 2.099 -15.915 -10.845 1.00 0.70 C ATOM 915 OD1 ASN A 62 1.483 -15.080 -10.211 1.00 0.76 O ATOM 916 ND2 ASN A 62 2.496 -17.014 -10.261 1.00 1.01 N ATOM 0 H ASN A 62 1.968 -13.247 -12.207 1.00 0.48 H new ATOM 0 HA ASN A 62 4.296 -14.845 -11.695 1.00 0.56 H new ATOM 0 HB2 ASN A 62 1.527 -15.346 -12.853 1.00 0.62 H new ATOM 0 HB3 ASN A 62 2.711 -16.637 -12.791 1.00 0.62 H new ATOM 0 HD21 ASN A 62 2.289 -17.171 -9.275 1.00 1.01 H new ATOM 0 HD22 ASN A 62 3.013 -17.715 -10.791 1.00 1.01 H new ATOM 923 N ASP A 63 3.765 -14.004 -14.806 1.00 0.57 N ATOM 924 CA ASP A 63 4.357 -14.072 -16.177 1.00 0.66 C ATOM 925 C ASP A 63 5.692 -13.316 -16.193 1.00 0.68 C ATOM 926 O ASP A 63 6.698 -13.834 -16.643 1.00 0.92 O ATOM 927 CB ASP A 63 3.398 -13.426 -17.187 1.00 0.73 C ATOM 928 CG ASP A 63 2.017 -14.086 -17.094 1.00 0.88 C ATOM 929 OD1 ASP A 63 1.825 -15.110 -17.731 1.00 1.30 O ATOM 930 OD2 ASP A 63 1.175 -13.555 -16.387 1.00 1.23 O ATOM 0 H ASP A 63 3.025 -13.312 -14.692 1.00 0.57 H new ATOM 0 HA ASP A 63 4.521 -15.115 -16.448 1.00 0.66 H new ATOM 0 HB2 ASP A 63 3.314 -12.357 -16.989 1.00 0.73 H new ATOM 0 HB3 ASP A 63 3.794 -13.533 -18.197 1.00 0.73 H new ATOM 935 N GLY A 64 5.704 -12.097 -15.702 1.00 0.61 N ATOM 936 CA GLY A 64 6.967 -11.297 -15.679 1.00 0.65 C ATOM 937 C GLY A 64 6.659 -9.827 -15.987 1.00 0.64 C ATOM 938 O GLY A 64 7.257 -9.234 -16.866 1.00 0.77 O ATOM 0 H GLY A 64 4.888 -11.622 -15.315 1.00 0.61 H new ATOM 0 HA2 GLY A 64 7.443 -11.381 -14.702 1.00 0.65 H new ATOM 0 HA3 GLY A 64 7.671 -11.691 -16.412 1.00 0.65 H new ATOM 942 N VAL A 65 5.731 -9.240 -15.268 1.00 0.58 N ATOM 943 CA VAL A 65 5.370 -7.806 -15.502 1.00 0.59 C ATOM 944 C VAL A 65 5.466 -7.044 -14.175 1.00 0.54 C ATOM 945 O VAL A 65 4.779 -7.360 -13.221 1.00 0.53 O ATOM 946 CB VAL A 65 3.939 -7.718 -16.053 1.00 0.59 C ATOM 947 CG1 VAL A 65 3.587 -6.257 -16.342 1.00 0.68 C ATOM 948 CG2 VAL A 65 3.838 -8.529 -17.348 1.00 0.65 C ATOM 0 H VAL A 65 5.205 -9.697 -14.524 1.00 0.58 H new ATOM 0 HA VAL A 65 6.056 -7.365 -16.226 1.00 0.59 H new ATOM 0 HB VAL A 65 3.245 -8.120 -15.315 1.00 0.59 H new ATOM 0 HG11 VAL A 65 2.571 -6.198 -16.733 1.00 0.68 H new ATOM 0 HG12 VAL A 65 3.656 -5.677 -15.422 1.00 0.68 H new ATOM 0 HG13 VAL A 65 4.283 -5.854 -17.078 1.00 0.68 H new ATOM 0 HG21 VAL A 65 2.822 -8.466 -17.738 1.00 0.65 H new ATOM 0 HG22 VAL A 65 4.535 -8.128 -18.084 1.00 0.65 H new ATOM 0 HG23 VAL A 65 4.085 -9.571 -17.145 1.00 0.65 H new ATOM 958 N GLY A 66 6.320 -6.048 -14.112 1.00 0.60 N ATOM 959 CA GLY A 66 6.484 -5.259 -12.853 1.00 0.57 C ATOM 960 C GLY A 66 5.323 -4.277 -12.690 1.00 0.53 C ATOM 961 O GLY A 66 5.420 -3.121 -13.063 1.00 0.61 O ATOM 0 H GLY A 66 6.913 -5.748 -14.886 1.00 0.60 H new ATOM 0 HA2 GLY A 66 6.524 -5.932 -11.996 1.00 0.57 H new ATOM 0 HA3 GLY A 66 7.429 -4.716 -12.876 1.00 0.57 H new ATOM 965 N VAL A 67 4.233 -4.731 -12.125 1.00 0.46 N ATOM 966 CA VAL A 67 3.052 -3.837 -11.912 1.00 0.46 C ATOM 967 C VAL A 67 3.344 -2.882 -10.746 1.00 0.46 C ATOM 968 O VAL A 67 3.900 -3.271 -9.733 1.00 0.49 O ATOM 969 CB VAL A 67 1.812 -4.684 -11.587 1.00 0.45 C ATOM 970 CG1 VAL A 67 0.581 -3.781 -11.475 1.00 0.59 C ATOM 971 CG2 VAL A 67 1.585 -5.711 -12.701 1.00 0.49 C ATOM 0 H VAL A 67 4.109 -5.690 -11.799 1.00 0.46 H new ATOM 0 HA VAL A 67 2.864 -3.261 -12.818 1.00 0.46 H new ATOM 0 HB VAL A 67 1.971 -5.199 -10.640 1.00 0.45 H new ATOM 0 HG11 VAL A 67 -0.295 -4.387 -11.244 1.00 0.59 H new ATOM 0 HG12 VAL A 67 0.736 -3.051 -10.681 1.00 0.59 H new ATOM 0 HG13 VAL A 67 0.424 -3.261 -12.420 1.00 0.59 H new ATOM 0 HG21 VAL A 67 0.705 -6.311 -12.469 1.00 0.49 H new ATOM 0 HG22 VAL A 67 1.432 -5.193 -13.648 1.00 0.49 H new ATOM 0 HG23 VAL A 67 2.457 -6.361 -12.780 1.00 0.49 H new ATOM 981 N ASN A 68 2.977 -1.631 -10.889 1.00 0.51 N ATOM 982 CA ASN A 68 3.232 -0.636 -9.801 1.00 0.52 C ATOM 983 C ASN A 68 1.925 -0.323 -9.055 1.00 0.49 C ATOM 984 O ASN A 68 0.845 -0.521 -9.584 1.00 0.51 O ATOM 985 CB ASN A 68 3.794 0.653 -10.417 1.00 0.61 C ATOM 986 CG ASN A 68 5.304 0.508 -10.666 1.00 0.68 C ATOM 987 OD1 ASN A 68 5.848 -0.579 -10.604 1.00 1.26 O ATOM 988 ND2 ASN A 68 6.008 1.571 -10.951 1.00 1.30 N ATOM 0 H ASN A 68 2.511 -1.256 -11.715 1.00 0.51 H new ATOM 0 HA ASN A 68 3.951 -1.051 -9.095 1.00 0.52 H new ATOM 0 HB2 ASN A 68 3.283 0.870 -11.355 1.00 0.61 H new ATOM 0 HB3 ASN A 68 3.607 1.495 -9.750 1.00 0.61 H new ATOM 0 HD21 ASN A 68 7.010 1.488 -11.121 1.00 1.30 H new ATOM 0 HD22 ASN A 68 5.555 2.483 -11.004 1.00 1.30 H new ATOM 995 N PRO A 69 2.070 0.168 -7.841 1.00 0.51 N ATOM 996 CA PRO A 69 0.929 0.533 -6.979 1.00 0.56 C ATOM 997 C PRO A 69 0.351 1.887 -7.421 1.00 0.60 C ATOM 998 O PRO A 69 0.440 2.878 -6.718 1.00 0.68 O ATOM 999 CB PRO A 69 1.548 0.610 -5.577 1.00 0.62 C ATOM 1000 CG PRO A 69 3.062 0.849 -5.782 1.00 0.60 C ATOM 1001 CD PRO A 69 3.389 0.403 -7.220 1.00 0.54 C ATOM 0 HA PRO A 69 0.101 -0.174 -7.022 1.00 0.56 H new ATOM 0 HB2 PRO A 69 1.102 1.419 -4.999 1.00 0.62 H new ATOM 0 HB3 PRO A 69 1.372 -0.312 -5.023 1.00 0.62 H new ATOM 0 HG2 PRO A 69 3.311 1.900 -5.637 1.00 0.60 H new ATOM 0 HG3 PRO A 69 3.645 0.280 -5.058 1.00 0.60 H new ATOM 0 HD2 PRO A 69 3.950 1.169 -7.756 1.00 0.54 H new ATOM 0 HD3 PRO A 69 3.998 -0.501 -7.227 1.00 0.54 H new ATOM 1009 N ALA A 70 -0.229 1.927 -8.595 1.00 0.63 N ATOM 1010 CA ALA A 70 -0.813 3.202 -9.119 1.00 0.73 C ATOM 1011 C ALA A 70 -2.223 2.948 -9.676 1.00 0.74 C ATOM 1012 O ALA A 70 -3.128 3.735 -9.465 1.00 0.94 O ATOM 1013 CB ALA A 70 0.081 3.750 -10.234 1.00 0.79 C ATOM 0 H ALA A 70 -0.324 1.125 -9.218 1.00 0.63 H new ATOM 0 HA ALA A 70 -0.875 3.925 -8.306 1.00 0.73 H new ATOM 0 HB1 ALA A 70 -0.343 4.678 -10.617 1.00 0.79 H new ATOM 0 HB2 ALA A 70 1.079 3.942 -9.839 1.00 0.79 H new ATOM 0 HB3 ALA A 70 0.145 3.020 -11.041 1.00 0.79 H new ATOM 1019 N GLN A 71 -2.411 1.857 -10.387 1.00 0.64 N ATOM 1020 CA GLN A 71 -3.756 1.541 -10.967 1.00 0.70 C ATOM 1021 C GLN A 71 -4.705 1.050 -9.863 1.00 0.68 C ATOM 1022 O GLN A 71 -4.261 0.624 -8.813 1.00 0.64 O ATOM 1023 CB GLN A 71 -3.605 0.444 -12.028 1.00 0.73 C ATOM 1024 CG GLN A 71 -2.927 1.018 -13.274 1.00 0.96 C ATOM 1025 CD GLN A 71 -1.949 -0.013 -13.844 1.00 1.40 C ATOM 1026 OE1 GLN A 71 -2.315 -0.821 -14.676 1.00 1.80 O ATOM 1027 NE2 GLN A 71 -0.711 -0.021 -13.427 1.00 1.67 N ATOM 0 H GLN A 71 -1.685 1.170 -10.590 1.00 0.64 H new ATOM 0 HA GLN A 71 -4.170 2.442 -11.420 1.00 0.70 H new ATOM 0 HB2 GLN A 71 -3.015 -0.381 -11.629 1.00 0.73 H new ATOM 0 HB3 GLN A 71 -4.583 0.040 -12.289 1.00 0.73 H new ATOM 0 HG2 GLN A 71 -3.676 1.277 -14.022 1.00 0.96 H new ATOM 0 HG3 GLN A 71 -2.398 1.937 -13.022 1.00 0.96 H new ATOM 0 HE21 GLN A 71 -0.403 0.656 -12.729 1.00 1.67 H new ATOM 0 HE22 GLN A 71 -0.052 -0.705 -13.799 1.00 1.67 H new ATOM 1036 N PRO A 72 -5.990 1.117 -10.139 1.00 0.76 N ATOM 1037 CA PRO A 72 -7.035 0.677 -9.192 1.00 0.79 C ATOM 1038 C PRO A 72 -7.148 -0.855 -9.186 1.00 0.75 C ATOM 1039 O PRO A 72 -6.715 -1.522 -10.111 1.00 0.75 O ATOM 1040 CB PRO A 72 -8.312 1.319 -9.741 1.00 0.91 C ATOM 1041 CG PRO A 72 -8.049 1.604 -11.238 1.00 0.94 C ATOM 1042 CD PRO A 72 -6.520 1.639 -11.419 1.00 0.86 C ATOM 0 HA PRO A 72 -6.828 0.967 -8.162 1.00 0.79 H new ATOM 0 HB2 PRO A 72 -9.166 0.653 -9.617 1.00 0.91 H new ATOM 0 HB3 PRO A 72 -8.545 2.239 -9.206 1.00 0.91 H new ATOM 0 HG2 PRO A 72 -8.495 0.831 -11.864 1.00 0.94 H new ATOM 0 HG3 PRO A 72 -8.496 2.552 -11.536 1.00 0.94 H new ATOM 0 HD2 PRO A 72 -6.205 1.023 -12.261 1.00 0.86 H new ATOM 0 HD3 PRO A 72 -6.165 2.651 -11.614 1.00 0.86 H new ATOM 1050 N ALA A 73 -7.725 -1.413 -8.148 1.00 0.78 N ATOM 1051 CA ALA A 73 -7.875 -2.902 -8.059 1.00 0.77 C ATOM 1052 C ALA A 73 -8.664 -3.427 -9.267 1.00 0.79 C ATOM 1053 O ALA A 73 -8.353 -4.472 -9.809 1.00 0.79 O ATOM 1054 CB ALA A 73 -8.616 -3.264 -6.769 1.00 0.84 C ATOM 0 H ALA A 73 -8.101 -0.897 -7.353 1.00 0.78 H new ATOM 0 HA ALA A 73 -6.886 -3.359 -8.055 1.00 0.77 H new ATOM 0 HB1 ALA A 73 -8.725 -4.347 -6.704 1.00 0.84 H new ATOM 0 HB2 ALA A 73 -8.049 -2.904 -5.910 1.00 0.84 H new ATOM 0 HB3 ALA A 73 -9.602 -2.799 -6.773 1.00 0.84 H new ATOM 1060 N GLY A 74 -9.680 -2.708 -9.694 1.00 0.85 N ATOM 1061 CA GLY A 74 -10.493 -3.157 -10.867 1.00 0.90 C ATOM 1062 C GLY A 74 -9.603 -3.264 -12.114 1.00 0.85 C ATOM 1063 O GLY A 74 -9.700 -4.212 -12.869 1.00 0.85 O ATOM 0 H GLY A 74 -9.979 -1.827 -9.277 1.00 0.85 H new ATOM 0 HA2 GLY A 74 -10.952 -4.123 -10.654 1.00 0.90 H new ATOM 0 HA3 GLY A 74 -11.304 -2.452 -11.049 1.00 0.90 H new ATOM 1067 N ASN A 75 -8.739 -2.296 -12.329 1.00 0.85 N ATOM 1068 CA ASN A 75 -7.837 -2.329 -13.524 1.00 0.84 C ATOM 1069 C ASN A 75 -6.777 -3.426 -13.352 1.00 0.75 C ATOM 1070 O ASN A 75 -6.438 -4.117 -14.296 1.00 0.78 O ATOM 1071 CB ASN A 75 -7.143 -0.971 -13.677 1.00 0.89 C ATOM 1072 CG ASN A 75 -6.878 -0.692 -15.158 1.00 1.28 C ATOM 1073 OD1 ASN A 75 -7.727 -0.167 -15.851 1.00 1.63 O ATOM 1074 ND2 ASN A 75 -5.724 -1.019 -15.677 1.00 1.70 N ATOM 0 H ASN A 75 -8.621 -1.483 -11.725 1.00 0.85 H new ATOM 0 HA ASN A 75 -8.431 -2.541 -14.413 1.00 0.84 H new ATOM 0 HB2 ASN A 75 -7.767 -0.183 -13.254 1.00 0.89 H new ATOM 0 HB3 ASN A 75 -6.205 -0.967 -13.122 1.00 0.89 H new ATOM 0 HD21 ASN A 75 -5.537 -0.833 -16.662 1.00 1.70 H new ATOM 0 HD22 ASN A 75 -5.010 -1.460 -15.097 1.00 1.70 H new ATOM 1081 N ILE A 76 -6.254 -3.591 -12.155 1.00 0.69 N ATOM 1082 CA ILE A 76 -5.215 -4.644 -11.911 1.00 0.62 C ATOM 1083 C ILE A 76 -5.818 -6.029 -12.191 1.00 0.63 C ATOM 1084 O ILE A 76 -5.212 -6.853 -12.852 1.00 0.65 O ATOM 1085 CB ILE A 76 -4.739 -4.571 -10.451 1.00 0.59 C ATOM 1086 CG1 ILE A 76 -4.050 -3.218 -10.199 1.00 0.59 C ATOM 1087 CG2 ILE A 76 -3.754 -5.712 -10.163 1.00 0.58 C ATOM 1088 CD1 ILE A 76 -2.771 -3.110 -11.037 1.00 0.57 C ATOM 0 H ILE A 76 -6.505 -3.038 -11.335 1.00 0.69 H new ATOM 0 HA ILE A 76 -4.365 -4.478 -12.573 1.00 0.62 H new ATOM 0 HB ILE A 76 -5.600 -4.668 -9.790 1.00 0.59 H new ATOM 0 HG12 ILE A 76 -4.729 -2.404 -10.452 1.00 0.59 H new ATOM 0 HG13 ILE A 76 -3.810 -3.116 -9.141 1.00 0.59 H new ATOM 0 HG21 ILE A 76 -3.422 -5.653 -9.127 1.00 0.58 H new ATOM 0 HG22 ILE A 76 -4.247 -6.669 -10.332 1.00 0.58 H new ATOM 0 HG23 ILE A 76 -2.893 -5.625 -10.826 1.00 0.58 H new ATOM 0 HD11 ILE A 76 -2.293 -2.148 -10.850 1.00 0.57 H new ATOM 0 HD12 ILE A 76 -2.088 -3.914 -10.763 1.00 0.57 H new ATOM 0 HD13 ILE A 76 -3.021 -3.191 -12.095 1.00 0.57 H new ATOM 1100 N PHE A 77 -7.010 -6.282 -11.700 1.00 0.65 N ATOM 1101 CA PHE A 77 -7.671 -7.604 -11.937 1.00 0.68 C ATOM 1102 C PHE A 77 -8.021 -7.742 -13.426 1.00 0.73 C ATOM 1103 O PHE A 77 -7.907 -8.811 -13.999 1.00 0.76 O ATOM 1104 CB PHE A 77 -8.950 -7.689 -11.097 1.00 0.74 C ATOM 1105 CG PHE A 77 -9.417 -9.125 -11.021 1.00 0.76 C ATOM 1106 CD1 PHE A 77 -8.913 -9.974 -10.027 1.00 0.74 C ATOM 1107 CD2 PHE A 77 -10.354 -9.606 -11.943 1.00 0.89 C ATOM 1108 CE1 PHE A 77 -9.346 -11.303 -9.957 1.00 0.79 C ATOM 1109 CE2 PHE A 77 -10.787 -10.935 -11.872 1.00 0.95 C ATOM 1110 CZ PHE A 77 -10.283 -11.783 -10.880 1.00 0.88 C ATOM 0 H PHE A 77 -7.555 -5.624 -11.142 1.00 0.65 H new ATOM 0 HA PHE A 77 -6.994 -8.409 -11.650 1.00 0.68 H new ATOM 0 HB2 PHE A 77 -8.764 -7.304 -10.094 1.00 0.74 H new ATOM 0 HB3 PHE A 77 -9.728 -7.067 -11.538 1.00 0.74 H new ATOM 0 HD1 PHE A 77 -8.191 -9.603 -9.315 1.00 0.74 H new ATOM 0 HD2 PHE A 77 -10.743 -8.952 -12.709 1.00 0.89 H new ATOM 0 HE1 PHE A 77 -8.958 -11.958 -9.191 1.00 0.79 H new ATOM 0 HE2 PHE A 77 -11.510 -11.306 -12.583 1.00 0.95 H new ATOM 0 HZ PHE A 77 -10.617 -12.809 -10.826 1.00 0.88 H new ATOM 1120 N LEU A 78 -8.442 -6.667 -14.053 1.00 0.76 N ATOM 1121 CA LEU A 78 -8.799 -6.717 -15.505 1.00 0.83 C ATOM 1122 C LEU A 78 -7.540 -6.984 -16.345 1.00 0.82 C ATOM 1123 O LEU A 78 -7.589 -7.687 -17.338 1.00 0.89 O ATOM 1124 CB LEU A 78 -9.409 -5.371 -15.927 1.00 0.89 C ATOM 1125 CG LEU A 78 -10.924 -5.510 -16.134 1.00 1.01 C ATOM 1126 CD1 LEU A 78 -11.203 -6.423 -17.334 1.00 1.12 C ATOM 1127 CD2 LEU A 78 -11.575 -6.103 -14.878 1.00 1.05 C ATOM 0 H LEU A 78 -8.554 -5.752 -13.616 1.00 0.76 H new ATOM 0 HA LEU A 78 -9.519 -7.519 -15.668 1.00 0.83 H new ATOM 0 HB2 LEU A 78 -9.207 -4.618 -15.165 1.00 0.89 H new ATOM 0 HB3 LEU A 78 -8.940 -5.025 -16.848 1.00 0.89 H new ATOM 0 HG LEU A 78 -11.345 -4.523 -16.323 1.00 1.01 H new ATOM 0 HD11 LEU A 78 -12.279 -6.518 -17.476 1.00 1.12 H new ATOM 0 HD12 LEU A 78 -10.755 -5.993 -18.230 1.00 1.12 H new ATOM 0 HD13 LEU A 78 -10.773 -7.408 -17.150 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -12.649 -6.197 -15.035 1.00 1.05 H new ATOM 0 HD22 LEU A 78 -11.150 -7.086 -14.678 1.00 1.05 H new ATOM 0 HD23 LEU A 78 -11.389 -5.447 -14.028 1.00 1.05 H new ATOM 1139 N LYS A 79 -6.420 -6.417 -15.955 1.00 0.80 N ATOM 1140 CA LYS A 79 -5.154 -6.619 -16.726 1.00 0.82 C ATOM 1141 C LYS A 79 -4.591 -8.021 -16.461 1.00 0.77 C ATOM 1142 O LYS A 79 -4.396 -8.797 -17.379 1.00 0.84 O ATOM 1143 CB LYS A 79 -4.125 -5.566 -16.302 1.00 0.85 C ATOM 1144 CG LYS A 79 -3.244 -5.199 -17.499 1.00 1.02 C ATOM 1145 CD LYS A 79 -2.644 -3.805 -17.288 1.00 1.12 C ATOM 1146 CE LYS A 79 -1.114 -3.899 -17.270 1.00 1.09 C ATOM 1147 NZ LYS A 79 -0.594 -3.366 -15.978 1.00 1.61 N ATOM 0 H LYS A 79 -6.331 -5.821 -15.132 1.00 0.80 H new ATOM 0 HA LYS A 79 -5.366 -6.518 -17.790 1.00 0.82 H new ATOM 0 HB2 LYS A 79 -4.632 -4.678 -15.925 1.00 0.85 H new ATOM 0 HB3 LYS A 79 -3.510 -5.951 -15.489 1.00 0.85 H new ATOM 0 HG2 LYS A 79 -2.448 -5.934 -17.617 1.00 1.02 H new ATOM 0 HG3 LYS A 79 -3.833 -5.217 -18.416 1.00 1.02 H new ATOM 0 HD2 LYS A 79 -2.968 -3.135 -18.084 1.00 1.12 H new ATOM 0 HD3 LYS A 79 -3.003 -3.382 -16.350 1.00 1.12 H new ATOM 0 HE2 LYS A 79 -0.802 -4.935 -17.399 1.00 1.09 H new ATOM 0 HE3 LYS A 79 -0.695 -3.334 -18.103 1.00 1.09 H new ATOM 0 HZ1 LYS A 79 0.404 -3.097 -16.090 1.00 1.61 H new ATOM 0 HZ2 LYS A 79 -1.148 -2.531 -15.699 1.00 1.61 H new ATOM 0 HZ3 LYS A 79 -0.675 -4.097 -15.243 1.00 1.61 H new ATOM 1161 N HIS A 80 -4.319 -8.347 -15.217 1.00 0.72 N ATOM 1162 CA HIS A 80 -3.754 -9.694 -14.891 1.00 0.71 C ATOM 1163 C HIS A 80 -4.808 -10.542 -14.168 1.00 0.71 C ATOM 1164 O HIS A 80 -5.149 -11.624 -14.613 1.00 0.83 O ATOM 1165 CB HIS A 80 -2.522 -9.527 -13.997 1.00 0.73 C ATOM 1166 CG HIS A 80 -1.470 -8.744 -14.737 1.00 0.86 C ATOM 1167 ND1 HIS A 80 -0.705 -9.305 -15.747 1.00 1.02 N ATOM 1168 CD2 HIS A 80 -1.052 -7.441 -14.629 1.00 1.03 C ATOM 1169 CE1 HIS A 80 0.125 -8.350 -16.205 1.00 1.19 C ATOM 1170 NE2 HIS A 80 -0.045 -7.193 -15.557 1.00 1.19 N ATOM 0 H HIS A 80 -4.465 -7.736 -14.414 1.00 0.72 H new ATOM 0 HA HIS A 80 -3.467 -10.197 -15.814 1.00 0.71 H new ATOM 0 HB2 HIS A 80 -2.794 -9.011 -13.076 1.00 0.73 H new ATOM 0 HB3 HIS A 80 -2.131 -10.504 -13.712 1.00 0.73 H new ATOM 0 HD2 HIS A 80 -1.445 -6.718 -13.930 1.00 1.03 H new ATOM 0 HE1 HIS A 80 0.841 -8.500 -16.999 1.00 1.19 H new ATOM 0 HE2 HIS A 80 0.455 -6.317 -15.710 1.00 1.19 H new ATOM 1178 N GLY A 81 -5.321 -10.060 -13.060 1.00 0.66 N ATOM 1179 CA GLY A 81 -6.352 -10.833 -12.302 1.00 0.69 C ATOM 1180 C GLY A 81 -5.832 -11.142 -10.896 1.00 0.68 C ATOM 1181 O GLY A 81 -5.722 -10.262 -10.062 1.00 0.80 O ATOM 0 H GLY A 81 -5.068 -9.162 -12.648 1.00 0.66 H new ATOM 0 HA2 GLY A 81 -7.278 -10.261 -12.241 1.00 0.69 H new ATOM 0 HA3 GLY A 81 -6.584 -11.760 -12.826 1.00 0.69 H new ATOM 1185 N SER A 82 -5.518 -12.388 -10.632 1.00 0.67 N ATOM 1186 CA SER A 82 -5.007 -12.774 -9.278 1.00 0.72 C ATOM 1187 C SER A 82 -3.540 -13.243 -9.363 1.00 0.69 C ATOM 1188 O SER A 82 -2.950 -13.603 -8.363 1.00 1.03 O ATOM 1189 CB SER A 82 -5.876 -13.903 -8.710 1.00 0.83 C ATOM 1190 OG SER A 82 -5.909 -14.990 -9.629 1.00 0.90 O ATOM 0 H SER A 82 -5.594 -13.157 -11.298 1.00 0.67 H new ATOM 0 HA SER A 82 -5.055 -11.904 -8.623 1.00 0.72 H new ATOM 0 HB2 SER A 82 -5.477 -14.236 -7.752 1.00 0.83 H new ATOM 0 HB3 SER A 82 -6.887 -13.539 -8.525 1.00 0.83 H new ATOM 0 HG SER A 82 -5.264 -14.829 -10.349 1.00 0.90 H new ATOM 1196 N GLU A 83 -2.947 -13.239 -10.538 1.00 0.65 N ATOM 1197 CA GLU A 83 -1.525 -13.687 -10.665 1.00 0.64 C ATOM 1198 C GLU A 83 -0.590 -12.517 -10.329 1.00 0.56 C ATOM 1199 O GLU A 83 -0.283 -11.691 -11.172 1.00 0.66 O ATOM 1200 CB GLU A 83 -1.262 -14.175 -12.096 1.00 0.76 C ATOM 1201 CG GLU A 83 -1.973 -15.515 -12.323 1.00 0.92 C ATOM 1202 CD GLU A 83 -3.348 -15.270 -12.956 1.00 1.34 C ATOM 1203 OE1 GLU A 83 -3.401 -15.102 -14.165 1.00 1.63 O ATOM 1204 OE2 GLU A 83 -4.324 -15.259 -12.223 1.00 1.57 O ATOM 0 H GLU A 83 -3.388 -12.945 -11.410 1.00 0.65 H new ATOM 0 HA GLU A 83 -1.338 -14.507 -9.972 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -1.619 -13.437 -12.814 1.00 0.76 H new ATOM 0 HB3 GLU A 83 -0.191 -14.288 -12.261 1.00 0.76 H new ATOM 0 HG2 GLU A 83 -1.371 -16.151 -12.972 1.00 0.92 H new ATOM 0 HG3 GLU A 83 -2.087 -16.042 -11.376 1.00 0.92 H new ATOM 1211 N LEU A 84 -0.145 -12.442 -9.095 1.00 0.50 N ATOM 1212 CA LEU A 84 0.765 -11.328 -8.678 1.00 0.46 C ATOM 1213 C LEU A 84 1.916 -11.877 -7.819 1.00 0.47 C ATOM 1214 O LEU A 84 1.887 -13.008 -7.363 1.00 0.54 O ATOM 1215 CB LEU A 84 -0.028 -10.297 -7.868 1.00 0.50 C ATOM 1216 CG LEU A 84 -1.038 -9.584 -8.776 1.00 0.50 C ATOM 1217 CD1 LEU A 84 -2.071 -8.851 -7.917 1.00 0.66 C ATOM 1218 CD2 LEU A 84 -0.306 -8.573 -9.662 1.00 0.54 C ATOM 0 H LEU A 84 -0.375 -13.108 -8.357 1.00 0.50 H new ATOM 0 HA LEU A 84 1.180 -10.857 -9.569 1.00 0.46 H new ATOM 0 HB2 LEU A 84 -0.549 -10.789 -7.047 1.00 0.50 H new ATOM 0 HB3 LEU A 84 0.652 -9.570 -7.424 1.00 0.50 H new ATOM 0 HG LEU A 84 -1.542 -10.320 -9.403 1.00 0.50 H new ATOM 0 HD11 LEU A 84 -2.788 -8.345 -8.563 1.00 0.66 H new ATOM 0 HD12 LEU A 84 -2.595 -9.569 -7.286 1.00 0.66 H new ATOM 0 HD13 LEU A 84 -1.567 -8.116 -7.289 1.00 0.66 H new ATOM 0 HD21 LEU A 84 -1.025 -8.067 -10.307 1.00 0.54 H new ATOM 0 HD22 LEU A 84 0.199 -7.838 -9.035 1.00 0.54 H new ATOM 0 HD23 LEU A 84 0.429 -9.093 -10.276 1.00 0.54 H new ATOM 1230 N ARG A 85 2.928 -11.070 -7.598 1.00 0.48 N ATOM 1231 CA ARG A 85 4.100 -11.505 -6.774 1.00 0.54 C ATOM 1232 C ARG A 85 4.718 -10.279 -6.090 1.00 0.56 C ATOM 1233 O ARG A 85 4.668 -9.178 -6.610 1.00 0.57 O ATOM 1234 CB ARG A 85 5.144 -12.171 -7.676 1.00 0.57 C ATOM 1235 CG ARG A 85 5.069 -13.692 -7.514 1.00 0.66 C ATOM 1236 CD ARG A 85 5.007 -14.356 -8.894 1.00 0.75 C ATOM 1237 NE ARG A 85 6.038 -15.430 -8.979 1.00 0.82 N ATOM 1238 CZ ARG A 85 6.319 -15.977 -10.133 1.00 1.16 C ATOM 1239 NH1 ARG A 85 7.142 -15.378 -10.956 1.00 1.45 N ATOM 1240 NH2 ARG A 85 5.777 -17.123 -10.462 1.00 1.59 N ATOM 0 H ARG A 85 2.991 -10.118 -7.958 1.00 0.48 H new ATOM 0 HA ARG A 85 3.771 -12.219 -6.019 1.00 0.54 H new ATOM 0 HB2 ARG A 85 4.968 -11.897 -8.716 1.00 0.57 H new ATOM 0 HB3 ARG A 85 6.142 -11.817 -7.417 1.00 0.57 H new ATOM 0 HG2 ARG A 85 5.939 -14.052 -6.965 1.00 0.66 H new ATOM 0 HG3 ARG A 85 4.189 -13.962 -6.930 1.00 0.66 H new ATOM 0 HD2 ARG A 85 4.015 -14.776 -9.063 1.00 0.75 H new ATOM 0 HD3 ARG A 85 5.176 -13.613 -9.674 1.00 0.75 H new ATOM 0 HE ARG A 85 6.524 -15.738 -8.137 1.00 0.82 H new ATOM 0 HH11 ARG A 85 7.563 -14.486 -10.697 1.00 1.45 H new ATOM 0 HH12 ARG A 85 7.362 -15.803 -11.857 1.00 1.45 H new ATOM 0 HH21 ARG A 85 5.137 -17.588 -9.818 1.00 1.59 H new ATOM 0 HH22 ARG A 85 5.995 -17.551 -11.362 1.00 1.59 H new ATOM 1254 N LEU A 86 5.297 -10.460 -4.926 1.00 0.62 N ATOM 1255 CA LEU A 86 5.912 -9.304 -4.203 1.00 0.66 C ATOM 1256 C LEU A 86 7.434 -9.310 -4.389 1.00 0.64 C ATOM 1257 O LEU A 86 8.090 -10.324 -4.217 1.00 0.71 O ATOM 1258 CB LEU A 86 5.576 -9.392 -2.711 1.00 0.79 C ATOM 1259 CG LEU A 86 5.873 -8.043 -2.049 1.00 0.85 C ATOM 1260 CD1 LEU A 86 4.610 -7.510 -1.367 1.00 0.86 C ATOM 1261 CD2 LEU A 86 6.979 -8.222 -1.008 1.00 0.97 C ATOM 0 H LEU A 86 5.369 -11.358 -4.447 1.00 0.62 H new ATOM 0 HA LEU A 86 5.510 -8.378 -4.613 1.00 0.66 H new ATOM 0 HB2 LEU A 86 4.526 -9.653 -2.577 1.00 0.79 H new ATOM 0 HB3 LEU A 86 6.163 -10.180 -2.239 1.00 0.79 H new ATOM 0 HG LEU A 86 6.197 -7.332 -2.809 1.00 0.85 H new ATOM 0 HD11 LEU A 86 4.827 -6.550 -0.898 1.00 0.86 H new ATOM 0 HD12 LEU A 86 3.822 -7.381 -2.109 1.00 0.86 H new ATOM 0 HD13 LEU A 86 4.280 -8.219 -0.607 1.00 0.86 H new ATOM 0 HD21 LEU A 86 7.192 -7.263 -0.535 1.00 0.97 H new ATOM 0 HD22 LEU A 86 6.654 -8.936 -0.251 1.00 0.97 H new ATOM 0 HD23 LEU A 86 7.880 -8.595 -1.495 1.00 0.97 H new ATOM 1273 N ILE A 87 7.991 -8.174 -4.736 1.00 0.60 N ATOM 1274 CA ILE A 87 9.470 -8.071 -4.938 1.00 0.62 C ATOM 1275 C ILE A 87 9.955 -6.705 -4.419 1.00 0.65 C ATOM 1276 O ILE A 87 9.373 -5.682 -4.735 1.00 0.65 O ATOM 1277 CB ILE A 87 9.790 -8.216 -6.437 1.00 0.58 C ATOM 1278 CG1 ILE A 87 11.297 -8.039 -6.665 1.00 0.67 C ATOM 1279 CG2 ILE A 87 9.024 -7.159 -7.242 1.00 0.59 C ATOM 1280 CD1 ILE A 87 11.682 -8.617 -8.030 1.00 0.74 C ATOM 0 H ILE A 87 7.478 -7.306 -4.889 1.00 0.60 H new ATOM 0 HA ILE A 87 9.979 -8.863 -4.389 1.00 0.62 H new ATOM 0 HB ILE A 87 9.486 -9.209 -6.769 1.00 0.58 H new ATOM 0 HG12 ILE A 87 11.560 -6.982 -6.619 1.00 0.67 H new ATOM 0 HG13 ILE A 87 11.856 -8.541 -5.875 1.00 0.67 H new ATOM 0 HG21 ILE A 87 9.257 -7.269 -8.301 1.00 0.59 H new ATOM 0 HG22 ILE A 87 7.953 -7.292 -7.090 1.00 0.59 H new ATOM 0 HG23 ILE A 87 9.317 -6.164 -6.908 1.00 0.59 H new ATOM 0 HD11 ILE A 87 12.753 -8.490 -8.190 1.00 0.74 H new ATOM 0 HD12 ILE A 87 11.434 -9.678 -8.059 1.00 0.74 H new ATOM 0 HD13 ILE A 87 11.134 -8.095 -8.814 1.00 0.74 H new ATOM 1292 N PRO A 88 11.011 -6.726 -3.631 1.00 0.76 N ATOM 1293 CA PRO A 88 11.595 -5.499 -3.050 1.00 0.84 C ATOM 1294 C PRO A 88 12.382 -4.713 -4.110 1.00 0.82 C ATOM 1295 O PRO A 88 13.170 -5.270 -4.855 1.00 0.93 O ATOM 1296 CB PRO A 88 12.511 -6.024 -1.940 1.00 1.06 C ATOM 1297 CG PRO A 88 12.833 -7.494 -2.298 1.00 1.12 C ATOM 1298 CD PRO A 88 11.721 -7.967 -3.252 1.00 0.92 C ATOM 0 HA PRO A 88 10.844 -4.804 -2.674 1.00 0.84 H new ATOM 0 HB2 PRO A 88 13.423 -5.431 -1.877 1.00 1.06 H new ATOM 0 HB3 PRO A 88 12.021 -5.959 -0.969 1.00 1.06 H new ATOM 0 HG2 PRO A 88 13.811 -7.572 -2.773 1.00 1.12 H new ATOM 0 HG3 PRO A 88 12.864 -8.113 -1.402 1.00 1.12 H new ATOM 0 HD2 PRO A 88 12.134 -8.471 -4.126 1.00 0.92 H new ATOM 0 HD3 PRO A 88 11.052 -8.674 -2.763 1.00 0.92 H new