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 61 THR OG1 : rot -150:sc= -0.494 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.135 K(o=-2.6,f=-12!) USER MOD Set 1.3: A 75 ASN : amide:sc= 0 X(o=-2.6,f=-2.6) USER MOD Set 1.4: A 79 LYS NZ :NH3+ -141:sc= 0.0979 (180deg=0) USER MOD Set 1.5: A 80 HIS : no HE2:sc= -2.35 K(o=-2.6,f=-4.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 170:sc= -0.471 USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0012 (180deg=-0.158) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 91:sc= -0.724 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.608 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 USER MOD Single : A 57 SER OG : rot -106:sc= 0.153 USER MOD Single : A 62 ASN : amide:sc= -0.0384 K(o=-0.038,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.39) USER MOD Single : A 82 SER OG : rot 69:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.189 -8.394 -6.403 1.00 0.83 N ATOM 136 CA LYS A 13 -14.894 -7.938 -5.802 1.00 0.70 C ATOM 137 C LYS A 13 -13.716 -8.584 -6.546 1.00 0.61 C ATOM 138 O LYS A 13 -13.814 -9.695 -7.037 1.00 0.69 O ATOM 139 CB LYS A 13 -14.837 -8.357 -4.328 1.00 0.73 C ATOM 140 CG LYS A 13 -15.855 -7.554 -3.518 1.00 0.90 C ATOM 141 CD LYS A 13 -15.632 -7.811 -2.024 1.00 1.00 C ATOM 142 CE LYS A 13 -15.097 -6.540 -1.359 1.00 1.14 C ATOM 143 NZ LYS A 13 -14.478 -6.876 -0.043 1.00 1.35 N ATOM 0 HA LYS A 13 -14.829 -6.853 -5.884 1.00 0.70 H new ATOM 0 HB2 LYS A 13 -15.046 -9.423 -4.236 1.00 0.73 H new ATOM 0 HB3 LYS A 13 -13.834 -8.193 -3.933 1.00 0.73 H new ATOM 0 HG2 LYS A 13 -15.752 -6.491 -3.735 1.00 0.90 H new ATOM 0 HG3 LYS A 13 -16.868 -7.840 -3.800 1.00 0.90 H new ATOM 0 HD2 LYS A 13 -16.567 -8.114 -1.553 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -14.926 -8.630 -1.887 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -14.360 -6.063 -2.006 1.00 1.14 H new ATOM 0 HE3 LYS A 13 -15.907 -5.825 -1.217 1.00 1.14 H new ATOM 0 HZ1 LYS A 13 -14.117 -6.008 0.403 1.00 1.35 H new ATOM 0 HZ2 LYS A 13 -15.192 -7.312 0.575 1.00 1.35 H new ATOM 0 HZ3 LYS A 13 -13.693 -7.543 -0.189 1.00 1.35 H new ATOM 157 N VAL A 14 -12.598 -7.896 -6.615 1.00 0.55 N ATOM 158 CA VAL A 14 -11.397 -8.462 -7.310 1.00 0.54 C ATOM 159 C VAL A 14 -10.437 -9.051 -6.266 1.00 0.51 C ATOM 160 O VAL A 14 -10.027 -8.380 -5.335 1.00 0.55 O ATOM 161 CB VAL A 14 -10.675 -7.369 -8.115 1.00 0.63 C ATOM 162 CG1 VAL A 14 -11.460 -7.065 -9.394 1.00 0.71 C ATOM 163 CG2 VAL A 14 -10.550 -6.088 -7.280 1.00 0.68 C ATOM 0 H VAL A 14 -12.467 -6.965 -6.219 1.00 0.55 H new ATOM 0 HA VAL A 14 -11.722 -9.243 -7.997 1.00 0.54 H new ATOM 0 HB VAL A 14 -9.678 -7.726 -8.372 1.00 0.63 H new ATOM 0 HG11 VAL A 14 -10.945 -6.290 -9.961 1.00 0.71 H new ATOM 0 HG12 VAL A 14 -11.534 -7.969 -9.999 1.00 0.71 H new ATOM 0 HG13 VAL A 14 -12.460 -6.720 -9.133 1.00 0.71 H new ATOM 0 HG21 VAL A 14 -10.037 -5.323 -7.862 1.00 0.68 H new ATOM 0 HG22 VAL A 14 -11.544 -5.732 -7.009 1.00 0.68 H new ATOM 0 HG23 VAL A 14 -9.980 -6.298 -6.375 1.00 0.68 H new ATOM 173 N THR A 15 -10.080 -10.305 -6.422 1.00 0.49 N ATOM 174 CA THR A 15 -9.146 -10.960 -5.449 1.00 0.49 C ATOM 175 C THR A 15 -7.726 -10.957 -6.027 1.00 0.47 C ATOM 176 O THR A 15 -7.530 -11.166 -7.212 1.00 0.54 O ATOM 177 CB THR A 15 -9.594 -12.407 -5.185 1.00 0.52 C ATOM 178 OG1 THR A 15 -10.138 -12.971 -6.374 1.00 1.09 O ATOM 179 CG2 THR A 15 -10.655 -12.420 -4.082 1.00 0.87 C ATOM 0 H THR A 15 -10.396 -10.905 -7.184 1.00 0.49 H new ATOM 0 HA THR A 15 -9.159 -10.408 -4.509 1.00 0.49 H new ATOM 0 HB THR A 15 -8.733 -12.996 -4.871 1.00 0.52 H new ATOM 0 HG1 THR A 15 -10.420 -13.893 -6.199 1.00 1.09 H new ATOM 0 HG21 THR A 15 -10.973 -13.446 -3.895 1.00 0.87 H new ATOM 0 HG22 THR A 15 -10.236 -11.998 -3.169 1.00 0.87 H new ATOM 0 HG23 THR A 15 -11.513 -11.826 -4.396 1.00 0.87 H new ATOM 187 N PHE A 16 -6.735 -10.709 -5.201 1.00 0.47 N ATOM 188 CA PHE A 16 -5.326 -10.679 -5.701 1.00 0.46 C ATOM 189 C PHE A 16 -4.468 -11.679 -4.921 1.00 0.45 C ATOM 190 O PHE A 16 -4.514 -11.747 -3.707 1.00 0.55 O ATOM 191 CB PHE A 16 -4.750 -9.271 -5.536 1.00 0.49 C ATOM 192 CG PHE A 16 -5.604 -8.282 -6.296 1.00 0.49 C ATOM 193 CD1 PHE A 16 -5.600 -8.288 -7.698 1.00 0.59 C ATOM 194 CD2 PHE A 16 -6.403 -7.364 -5.604 1.00 0.57 C ATOM 195 CE1 PHE A 16 -6.392 -7.376 -8.404 1.00 0.66 C ATOM 196 CE2 PHE A 16 -7.194 -6.452 -6.311 1.00 0.65 C ATOM 197 CZ PHE A 16 -7.188 -6.459 -7.711 1.00 0.65 C ATOM 0 H PHE A 16 -6.843 -10.526 -4.203 1.00 0.47 H new ATOM 0 HA PHE A 16 -5.320 -10.953 -6.756 1.00 0.46 H new ATOM 0 HB2 PHE A 16 -4.717 -9.002 -4.480 1.00 0.49 H new ATOM 0 HB3 PHE A 16 -3.725 -9.241 -5.905 1.00 0.49 H new ATOM 0 HD1 PHE A 16 -4.985 -8.997 -8.233 1.00 0.59 H new ATOM 0 HD2 PHE A 16 -6.409 -7.360 -4.524 1.00 0.57 H new ATOM 0 HE1 PHE A 16 -6.388 -7.380 -9.484 1.00 0.66 H new ATOM 0 HE2 PHE A 16 -7.809 -5.743 -5.777 1.00 0.65 H new ATOM 0 HZ PHE A 16 -7.799 -5.755 -8.256 1.00 0.65 H new ATOM 207 N LYS A 17 -3.680 -12.446 -5.630 1.00 0.44 N ATOM 208 CA LYS A 17 -2.791 -13.455 -4.979 1.00 0.44 C ATOM 209 C LYS A 17 -1.332 -13.044 -5.201 1.00 0.41 C ATOM 210 O LYS A 17 -0.828 -13.102 -6.306 1.00 0.50 O ATOM 211 CB LYS A 17 -3.041 -14.832 -5.608 1.00 0.48 C ATOM 212 CG LYS A 17 -3.020 -15.908 -4.520 1.00 0.91 C ATOM 213 CD LYS A 17 -2.943 -17.293 -5.169 1.00 1.46 C ATOM 214 CE LYS A 17 -2.558 -18.333 -4.113 1.00 2.05 C ATOM 215 NZ LYS A 17 -1.915 -19.506 -4.772 1.00 2.40 N ATOM 0 H LYS A 17 -3.614 -12.415 -6.647 1.00 0.44 H new ATOM 0 HA LYS A 17 -3.001 -13.505 -3.911 1.00 0.44 H new ATOM 0 HB2 LYS A 17 -4.003 -14.839 -6.121 1.00 0.48 H new ATOM 0 HB3 LYS A 17 -2.278 -15.044 -6.357 1.00 0.48 H new ATOM 0 HG2 LYS A 17 -2.165 -15.756 -3.861 1.00 0.91 H new ATOM 0 HG3 LYS A 17 -3.916 -15.833 -3.903 1.00 0.91 H new ATOM 0 HD2 LYS A 17 -3.904 -17.551 -5.615 1.00 1.46 H new ATOM 0 HD3 LYS A 17 -2.209 -17.288 -5.974 1.00 1.46 H new ATOM 0 HE2 LYS A 17 -1.875 -17.892 -3.387 1.00 2.05 H new ATOM 0 HE3 LYS A 17 -3.444 -18.653 -3.564 1.00 2.05 H new ATOM 0 HZ1 LYS A 17 -1.655 -20.210 -4.052 1.00 2.40 H new ATOM 0 HZ2 LYS A 17 -2.580 -19.932 -5.448 1.00 2.40 H new ATOM 0 HZ3 LYS A 17 -1.060 -19.195 -5.277 1.00 2.40 H new ATOM 229 N ILE A 18 -0.654 -12.619 -4.163 1.00 0.39 N ATOM 230 CA ILE A 18 0.769 -12.192 -4.320 1.00 0.39 C ATOM 231 C ILE A 18 1.686 -13.116 -3.507 1.00 0.40 C ATOM 232 O ILE A 18 1.481 -13.324 -2.325 1.00 0.49 O ATOM 233 CB ILE A 18 0.929 -10.746 -3.831 1.00 0.43 C ATOM 234 CG1 ILE A 18 -0.064 -9.830 -4.558 1.00 0.47 C ATOM 235 CG2 ILE A 18 2.351 -10.266 -4.117 1.00 0.53 C ATOM 236 CD1 ILE A 18 -1.121 -9.333 -3.571 1.00 0.61 C ATOM 0 H ILE A 18 -1.025 -12.550 -3.215 1.00 0.39 H new ATOM 0 HA ILE A 18 1.046 -12.252 -5.373 1.00 0.39 H new ATOM 0 HB ILE A 18 0.733 -10.712 -2.759 1.00 0.43 H new ATOM 0 HG12 ILE A 18 0.462 -8.984 -4.999 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -0.541 -10.370 -5.376 1.00 0.47 H new ATOM 0 HG21 ILE A 18 2.465 -9.239 -3.770 1.00 0.53 H new ATOM 0 HG22 ILE A 18 3.063 -10.906 -3.596 1.00 0.53 H new ATOM 0 HG23 ILE A 18 2.541 -10.310 -5.189 1.00 0.53 H new ATOM 0 HD11 ILE A 18 -1.825 -8.682 -4.089 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -1.655 -10.185 -3.151 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -0.636 -8.777 -2.768 1.00 0.61 H new ATOM 248 N THR A 19 2.700 -13.660 -4.141 1.00 0.42 N ATOM 249 CA THR A 19 3.659 -14.565 -3.427 1.00 0.45 C ATOM 250 C THR A 19 5.032 -13.884 -3.360 1.00 0.45 C ATOM 251 O THR A 19 5.558 -13.437 -4.364 1.00 0.47 O ATOM 252 CB THR A 19 3.781 -15.901 -4.178 1.00 0.46 C ATOM 253 OG1 THR A 19 3.998 -15.658 -5.564 1.00 0.57 O ATOM 254 CG2 THR A 19 2.498 -16.716 -3.997 1.00 0.54 C ATOM 0 H THR A 19 2.905 -13.514 -5.129 1.00 0.42 H new ATOM 0 HA THR A 19 3.293 -14.760 -2.419 1.00 0.45 H new ATOM 0 HB THR A 19 4.625 -16.460 -3.774 1.00 0.46 H new ATOM 0 HG1 THR A 19 4.235 -16.498 -6.010 1.00 0.57 H new ATOM 0 HG21 THR A 19 2.589 -17.662 -4.531 1.00 0.54 H new ATOM 0 HG22 THR A 19 2.338 -16.912 -2.937 1.00 0.54 H new ATOM 0 HG23 THR A 19 1.652 -16.155 -4.394 1.00 0.54 H new ATOM 407 N LYS A 29 -0.387 -14.216 -0.382 1.00 0.59 N ATOM 408 CA LYS A 29 -1.288 -13.221 0.278 1.00 0.60 C ATOM 409 C LYS A 29 -2.557 -13.036 -0.565 1.00 0.55 C ATOM 410 O LYS A 29 -2.494 -12.650 -1.720 1.00 0.55 O ATOM 411 CB LYS A 29 -0.560 -11.875 0.405 1.00 0.65 C ATOM 412 CG LYS A 29 -0.896 -11.226 1.753 1.00 0.69 C ATOM 413 CD LYS A 29 -2.129 -10.333 1.600 1.00 0.65 C ATOM 414 CE LYS A 29 -2.415 -9.617 2.924 1.00 0.89 C ATOM 415 NZ LYS A 29 -3.862 -9.741 3.261 1.00 1.03 N ATOM 0 HA LYS A 29 -1.560 -13.583 1.269 1.00 0.60 H new ATOM 0 HB2 LYS A 29 0.516 -12.024 0.322 1.00 0.65 H new ATOM 0 HB3 LYS A 29 -0.854 -11.214 -0.410 1.00 0.65 H new ATOM 0 HG2 LYS A 29 -1.083 -11.996 2.502 1.00 0.69 H new ATOM 0 HG3 LYS A 29 -0.049 -10.637 2.105 1.00 0.69 H new ATOM 0 HD2 LYS A 29 -1.965 -9.602 0.808 1.00 0.65 H new ATOM 0 HD3 LYS A 29 -2.990 -10.933 1.306 1.00 0.65 H new ATOM 0 HE2 LYS A 29 -1.808 -10.048 3.720 1.00 0.89 H new ATOM 0 HE3 LYS A 29 -2.139 -8.565 2.847 1.00 0.89 H new ATOM 0 HZ1 LYS A 29 -4.004 -9.519 4.267 1.00 1.03 H new ATOM 0 HZ2 LYS A 29 -4.412 -9.078 2.679 1.00 1.03 H new ATOM 0 HZ3 LYS A 29 -4.180 -10.713 3.073 1.00 1.03 H new ATOM 429 N VAL A 30 -3.707 -13.302 0.010 1.00 0.57 N ATOM 430 CA VAL A 30 -4.992 -13.138 -0.741 1.00 0.56 C ATOM 431 C VAL A 30 -5.633 -11.802 -0.338 1.00 0.54 C ATOM 432 O VAL A 30 -5.931 -11.575 0.822 1.00 0.63 O ATOM 433 CB VAL A 30 -5.943 -14.298 -0.399 1.00 0.65 C ATOM 434 CG1 VAL A 30 -7.217 -14.194 -1.246 1.00 0.74 C ATOM 435 CG2 VAL A 30 -5.252 -15.637 -0.690 1.00 0.69 C ATOM 0 H VAL A 30 -3.810 -13.627 0.971 1.00 0.57 H new ATOM 0 HA VAL A 30 -4.799 -13.145 -1.814 1.00 0.56 H new ATOM 0 HB VAL A 30 -6.203 -14.242 0.658 1.00 0.65 H new ATOM 0 HG11 VAL A 30 -7.886 -15.018 -0.999 1.00 0.74 H new ATOM 0 HG12 VAL A 30 -7.716 -13.247 -1.039 1.00 0.74 H new ATOM 0 HG13 VAL A 30 -6.956 -14.243 -2.303 1.00 0.74 H new ATOM 0 HG21 VAL A 30 -5.929 -16.456 -0.447 1.00 0.69 H new ATOM 0 HG22 VAL A 30 -4.986 -15.687 -1.746 1.00 0.69 H new ATOM 0 HG23 VAL A 30 -4.349 -15.720 -0.084 1.00 0.69 H new ATOM 445 N LEU A 31 -5.835 -10.915 -1.286 1.00 0.50 N ATOM 446 CA LEU A 31 -6.445 -9.586 -0.965 1.00 0.50 C ATOM 447 C LEU A 31 -7.787 -9.435 -1.695 1.00 0.51 C ATOM 448 O LEU A 31 -7.834 -9.285 -2.904 1.00 0.55 O ATOM 449 CB LEU A 31 -5.489 -8.468 -1.402 1.00 0.49 C ATOM 450 CG LEU A 31 -4.621 -8.040 -0.214 1.00 0.66 C ATOM 451 CD1 LEU A 31 -3.182 -7.819 -0.685 1.00 0.80 C ATOM 452 CD2 LEU A 31 -5.169 -6.738 0.381 1.00 0.98 C ATOM 0 H LEU A 31 -5.603 -11.056 -2.269 1.00 0.50 H new ATOM 0 HA LEU A 31 -6.617 -9.519 0.109 1.00 0.50 H new ATOM 0 HB2 LEU A 31 -4.858 -8.815 -2.220 1.00 0.49 H new ATOM 0 HB3 LEU A 31 -6.057 -7.616 -1.776 1.00 0.49 H new ATOM 0 HG LEU A 31 -4.639 -8.821 0.546 1.00 0.66 H new ATOM 0 HD11 LEU A 31 -2.565 -7.515 0.161 1.00 0.80 H new ATOM 0 HD12 LEU A 31 -2.790 -8.745 -1.105 1.00 0.80 H new ATOM 0 HD13 LEU A 31 -3.164 -7.039 -1.447 1.00 0.80 H new ATOM 0 HD21 LEU A 31 -4.550 -6.435 1.226 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -5.154 -5.956 -0.378 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -6.193 -6.895 0.719 1.00 0.98 H new ATOM 464 N SER A 32 -8.875 -9.466 -0.960 1.00 0.55 N ATOM 465 CA SER A 32 -10.225 -9.318 -1.588 1.00 0.59 C ATOM 466 C SER A 32 -10.717 -7.878 -1.391 1.00 0.60 C ATOM 467 O SER A 32 -11.006 -7.458 -0.283 1.00 0.67 O ATOM 468 CB SER A 32 -11.208 -10.294 -0.933 1.00 0.69 C ATOM 469 OG SER A 32 -12.147 -10.739 -1.902 1.00 1.30 O ATOM 0 H SER A 32 -8.884 -9.588 0.053 1.00 0.55 H new ATOM 0 HA SER A 32 -10.160 -9.539 -2.653 1.00 0.59 H new ATOM 0 HB2 SER A 32 -10.669 -11.144 -0.515 1.00 0.69 H new ATOM 0 HB3 SER A 32 -11.725 -9.807 -0.106 1.00 0.69 H new ATOM 0 HG SER A 32 -12.776 -11.365 -1.485 1.00 1.30 H new ATOM 475 N VAL A 33 -10.809 -7.122 -2.459 1.00 0.56 N ATOM 476 CA VAL A 33 -11.279 -5.702 -2.351 1.00 0.59 C ATOM 477 C VAL A 33 -12.246 -5.385 -3.503 1.00 0.62 C ATOM 478 O VAL A 33 -12.236 -6.052 -4.521 1.00 0.61 O ATOM 479 CB VAL A 33 -10.078 -4.743 -2.413 1.00 0.57 C ATOM 480 CG1 VAL A 33 -9.284 -4.825 -1.108 1.00 0.65 C ATOM 481 CG2 VAL A 33 -9.165 -5.112 -3.590 1.00 0.57 C ATOM 0 H VAL A 33 -10.578 -7.427 -3.404 1.00 0.56 H new ATOM 0 HA VAL A 33 -11.793 -5.572 -1.399 1.00 0.59 H new ATOM 0 HB VAL A 33 -10.447 -3.727 -2.553 1.00 0.57 H new ATOM 0 HG11 VAL A 33 -8.434 -4.144 -1.156 1.00 0.65 H new ATOM 0 HG12 VAL A 33 -9.926 -4.545 -0.273 1.00 0.65 H new ATOM 0 HG13 VAL A 33 -8.925 -5.844 -0.964 1.00 0.65 H new ATOM 0 HG21 VAL A 33 -8.319 -4.426 -3.623 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -8.801 -6.131 -3.462 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -9.726 -5.041 -4.522 1.00 0.57 H new ATOM 491 N PRO A 34 -13.055 -4.365 -3.305 1.00 0.68 N ATOM 492 CA PRO A 34 -14.044 -3.922 -4.308 1.00 0.73 C ATOM 493 C PRO A 34 -13.361 -3.137 -5.438 1.00 0.71 C ATOM 494 O PRO A 34 -12.312 -2.539 -5.246 1.00 0.69 O ATOM 495 CB PRO A 34 -14.989 -3.020 -3.508 1.00 0.83 C ATOM 496 CG PRO A 34 -14.197 -2.545 -2.268 1.00 0.83 C ATOM 497 CD PRO A 34 -13.056 -3.558 -2.063 1.00 0.73 C ATOM 0 HA PRO A 34 -14.560 -4.752 -4.791 1.00 0.73 H new ATOM 0 HB2 PRO A 34 -15.316 -2.171 -4.108 1.00 0.83 H new ATOM 0 HB3 PRO A 34 -15.886 -3.564 -3.211 1.00 0.83 H new ATOM 0 HG2 PRO A 34 -13.801 -1.541 -2.422 1.00 0.83 H new ATOM 0 HG3 PRO A 34 -14.841 -2.503 -1.389 1.00 0.83 H new ATOM 0 HD2 PRO A 34 -12.100 -3.056 -1.914 1.00 0.73 H new ATOM 0 HD3 PRO A 34 -13.229 -4.180 -1.185 1.00 0.73 H new ATOM 505 N GLU A 35 -13.957 -3.139 -6.612 1.00 0.74 N ATOM 506 CA GLU A 35 -13.369 -2.401 -7.775 1.00 0.76 C ATOM 507 C GLU A 35 -13.402 -0.896 -7.484 1.00 0.82 C ATOM 508 O GLU A 35 -14.307 -0.183 -7.887 1.00 0.92 O ATOM 509 CB GLU A 35 -14.173 -2.713 -9.045 1.00 0.82 C ATOM 510 CG GLU A 35 -13.700 -4.045 -9.636 1.00 0.69 C ATOM 511 CD GLU A 35 -14.637 -5.172 -9.185 1.00 0.67 C ATOM 512 OE1 GLU A 35 -14.389 -5.738 -8.132 1.00 0.74 O ATOM 513 OE2 GLU A 35 -15.584 -5.451 -9.901 1.00 0.87 O ATOM 0 H GLU A 35 -14.831 -3.625 -6.812 1.00 0.74 H new ATOM 0 HA GLU A 35 -12.337 -2.715 -7.928 1.00 0.76 H new ATOM 0 HB2 GLU A 35 -15.236 -2.764 -8.811 1.00 0.82 H new ATOM 0 HB3 GLU A 35 -14.045 -1.913 -9.775 1.00 0.82 H new ATOM 0 HG2 GLU A 35 -13.684 -3.986 -10.724 1.00 0.69 H new ATOM 0 HG3 GLU A 35 -12.680 -4.256 -9.313 1.00 0.69 H new ATOM 520 N SER A 36 -12.414 -0.424 -6.768 1.00 0.78 N ATOM 521 CA SER A 36 -12.334 1.024 -6.398 1.00 0.86 C ATOM 522 C SER A 36 -11.068 1.257 -5.563 1.00 0.77 C ATOM 523 O SER A 36 -10.401 2.266 -5.707 1.00 0.79 O ATOM 524 CB SER A 36 -13.567 1.430 -5.577 1.00 0.96 C ATOM 525 OG SER A 36 -13.796 0.472 -4.548 1.00 0.94 O ATOM 0 H SER A 36 -11.643 -0.992 -6.417 1.00 0.78 H new ATOM 0 HA SER A 36 -12.300 1.626 -7.306 1.00 0.86 H new ATOM 0 HB2 SER A 36 -13.416 2.417 -5.141 1.00 0.96 H new ATOM 0 HB3 SER A 36 -14.441 1.498 -6.225 1.00 0.96 H new ATOM 0 HG SER A 36 -14.582 0.735 -4.025 1.00 0.94 H new ATOM 531 N THR A 37 -10.736 0.324 -4.691 1.00 0.68 N ATOM 532 CA THR A 37 -9.511 0.473 -3.841 1.00 0.60 C ATOM 533 C THR A 37 -8.267 0.563 -4.743 1.00 0.56 C ATOM 534 O THR A 37 -8.175 -0.134 -5.736 1.00 0.61 O ATOM 535 CB THR A 37 -9.377 -0.737 -2.904 1.00 0.59 C ATOM 536 OG1 THR A 37 -9.541 -1.940 -3.648 1.00 0.62 O ATOM 537 CG2 THR A 37 -10.443 -0.659 -1.806 1.00 0.67 C ATOM 0 H THR A 37 -11.265 -0.534 -4.535 1.00 0.68 H new ATOM 0 HA THR A 37 -9.596 1.382 -3.245 1.00 0.60 H new ATOM 0 HB THR A 37 -8.388 -0.730 -2.446 1.00 0.59 H new ATOM 0 HG1 THR A 37 -8.668 -2.248 -3.968 1.00 0.62 H new ATOM 0 HG21 THR A 37 -10.346 -1.518 -1.143 1.00 0.67 H new ATOM 0 HG22 THR A 37 -10.309 0.259 -1.233 1.00 0.67 H new ATOM 0 HG23 THR A 37 -11.434 -0.661 -2.260 1.00 0.67 H new ATOM 545 N PRO A 38 -7.350 1.428 -4.371 1.00 0.51 N ATOM 546 CA PRO A 38 -6.100 1.642 -5.130 1.00 0.52 C ATOM 547 C PRO A 38 -5.081 0.525 -4.859 1.00 0.47 C ATOM 548 O PRO A 38 -5.075 -0.094 -3.803 1.00 0.45 O ATOM 549 CB PRO A 38 -5.587 2.985 -4.604 1.00 0.55 C ATOM 550 CG PRO A 38 -6.228 3.182 -3.209 1.00 0.54 C ATOM 551 CD PRO A 38 -7.469 2.272 -3.162 1.00 0.52 C ATOM 0 HA PRO A 38 -6.259 1.636 -6.208 1.00 0.52 H new ATOM 0 HB2 PRO A 38 -4.499 2.985 -4.535 1.00 0.55 H new ATOM 0 HB3 PRO A 38 -5.864 3.797 -5.277 1.00 0.55 H new ATOM 0 HG2 PRO A 38 -5.525 2.919 -2.419 1.00 0.54 H new ATOM 0 HG3 PRO A 38 -6.506 4.225 -3.054 1.00 0.54 H new ATOM 0 HD2 PRO A 38 -7.485 1.668 -2.255 1.00 0.52 H new ATOM 0 HD3 PRO A 38 -8.390 2.855 -3.173 1.00 0.52 H new ATOM 559 N PHE A 39 -4.205 0.279 -5.809 1.00 0.49 N ATOM 560 CA PHE A 39 -3.164 -0.778 -5.633 1.00 0.46 C ATOM 561 C PHE A 39 -2.188 -0.364 -4.520 1.00 0.42 C ATOM 562 O PHE A 39 -1.477 -1.190 -3.985 1.00 0.41 O ATOM 563 CB PHE A 39 -2.401 -0.980 -6.949 1.00 0.52 C ATOM 564 CG PHE A 39 -1.880 -2.399 -7.027 1.00 0.46 C ATOM 565 CD1 PHE A 39 -2.757 -3.482 -6.866 1.00 0.50 C ATOM 566 CD2 PHE A 39 -0.519 -2.631 -7.263 1.00 0.51 C ATOM 567 CE1 PHE A 39 -2.271 -4.793 -6.942 1.00 0.52 C ATOM 568 CE2 PHE A 39 -0.034 -3.942 -7.337 1.00 0.54 C ATOM 569 CZ PHE A 39 -0.910 -5.023 -7.177 1.00 0.52 C ATOM 0 H PHE A 39 -4.170 0.770 -6.702 1.00 0.49 H new ATOM 0 HA PHE A 39 -3.647 -1.715 -5.354 1.00 0.46 H new ATOM 0 HB2 PHE A 39 -3.057 -0.777 -7.795 1.00 0.52 H new ATOM 0 HB3 PHE A 39 -1.572 -0.275 -7.012 1.00 0.52 H new ATOM 0 HD1 PHE A 39 -3.807 -3.305 -6.684 1.00 0.50 H new ATOM 0 HD2 PHE A 39 0.157 -1.798 -7.388 1.00 0.51 H new ATOM 0 HE1 PHE A 39 -2.946 -5.627 -6.819 1.00 0.52 H new ATOM 0 HE2 PHE A 39 1.016 -4.120 -7.517 1.00 0.54 H new ATOM 0 HZ PHE A 39 -0.536 -6.034 -7.235 1.00 0.52 H new ATOM 579 N THR A 40 -2.162 0.904 -4.156 1.00 0.43 N ATOM 580 CA THR A 40 -1.251 1.360 -3.057 1.00 0.44 C ATOM 581 C THR A 40 -1.647 0.640 -1.764 1.00 0.39 C ATOM 582 O THR A 40 -0.808 0.126 -1.049 1.00 0.43 O ATOM 583 CB THR A 40 -1.385 2.879 -2.846 1.00 0.50 C ATOM 584 OG1 THR A 40 -2.720 3.292 -3.113 1.00 0.91 O ATOM 585 CG2 THR A 40 -0.428 3.616 -3.779 1.00 1.01 C ATOM 0 H THR A 40 -2.733 1.638 -4.575 1.00 0.43 H new ATOM 0 HA THR A 40 -0.220 1.130 -3.325 1.00 0.44 H new ATOM 0 HB THR A 40 -1.137 3.115 -1.811 1.00 0.50 H new ATOM 0 HG1 THR A 40 -2.797 4.259 -2.975 1.00 0.91 H new ATOM 0 HG21 THR A 40 -0.526 4.691 -3.626 1.00 1.01 H new ATOM 0 HG22 THR A 40 0.596 3.311 -3.564 1.00 1.01 H new ATOM 0 HG23 THR A 40 -0.670 3.373 -4.814 1.00 1.01 H new ATOM 593 N ALA A 41 -2.930 0.594 -1.476 1.00 0.39 N ATOM 594 CA ALA A 41 -3.412 -0.098 -0.243 1.00 0.42 C ATOM 595 C ALA A 41 -3.284 -1.616 -0.426 1.00 0.40 C ATOM 596 O ALA A 41 -2.904 -2.323 0.489 1.00 0.44 O ATOM 597 CB ALA A 41 -4.878 0.266 0.010 1.00 0.52 C ATOM 0 H ALA A 41 -3.664 1.010 -2.049 1.00 0.39 H new ATOM 0 HA ALA A 41 -2.810 0.217 0.609 1.00 0.42 H new ATOM 0 HB1 ALA A 41 -5.228 -0.240 0.910 1.00 0.52 H new ATOM 0 HB2 ALA A 41 -4.968 1.344 0.141 1.00 0.52 H new ATOM 0 HB3 ALA A 41 -5.483 -0.047 -0.841 1.00 0.52 H new ATOM 603 N VAL A 42 -3.593 -2.119 -1.606 1.00 0.42 N ATOM 604 CA VAL A 42 -3.481 -3.596 -1.858 1.00 0.43 C ATOM 605 C VAL A 42 -2.021 -4.034 -1.668 1.00 0.39 C ATOM 606 O VAL A 42 -1.737 -4.979 -0.955 1.00 0.44 O ATOM 607 CB VAL A 42 -3.936 -3.914 -3.290 1.00 0.49 C ATOM 608 CG1 VAL A 42 -3.772 -5.412 -3.562 1.00 0.57 C ATOM 609 CG2 VAL A 42 -5.410 -3.529 -3.460 1.00 0.61 C ATOM 0 H VAL A 42 -3.917 -1.570 -2.402 1.00 0.42 H new ATOM 0 HA VAL A 42 -4.117 -4.134 -1.155 1.00 0.43 H new ATOM 0 HB VAL A 42 -3.327 -3.346 -3.993 1.00 0.49 H new ATOM 0 HG11 VAL A 42 -4.096 -5.635 -4.579 1.00 0.57 H new ATOM 0 HG12 VAL A 42 -2.725 -5.690 -3.445 1.00 0.57 H new ATOM 0 HG13 VAL A 42 -4.379 -5.979 -2.856 1.00 0.57 H new ATOM 0 HG21 VAL A 42 -5.730 -3.756 -4.477 1.00 0.61 H new ATOM 0 HG22 VAL A 42 -6.018 -4.095 -2.754 1.00 0.61 H new ATOM 0 HG23 VAL A 42 -5.532 -2.463 -3.270 1.00 0.61 H new ATOM 619 N LEU A 43 -1.099 -3.339 -2.296 1.00 0.37 N ATOM 620 CA LEU A 43 0.352 -3.685 -2.160 1.00 0.37 C ATOM 621 C LEU A 43 0.786 -3.516 -0.696 1.00 0.36 C ATOM 622 O LEU A 43 1.612 -4.259 -0.201 1.00 0.40 O ATOM 623 CB LEU A 43 1.181 -2.749 -3.049 1.00 0.40 C ATOM 624 CG LEU A 43 2.600 -3.307 -3.216 1.00 0.46 C ATOM 625 CD1 LEU A 43 3.036 -3.171 -4.677 1.00 0.54 C ATOM 626 CD2 LEU A 43 3.569 -2.527 -2.319 1.00 0.58 C ATOM 0 H LEU A 43 -1.293 -2.541 -2.901 1.00 0.37 H new ATOM 0 HA LEU A 43 0.511 -4.719 -2.467 1.00 0.37 H new ATOM 0 HB2 LEU A 43 0.705 -2.644 -4.024 1.00 0.40 H new ATOM 0 HB3 LEU A 43 1.222 -1.754 -2.605 1.00 0.40 H new ATOM 0 HG LEU A 43 2.609 -4.359 -2.931 1.00 0.46 H new ATOM 0 HD11 LEU A 43 4.044 -3.568 -4.794 1.00 0.54 H new ATOM 0 HD12 LEU A 43 2.350 -3.729 -5.315 1.00 0.54 H new ATOM 0 HD13 LEU A 43 3.024 -2.119 -4.964 1.00 0.54 H new ATOM 0 HD21 LEU A 43 4.577 -2.925 -2.439 1.00 0.58 H new ATOM 0 HD22 LEU A 43 3.559 -1.474 -2.601 1.00 0.58 H new ATOM 0 HD23 LEU A 43 3.261 -2.627 -1.278 1.00 0.58 H new ATOM 638 N LYS A 44 0.234 -2.538 -0.010 1.00 0.38 N ATOM 639 CA LYS A 44 0.602 -2.303 1.421 1.00 0.41 C ATOM 640 C LYS A 44 0.191 -3.513 2.271 1.00 0.42 C ATOM 641 O LYS A 44 0.978 -4.027 3.043 1.00 0.48 O ATOM 642 CB LYS A 44 -0.120 -1.051 1.936 1.00 0.46 C ATOM 643 CG LYS A 44 0.904 -0.032 2.437 1.00 0.77 C ATOM 644 CD LYS A 44 0.177 1.214 2.951 1.00 1.57 C ATOM 645 CE LYS A 44 1.181 2.360 3.101 1.00 2.06 C ATOM 646 NZ LYS A 44 1.234 3.153 1.835 1.00 2.85 N ATOM 0 H LYS A 44 -0.459 -1.891 -0.385 1.00 0.38 H new ATOM 0 HA LYS A 44 1.680 -2.161 1.494 1.00 0.41 H new ATOM 0 HB2 LYS A 44 -0.722 -0.614 1.140 1.00 0.46 H new ATOM 0 HB3 LYS A 44 -0.803 -1.320 2.741 1.00 0.46 H new ATOM 0 HG2 LYS A 44 1.507 -0.468 3.233 1.00 0.77 H new ATOM 0 HG3 LYS A 44 1.587 0.239 1.632 1.00 0.77 H new ATOM 0 HD2 LYS A 44 -0.616 1.498 2.259 1.00 1.57 H new ATOM 0 HD3 LYS A 44 -0.297 1.003 3.909 1.00 1.57 H new ATOM 0 HE2 LYS A 44 0.892 3.003 3.932 1.00 2.06 H new ATOM 0 HE3 LYS A 44 2.169 1.963 3.334 1.00 2.06 H new ATOM 0 HZ1 LYS A 44 1.917 3.930 1.941 1.00 2.85 H new ATOM 0 HZ2 LYS A 44 1.530 2.537 1.051 1.00 2.85 H new ATOM 0 HZ3 LYS A 44 0.292 3.545 1.631 1.00 2.85 H new ATOM 660 N PHE A 45 -1.035 -3.967 2.132 1.00 0.43 N ATOM 661 CA PHE A 45 -1.507 -5.144 2.928 1.00 0.48 C ATOM 662 C PHE A 45 -0.662 -6.381 2.592 1.00 0.47 C ATOM 663 O PHE A 45 -0.271 -7.126 3.474 1.00 0.54 O ATOM 664 CB PHE A 45 -2.977 -5.424 2.600 1.00 0.56 C ATOM 665 CG PHE A 45 -3.855 -4.811 3.664 1.00 0.78 C ATOM 666 CD1 PHE A 45 -4.160 -5.536 4.823 1.00 1.20 C ATOM 667 CD2 PHE A 45 -4.367 -3.518 3.494 1.00 1.11 C ATOM 668 CE1 PHE A 45 -4.974 -4.970 5.809 1.00 1.55 C ATOM 669 CE2 PHE A 45 -5.182 -2.953 4.480 1.00 1.46 C ATOM 670 CZ PHE A 45 -5.485 -3.679 5.639 1.00 1.57 C ATOM 0 H PHE A 45 -1.729 -3.570 1.499 1.00 0.43 H new ATOM 0 HA PHE A 45 -1.404 -4.921 3.990 1.00 0.48 H new ATOM 0 HB2 PHE A 45 -3.228 -5.010 1.623 1.00 0.56 H new ATOM 0 HB3 PHE A 45 -3.150 -6.499 2.545 1.00 0.56 H new ATOM 0 HD1 PHE A 45 -3.766 -6.533 4.955 1.00 1.20 H new ATOM 0 HD2 PHE A 45 -4.132 -2.957 2.601 1.00 1.11 H new ATOM 0 HE1 PHE A 45 -5.208 -5.530 6.702 1.00 1.55 H new ATOM 0 HE2 PHE A 45 -5.578 -1.957 4.348 1.00 1.46 H new ATOM 0 HZ PHE A 45 -6.113 -3.242 6.401 1.00 1.57 H new ATOM 680 N ALA A 46 -0.375 -6.600 1.327 1.00 0.45 N ATOM 681 CA ALA A 46 0.449 -7.783 0.926 1.00 0.48 C ATOM 682 C ALA A 46 1.860 -7.649 1.514 1.00 0.47 C ATOM 683 O ALA A 46 2.403 -8.592 2.060 1.00 0.54 O ATOM 684 CB ALA A 46 0.533 -7.856 -0.602 1.00 0.50 C ATOM 0 H ALA A 46 -0.678 -6.007 0.555 1.00 0.45 H new ATOM 0 HA ALA A 46 -0.015 -8.693 1.306 1.00 0.48 H new ATOM 0 HB1 ALA A 46 1.133 -8.718 -0.893 1.00 0.50 H new ATOM 0 HB2 ALA A 46 -0.470 -7.956 -1.017 1.00 0.50 H new ATOM 0 HB3 ALA A 46 0.995 -6.946 -0.985 1.00 0.50 H new ATOM 690 N ALA A 47 2.451 -6.478 1.411 1.00 0.44 N ATOM 691 CA ALA A 47 3.825 -6.261 1.965 1.00 0.48 C ATOM 692 C ALA A 47 3.797 -6.374 3.496 1.00 0.52 C ATOM 693 O ALA A 47 4.727 -6.879 4.098 1.00 0.57 O ATOM 694 CB ALA A 47 4.321 -4.868 1.564 1.00 0.51 C ATOM 0 H ALA A 47 2.036 -5.661 0.964 1.00 0.44 H new ATOM 0 HA ALA A 47 4.497 -7.019 1.564 1.00 0.48 H new ATOM 0 HB1 ALA A 47 5.321 -4.708 1.966 1.00 0.51 H new ATOM 0 HB2 ALA A 47 4.351 -4.791 0.477 1.00 0.51 H new ATOM 0 HB3 ALA A 47 3.644 -4.112 1.963 1.00 0.51 H new ATOM 700 N GLU A 48 2.738 -5.911 4.125 1.00 0.54 N ATOM 701 CA GLU A 48 2.637 -5.993 5.618 1.00 0.62 C ATOM 702 C GLU A 48 2.656 -7.464 6.055 1.00 0.61 C ATOM 703 O GLU A 48 3.337 -7.828 6.996 1.00 0.64 O ATOM 704 CB GLU A 48 1.333 -5.335 6.085 1.00 0.73 C ATOM 705 CG GLU A 48 1.640 -3.976 6.728 1.00 0.89 C ATOM 706 CD GLU A 48 0.883 -2.867 5.989 1.00 1.50 C ATOM 707 OE1 GLU A 48 -0.288 -2.680 6.278 1.00 1.93 O ATOM 708 OE2 GLU A 48 1.489 -2.220 5.150 1.00 2.06 O ATOM 0 H GLU A 48 1.937 -5.478 3.664 1.00 0.54 H new ATOM 0 HA GLU A 48 3.483 -5.472 6.065 1.00 0.62 H new ATOM 0 HB2 GLU A 48 0.658 -5.204 5.240 1.00 0.73 H new ATOM 0 HB3 GLU A 48 0.825 -5.981 6.801 1.00 0.73 H new ATOM 0 HG2 GLU A 48 1.351 -3.988 7.779 1.00 0.89 H new ATOM 0 HG3 GLU A 48 2.712 -3.782 6.694 1.00 0.89 H new ATOM 715 N GLU A 49 1.920 -8.311 5.369 1.00 0.61 N ATOM 716 CA GLU A 49 1.893 -9.766 5.724 1.00 0.65 C ATOM 717 C GLU A 49 3.278 -10.380 5.467 1.00 0.61 C ATOM 718 O GLU A 49 3.762 -11.181 6.247 1.00 0.69 O ATOM 719 CB GLU A 49 0.849 -10.482 4.855 1.00 0.71 C ATOM 720 CG GLU A 49 0.730 -11.955 5.280 1.00 0.85 C ATOM 721 CD GLU A 49 1.405 -12.855 4.235 1.00 0.95 C ATOM 722 OE1 GLU A 49 2.596 -13.093 4.362 1.00 1.08 O ATOM 723 OE2 GLU A 49 0.719 -13.297 3.328 1.00 1.21 O ATOM 0 H GLU A 49 1.334 -8.053 4.575 1.00 0.61 H new ATOM 0 HA GLU A 49 1.633 -9.880 6.776 1.00 0.65 H new ATOM 0 HB2 GLU A 49 -0.118 -9.988 4.953 1.00 0.71 H new ATOM 0 HB3 GLU A 49 1.134 -10.420 3.805 1.00 0.71 H new ATOM 0 HG2 GLU A 49 1.197 -12.101 6.254 1.00 0.85 H new ATOM 0 HG3 GLU A 49 -0.320 -12.229 5.385 1.00 0.85 H new ATOM 730 N PHE A 50 3.908 -10.009 4.375 1.00 0.55 N ATOM 731 CA PHE A 50 5.259 -10.563 4.040 1.00 0.57 C ATOM 732 C PHE A 50 6.360 -9.909 4.898 1.00 0.58 C ATOM 733 O PHE A 50 7.503 -10.329 4.859 1.00 0.65 O ATOM 734 CB PHE A 50 5.549 -10.306 2.560 1.00 0.58 C ATOM 735 CG PHE A 50 4.770 -11.291 1.715 1.00 0.60 C ATOM 736 CD1 PHE A 50 4.915 -12.667 1.928 1.00 0.68 C ATOM 737 CD2 PHE A 50 3.898 -10.827 0.723 1.00 0.66 C ATOM 738 CE1 PHE A 50 4.191 -13.576 1.149 1.00 0.76 C ATOM 739 CE2 PHE A 50 3.174 -11.737 -0.056 1.00 0.74 C ATOM 740 CZ PHE A 50 3.321 -13.112 0.158 1.00 0.77 C ATOM 0 H PHE A 50 3.540 -9.341 3.697 1.00 0.55 H new ATOM 0 HA PHE A 50 5.257 -11.633 4.248 1.00 0.57 H new ATOM 0 HB2 PHE A 50 5.272 -9.285 2.296 1.00 0.58 H new ATOM 0 HB3 PHE A 50 6.617 -10.407 2.365 1.00 0.58 H new ATOM 0 HD1 PHE A 50 5.586 -13.027 2.694 1.00 0.68 H new ATOM 0 HD2 PHE A 50 3.784 -9.766 0.559 1.00 0.66 H new ATOM 0 HE1 PHE A 50 4.304 -14.637 1.313 1.00 0.76 H new ATOM 0 HE2 PHE A 50 2.502 -11.378 -0.822 1.00 0.74 H new ATOM 0 HZ PHE A 50 2.762 -13.815 -0.442 1.00 0.77 H new ATOM 750 N LYS A 51 6.026 -8.893 5.666 1.00 0.56 N ATOM 751 CA LYS A 51 7.040 -8.205 6.532 1.00 0.61 C ATOM 752 C LYS A 51 8.034 -7.410 5.664 1.00 0.61 C ATOM 753 O LYS A 51 9.192 -7.255 6.013 1.00 0.68 O ATOM 754 CB LYS A 51 7.789 -9.245 7.382 1.00 0.68 C ATOM 755 CG LYS A 51 7.769 -8.818 8.853 1.00 0.98 C ATOM 756 CD LYS A 51 8.028 -10.033 9.750 1.00 1.32 C ATOM 757 CE LYS A 51 6.968 -10.093 10.857 1.00 1.80 C ATOM 758 NZ LYS A 51 7.349 -11.132 11.858 1.00 2.46 N ATOM 0 H LYS A 51 5.083 -8.509 5.729 1.00 0.56 H new ATOM 0 HA LYS A 51 6.526 -7.508 7.194 1.00 0.61 H new ATOM 0 HB2 LYS A 51 7.323 -10.224 7.271 1.00 0.68 H new ATOM 0 HB3 LYS A 51 8.818 -9.340 7.035 1.00 0.68 H new ATOM 0 HG2 LYS A 51 8.527 -8.055 9.030 1.00 0.98 H new ATOM 0 HG3 LYS A 51 6.805 -8.372 9.099 1.00 0.98 H new ATOM 0 HD2 LYS A 51 8.001 -10.947 9.157 1.00 1.32 H new ATOM 0 HD3 LYS A 51 9.023 -9.967 10.189 1.00 1.32 H new ATOM 0 HE2 LYS A 51 6.879 -9.121 11.342 1.00 1.80 H new ATOM 0 HE3 LYS A 51 5.993 -10.326 10.429 1.00 1.80 H new ATOM 0 HZ1 LYS A 51 6.630 -11.172 12.608 1.00 2.46 H new ATOM 0 HZ2 LYS A 51 7.413 -12.058 11.390 1.00 2.46 H new ATOM 0 HZ3 LYS A 51 8.271 -10.891 12.275 1.00 2.46 H new ATOM 772 N VAL A 52 7.577 -6.887 4.548 1.00 0.57 N ATOM 773 CA VAL A 52 8.472 -6.077 3.657 1.00 0.58 C ATOM 774 C VAL A 52 7.891 -4.660 3.517 1.00 0.56 C ATOM 775 O VAL A 52 6.708 -4.456 3.728 1.00 0.58 O ATOM 776 CB VAL A 52 8.582 -6.733 2.268 1.00 0.58 C ATOM 777 CG1 VAL A 52 9.298 -8.080 2.384 1.00 0.67 C ATOM 778 CG2 VAL A 52 7.187 -6.951 1.668 1.00 0.64 C ATOM 0 H VAL A 52 6.618 -6.987 4.215 1.00 0.57 H new ATOM 0 HA VAL A 52 9.468 -6.028 4.097 1.00 0.58 H new ATOM 0 HB VAL A 52 9.152 -6.070 1.616 1.00 0.58 H new ATOM 0 HG11 VAL A 52 9.372 -8.539 1.398 1.00 0.67 H new ATOM 0 HG12 VAL A 52 10.298 -7.927 2.789 1.00 0.67 H new ATOM 0 HG13 VAL A 52 8.734 -8.736 3.048 1.00 0.67 H new ATOM 0 HG21 VAL A 52 7.282 -7.415 0.686 1.00 0.64 H new ATOM 0 HG22 VAL A 52 6.607 -7.601 2.323 1.00 0.64 H new ATOM 0 HG23 VAL A 52 6.680 -5.991 1.568 1.00 0.64 H new ATOM 788 N PRO A 53 8.739 -3.719 3.163 1.00 0.57 N ATOM 789 CA PRO A 53 8.334 -2.311 2.986 1.00 0.57 C ATOM 790 C PRO A 53 7.580 -2.124 1.666 1.00 0.53 C ATOM 791 O PRO A 53 8.095 -2.401 0.599 1.00 0.56 O ATOM 792 CB PRO A 53 9.659 -1.549 2.980 1.00 0.63 C ATOM 793 CG PRO A 53 10.753 -2.575 2.599 1.00 0.65 C ATOM 794 CD PRO A 53 10.176 -3.969 2.907 1.00 0.62 C ATOM 0 HA PRO A 53 7.656 -1.963 3.765 1.00 0.57 H new ATOM 0 HB2 PRO A 53 9.631 -0.728 2.264 1.00 0.63 H new ATOM 0 HB3 PRO A 53 9.860 -1.112 3.958 1.00 0.63 H new ATOM 0 HG2 PRO A 53 11.015 -2.488 1.544 1.00 0.65 H new ATOM 0 HG3 PRO A 53 11.665 -2.399 3.169 1.00 0.65 H new ATOM 0 HD2 PRO A 53 10.318 -4.653 2.070 1.00 0.62 H new ATOM 0 HD3 PRO A 53 10.662 -4.419 3.773 1.00 0.62 H new ATOM 802 N ALA A 54 6.361 -1.651 1.747 1.00 0.52 N ATOM 803 CA ALA A 54 5.535 -1.430 0.516 1.00 0.52 C ATOM 804 C ALA A 54 6.108 -0.264 -0.302 1.00 0.53 C ATOM 805 O ALA A 54 6.078 -0.281 -1.519 1.00 0.55 O ATOM 806 CB ALA A 54 4.093 -1.105 0.922 1.00 0.59 C ATOM 0 H ALA A 54 5.897 -1.406 2.622 1.00 0.52 H new ATOM 0 HA ALA A 54 5.553 -2.335 -0.092 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.491 -0.944 0.028 1.00 0.59 H new ATOM 0 HB2 ALA A 54 3.680 -1.936 1.493 1.00 0.59 H new ATOM 0 HB3 ALA A 54 4.082 -0.203 1.534 1.00 0.59 H new ATOM 812 N ALA A 55 6.629 0.745 0.361 1.00 0.58 N ATOM 813 CA ALA A 55 7.208 1.920 -0.364 1.00 0.62 C ATOM 814 C ALA A 55 8.475 1.502 -1.128 1.00 0.60 C ATOM 815 O ALA A 55 8.827 2.110 -2.123 1.00 0.67 O ATOM 816 CB ALA A 55 7.563 3.014 0.647 1.00 0.71 C ATOM 0 H ALA A 55 6.677 0.803 1.378 1.00 0.58 H new ATOM 0 HA ALA A 55 6.473 2.296 -1.075 1.00 0.62 H new ATOM 0 HB1 ALA A 55 7.985 3.871 0.122 1.00 0.71 H new ATOM 0 HB2 ALA A 55 6.664 3.322 1.181 1.00 0.71 H new ATOM 0 HB3 ALA A 55 8.293 2.629 1.359 1.00 0.71 H new ATOM 822 N THR A 56 9.160 0.475 -0.672 1.00 0.57 N ATOM 823 CA THR A 56 10.407 0.021 -1.370 1.00 0.61 C ATOM 824 C THR A 56 10.171 -1.347 -2.041 1.00 0.55 C ATOM 825 O THR A 56 11.111 -2.058 -2.356 1.00 0.81 O ATOM 826 CB THR A 56 11.552 -0.092 -0.349 1.00 0.71 C ATOM 827 OG1 THR A 56 11.496 1.000 0.561 1.00 0.82 O ATOM 828 CG2 THR A 56 12.900 -0.072 -1.077 1.00 0.82 C ATOM 0 H THR A 56 8.908 -0.067 0.154 1.00 0.57 H new ATOM 0 HA THR A 56 10.673 0.748 -2.137 1.00 0.61 H new ATOM 0 HB THR A 56 11.447 -1.029 0.198 1.00 0.71 H new ATOM 0 HG1 THR A 56 12.226 0.923 1.210 1.00 0.82 H new ATOM 0 HG21 THR A 56 13.708 -0.152 -0.349 1.00 0.82 H new ATOM 0 HG22 THR A 56 12.952 -0.911 -1.770 1.00 0.82 H new ATOM 0 HG23 THR A 56 13.001 0.862 -1.630 1.00 0.82 H new ATOM 836 N SER A 57 8.929 -1.723 -2.268 1.00 0.55 N ATOM 837 CA SER A 57 8.650 -3.040 -2.921 1.00 0.49 C ATOM 838 C SER A 57 7.538 -2.891 -3.964 1.00 0.44 C ATOM 839 O SER A 57 6.659 -2.055 -3.843 1.00 0.54 O ATOM 840 CB SER A 57 8.223 -4.066 -1.863 1.00 0.53 C ATOM 841 OG SER A 57 6.934 -3.731 -1.360 1.00 0.59 O ATOM 0 H SER A 57 8.103 -1.174 -2.029 1.00 0.55 H new ATOM 0 HA SER A 57 9.559 -3.383 -3.416 1.00 0.49 H new ATOM 0 HB2 SER A 57 8.205 -5.065 -2.298 1.00 0.53 H new ATOM 0 HB3 SER A 57 8.947 -4.086 -1.049 1.00 0.53 H new ATOM 0 HG SER A 57 7.022 -3.355 -0.459 1.00 0.59 H new ATOM 847 N ALA A 58 7.574 -3.716 -4.978 1.00 0.42 N ATOM 848 CA ALA A 58 6.531 -3.664 -6.046 1.00 0.40 C ATOM 849 C ALA A 58 5.941 -5.066 -6.247 1.00 0.36 C ATOM 850 O ALA A 58 6.442 -6.043 -5.716 1.00 0.42 O ATOM 851 CB ALA A 58 7.164 -3.183 -7.355 1.00 0.46 C ATOM 0 H ALA A 58 8.289 -4.431 -5.113 1.00 0.42 H new ATOM 0 HA ALA A 58 5.740 -2.974 -5.752 1.00 0.40 H new ATOM 0 HB1 ALA A 58 6.403 -3.145 -8.135 1.00 0.46 H new ATOM 0 HB2 ALA A 58 7.586 -2.188 -7.211 1.00 0.46 H new ATOM 0 HB3 ALA A 58 7.954 -3.873 -7.652 1.00 0.46 H new ATOM 857 N ILE A 59 4.886 -5.168 -7.014 1.00 0.34 N ATOM 858 CA ILE A 59 4.259 -6.500 -7.263 1.00 0.33 C ATOM 859 C ILE A 59 4.352 -6.822 -8.758 1.00 0.32 C ATOM 860 O ILE A 59 3.847 -6.091 -9.587 1.00 0.32 O ATOM 861 CB ILE A 59 2.789 -6.464 -6.811 1.00 0.34 C ATOM 862 CG1 ILE A 59 2.724 -6.722 -5.300 1.00 0.41 C ATOM 863 CG2 ILE A 59 1.981 -7.540 -7.547 1.00 0.38 C ATOM 864 CD1 ILE A 59 1.353 -6.302 -4.764 1.00 0.43 C ATOM 0 H ILE A 59 4.431 -4.383 -7.480 1.00 0.34 H new ATOM 0 HA ILE A 59 4.780 -7.273 -6.698 1.00 0.33 H new ATOM 0 HB ILE A 59 2.366 -5.486 -7.042 1.00 0.34 H new ATOM 0 HG12 ILE A 59 2.898 -7.778 -5.094 1.00 0.41 H new ATOM 0 HG13 ILE A 59 3.511 -6.164 -4.792 1.00 0.41 H new ATOM 0 HG21 ILE A 59 0.942 -7.504 -7.218 1.00 0.38 H new ATOM 0 HG22 ILE A 59 2.028 -7.359 -8.621 1.00 0.38 H new ATOM 0 HG23 ILE A 59 2.398 -8.523 -7.326 1.00 0.38 H new ATOM 0 HD11 ILE A 59 1.310 -6.486 -3.691 1.00 0.43 H new ATOM 0 HD12 ILE A 59 1.197 -5.241 -4.956 1.00 0.43 H new ATOM 0 HD13 ILE A 59 0.575 -6.880 -5.263 1.00 0.43 H new ATOM 876 N ILE A 60 4.993 -7.911 -9.106 1.00 0.35 N ATOM 877 CA ILE A 60 5.121 -8.283 -10.549 1.00 0.37 C ATOM 878 C ILE A 60 4.053 -9.326 -10.913 1.00 0.39 C ATOM 879 O ILE A 60 3.370 -9.857 -10.056 1.00 0.43 O ATOM 880 CB ILE A 60 6.523 -8.853 -10.825 1.00 0.44 C ATOM 881 CG1 ILE A 60 6.744 -10.129 -10.002 1.00 0.54 C ATOM 882 CG2 ILE A 60 7.585 -7.817 -10.447 1.00 0.47 C ATOM 883 CD1 ILE A 60 7.218 -11.258 -10.920 1.00 0.71 C ATOM 0 H ILE A 60 5.433 -8.559 -8.452 1.00 0.35 H new ATOM 0 HA ILE A 60 4.976 -7.392 -11.160 1.00 0.37 H new ATOM 0 HB ILE A 60 6.604 -9.091 -11.886 1.00 0.44 H new ATOM 0 HG12 ILE A 60 7.483 -9.947 -9.222 1.00 0.54 H new ATOM 0 HG13 ILE A 60 5.818 -10.417 -9.503 1.00 0.54 H new ATOM 0 HG21 ILE A 60 8.577 -8.224 -10.644 1.00 0.47 H new ATOM 0 HG22 ILE A 60 7.439 -6.914 -11.040 1.00 0.47 H new ATOM 0 HG23 ILE A 60 7.496 -7.574 -9.388 1.00 0.47 H new ATOM 0 HD11 ILE A 60 7.374 -12.163 -10.333 1.00 0.71 H new ATOM 0 HD12 ILE A 60 6.464 -11.447 -11.684 1.00 0.71 H new ATOM 0 HD13 ILE A 60 8.154 -10.970 -11.398 1.00 0.71 H new ATOM 895 N THR A 61 3.905 -9.617 -12.183 1.00 0.44 N ATOM 896 CA THR A 61 2.885 -10.621 -12.624 1.00 0.50 C ATOM 897 C THR A 61 3.581 -11.953 -12.932 1.00 0.58 C ATOM 898 O THR A 61 4.761 -11.992 -13.241 1.00 0.63 O ATOM 899 CB THR A 61 2.169 -10.112 -13.887 1.00 0.52 C ATOM 900 OG1 THR A 61 1.910 -8.715 -13.767 1.00 0.53 O ATOM 901 CG2 THR A 61 0.845 -10.861 -14.073 1.00 0.63 C ATOM 0 H THR A 61 4.450 -9.200 -12.938 1.00 0.44 H new ATOM 0 HA THR A 61 2.153 -10.766 -11.829 1.00 0.50 H new ATOM 0 HB THR A 61 2.809 -10.289 -14.751 1.00 0.52 H new ATOM 0 HG1 THR A 61 1.101 -8.488 -14.271 1.00 0.53 H new ATOM 0 HG21 THR A 61 0.343 -10.496 -14.969 1.00 0.63 H new ATOM 0 HG22 THR A 61 1.042 -11.928 -14.177 1.00 0.63 H new ATOM 0 HG23 THR A 61 0.207 -10.693 -13.206 1.00 0.63 H new ATOM 909 N ASN A 62 2.852 -13.045 -12.855 1.00 0.67 N ATOM 910 CA ASN A 62 3.447 -14.392 -13.147 1.00 0.78 C ATOM 911 C ASN A 62 4.054 -14.413 -14.561 1.00 0.80 C ATOM 912 O ASN A 62 4.948 -15.191 -14.843 1.00 0.89 O ATOM 913 CB ASN A 62 2.355 -15.466 -13.040 1.00 0.87 C ATOM 914 CG ASN A 62 1.263 -15.212 -14.088 1.00 0.84 C ATOM 915 OD1 ASN A 62 0.406 -14.372 -13.897 1.00 0.87 O ATOM 916 ND2 ASN A 62 1.259 -15.907 -15.193 1.00 0.96 N ATOM 0 H ASN A 62 1.864 -13.060 -12.601 1.00 0.67 H new ATOM 0 HA ASN A 62 4.236 -14.596 -12.423 1.00 0.78 H new ATOM 0 HB2 ASN A 62 2.790 -16.454 -13.189 1.00 0.87 H new ATOM 0 HB3 ASN A 62 1.920 -15.456 -12.040 1.00 0.87 H new ATOM 0 HD21 ASN A 62 0.537 -15.745 -15.895 1.00 0.96 H new ATOM 0 HD22 ASN A 62 1.978 -16.612 -15.354 1.00 0.96 H new ATOM 923 N ASP A 63 3.579 -13.562 -15.447 1.00 0.74 N ATOM 924 CA ASP A 63 4.126 -13.527 -16.839 1.00 0.80 C ATOM 925 C ASP A 63 5.449 -12.751 -16.847 1.00 0.79 C ATOM 926 O ASP A 63 6.438 -13.210 -17.390 1.00 0.98 O ATOM 927 CB ASP A 63 3.121 -12.836 -17.768 1.00 0.80 C ATOM 928 CG ASP A 63 1.794 -13.604 -17.759 1.00 0.91 C ATOM 929 OD1 ASP A 63 1.670 -14.545 -18.527 1.00 1.12 O ATOM 930 OD2 ASP A 63 0.923 -13.239 -16.984 1.00 0.93 O ATOM 0 H ASP A 63 2.834 -12.890 -15.261 1.00 0.74 H new ATOM 0 HA ASP A 63 4.299 -14.545 -17.187 1.00 0.80 H new ATOM 0 HB2 ASP A 63 2.959 -11.808 -17.444 1.00 0.80 H new ATOM 0 HB3 ASP A 63 3.519 -12.792 -18.782 1.00 0.80 H new ATOM 935 N GLY A 64 5.475 -11.583 -16.243 1.00 0.66 N ATOM 936 CA GLY A 64 6.733 -10.774 -16.205 1.00 0.67 C ATOM 937 C GLY A 64 6.407 -9.283 -16.346 1.00 0.61 C ATOM 938 O GLY A 64 6.940 -8.606 -17.206 1.00 0.70 O ATOM 0 H GLY A 64 4.675 -11.157 -15.774 1.00 0.66 H new ATOM 0 HA2 GLY A 64 7.260 -10.952 -15.268 1.00 0.67 H new ATOM 0 HA3 GLY A 64 7.399 -11.086 -17.009 1.00 0.67 H new ATOM 942 N VAL A 65 5.542 -8.769 -15.501 1.00 0.53 N ATOM 943 CA VAL A 65 5.178 -7.318 -15.570 1.00 0.50 C ATOM 944 C VAL A 65 5.299 -6.703 -14.170 1.00 0.44 C ATOM 945 O VAL A 65 4.602 -7.093 -13.252 1.00 0.44 O ATOM 946 CB VAL A 65 3.737 -7.169 -16.081 1.00 0.52 C ATOM 947 CG1 VAL A 65 3.392 -5.683 -16.222 1.00 0.58 C ATOM 948 CG2 VAL A 65 3.603 -7.850 -17.446 1.00 0.62 C ATOM 0 H VAL A 65 5.072 -9.295 -14.765 1.00 0.53 H new ATOM 0 HA VAL A 65 5.852 -6.803 -16.255 1.00 0.50 H new ATOM 0 HB VAL A 65 3.055 -7.636 -15.371 1.00 0.52 H new ATOM 0 HG11 VAL A 65 2.369 -5.580 -16.585 1.00 0.58 H new ATOM 0 HG12 VAL A 65 3.484 -5.194 -15.252 1.00 0.58 H new ATOM 0 HG13 VAL A 65 4.077 -5.216 -16.930 1.00 0.58 H new ATOM 0 HG21 VAL A 65 2.580 -7.743 -17.807 1.00 0.62 H new ATOM 0 HG22 VAL A 65 4.288 -7.384 -18.154 1.00 0.62 H new ATOM 0 HG23 VAL A 65 3.845 -8.908 -17.350 1.00 0.62 H new ATOM 958 N GLY A 66 6.183 -5.745 -14.008 1.00 0.45 N ATOM 959 CA GLY A 66 6.374 -5.092 -12.678 1.00 0.43 C ATOM 960 C GLY A 66 5.220 -4.128 -12.406 1.00 0.39 C ATOM 961 O GLY A 66 5.297 -2.951 -12.709 1.00 0.43 O ATOM 0 H GLY A 66 6.785 -5.387 -14.750 1.00 0.45 H new ATOM 0 HA2 GLY A 66 6.421 -5.848 -11.894 1.00 0.43 H new ATOM 0 HA3 GLY A 66 7.322 -4.554 -12.659 1.00 0.43 H new ATOM 965 N VAL A 67 4.153 -4.626 -11.832 1.00 0.37 N ATOM 966 CA VAL A 67 2.974 -3.758 -11.524 1.00 0.37 C ATOM 967 C VAL A 67 3.312 -2.833 -10.350 1.00 0.36 C ATOM 968 O VAL A 67 3.768 -3.275 -9.308 1.00 0.42 O ATOM 969 CB VAL A 67 1.763 -4.627 -11.153 1.00 0.40 C ATOM 970 CG1 VAL A 67 0.505 -3.757 -11.096 1.00 0.52 C ATOM 971 CG2 VAL A 67 1.570 -5.726 -12.203 1.00 0.49 C ATOM 0 H VAL A 67 4.047 -5.604 -11.562 1.00 0.37 H new ATOM 0 HA VAL A 67 2.732 -3.163 -12.404 1.00 0.37 H new ATOM 0 HB VAL A 67 1.938 -5.084 -10.179 1.00 0.40 H new ATOM 0 HG11 VAL A 67 -0.353 -4.375 -10.833 1.00 0.52 H new ATOM 0 HG12 VAL A 67 0.635 -2.978 -10.345 1.00 0.52 H new ATOM 0 HG13 VAL A 67 0.336 -3.297 -12.070 1.00 0.52 H new ATOM 0 HG21 VAL A 67 0.710 -6.339 -11.934 1.00 0.49 H new ATOM 0 HG22 VAL A 67 1.401 -5.271 -13.179 1.00 0.49 H new ATOM 0 HG23 VAL A 67 2.462 -6.351 -12.244 1.00 0.49 H new ATOM 981 N ASN A 68 3.086 -1.553 -10.514 1.00 0.37 N ATOM 982 CA ASN A 68 3.380 -0.582 -9.416 1.00 0.40 C ATOM 983 C ASN A 68 2.083 -0.235 -8.674 1.00 0.36 C ATOM 984 O ASN A 68 1.000 -0.410 -9.206 1.00 0.35 O ATOM 985 CB ASN A 68 3.979 0.699 -10.012 1.00 0.49 C ATOM 986 CG ASN A 68 5.492 0.536 -10.187 1.00 0.67 C ATOM 987 OD1 ASN A 68 6.189 0.165 -9.262 1.00 1.22 O ATOM 988 ND2 ASN A 68 6.033 0.807 -11.346 1.00 1.02 N ATOM 0 H ASN A 68 2.709 -1.137 -11.366 1.00 0.37 H new ATOM 0 HA ASN A 68 4.090 -1.030 -8.720 1.00 0.40 H new ATOM 0 HB2 ASN A 68 3.514 0.914 -10.974 1.00 0.49 H new ATOM 0 HB3 ASN A 68 3.769 1.547 -9.360 1.00 0.49 H new ATOM 0 HD21 ASN A 68 7.040 0.707 -11.475 1.00 1.02 H new ATOM 0 HD22 ASN A 68 5.448 1.118 -12.122 1.00 1.02 H new ATOM 995 N PRO A 69 2.233 0.261 -7.464 1.00 0.39 N ATOM 996 CA PRO A 69 1.094 0.661 -6.619 1.00 0.41 C ATOM 997 C PRO A 69 0.559 2.026 -7.081 1.00 0.42 C ATOM 998 O PRO A 69 0.649 3.016 -6.377 1.00 0.53 O ATOM 999 CB PRO A 69 1.702 0.732 -5.211 1.00 0.50 C ATOM 1000 CG PRO A 69 3.225 0.929 -5.401 1.00 0.52 C ATOM 1001 CD PRO A 69 3.553 0.468 -6.834 1.00 0.46 C ATOM 0 HA PRO A 69 0.247 -0.023 -6.663 1.00 0.41 H new ATOM 0 HB2 PRO A 69 1.272 1.557 -4.644 1.00 0.50 H new ATOM 0 HB3 PRO A 69 1.495 -0.181 -4.652 1.00 0.50 H new ATOM 0 HG2 PRO A 69 3.501 1.973 -5.257 1.00 0.52 H new ATOM 0 HG3 PRO A 69 3.785 0.347 -4.669 1.00 0.52 H new ATOM 0 HD2 PRO A 69 4.136 1.218 -7.369 1.00 0.46 H new ATOM 0 HD3 PRO A 69 4.141 -0.450 -6.831 1.00 0.46 H new ATOM 1009 N ALA A 70 0.015 2.079 -8.274 1.00 0.40 N ATOM 1010 CA ALA A 70 -0.523 3.371 -8.812 1.00 0.47 C ATOM 1011 C ALA A 70 -1.752 3.116 -9.710 1.00 0.50 C ATOM 1012 O ALA A 70 -2.138 3.967 -10.492 1.00 0.92 O ATOM 1013 CB ALA A 70 0.573 4.067 -9.627 1.00 0.53 C ATOM 0 H ALA A 70 -0.080 1.280 -8.901 1.00 0.40 H new ATOM 0 HA ALA A 70 -0.829 4.003 -7.979 1.00 0.47 H new ATOM 0 HB1 ALA A 70 0.190 5.008 -10.022 1.00 0.53 H new ATOM 0 HB2 ALA A 70 1.432 4.265 -8.986 1.00 0.53 H new ATOM 0 HB3 ALA A 70 0.877 3.423 -10.453 1.00 0.53 H new ATOM 1019 N GLN A 71 -2.374 1.960 -9.600 1.00 0.56 N ATOM 1020 CA GLN A 71 -3.575 1.658 -10.443 1.00 0.56 C ATOM 1021 C GLN A 71 -4.727 1.175 -9.547 1.00 0.53 C ATOM 1022 O GLN A 71 -4.506 0.771 -8.423 1.00 0.55 O ATOM 1023 CB GLN A 71 -3.221 0.562 -11.454 1.00 0.59 C ATOM 1024 CG GLN A 71 -2.478 1.181 -12.640 1.00 0.76 C ATOM 1025 CD GLN A 71 -1.814 0.073 -13.460 1.00 1.07 C ATOM 1026 OE1 GLN A 71 -2.388 -0.421 -14.411 1.00 1.56 O ATOM 1027 NE2 GLN A 71 -0.621 -0.344 -13.129 1.00 1.30 N ATOM 0 H GLN A 71 -2.099 1.214 -8.961 1.00 0.56 H new ATOM 0 HA GLN A 71 -3.884 2.560 -10.972 1.00 0.56 H new ATOM 0 HB2 GLN A 71 -2.601 -0.198 -10.980 1.00 0.59 H new ATOM 0 HB3 GLN A 71 -4.127 0.064 -11.799 1.00 0.59 H new ATOM 0 HG2 GLN A 71 -3.172 1.744 -13.264 1.00 0.76 H new ATOM 0 HG3 GLN A 71 -1.726 1.885 -12.284 1.00 0.76 H new ATOM 0 HE21 GLN A 71 -0.139 0.070 -12.331 1.00 1.30 H new ATOM 0 HE22 GLN A 71 -0.171 -1.084 -13.668 1.00 1.30 H new ATOM 1036 N PRO A 72 -5.930 1.226 -10.078 1.00 0.55 N ATOM 1037 CA PRO A 72 -7.140 0.795 -9.348 1.00 0.59 C ATOM 1038 C PRO A 72 -7.234 -0.737 -9.321 1.00 0.55 C ATOM 1039 O PRO A 72 -6.849 -1.407 -10.262 1.00 0.57 O ATOM 1040 CB PRO A 72 -8.287 1.405 -10.157 1.00 0.68 C ATOM 1041 CG PRO A 72 -7.732 1.661 -11.578 1.00 0.69 C ATOM 1042 CD PRO A 72 -6.198 1.715 -11.449 1.00 0.62 C ATOM 0 HA PRO A 72 -7.149 1.114 -8.306 1.00 0.59 H new ATOM 0 HB2 PRO A 72 -9.141 0.729 -10.190 1.00 0.68 H new ATOM 0 HB3 PRO A 72 -8.632 2.333 -9.702 1.00 0.68 H new ATOM 0 HG2 PRO A 72 -8.036 0.868 -12.261 1.00 0.69 H new ATOM 0 HG3 PRO A 72 -8.120 2.596 -11.983 1.00 0.69 H new ATOM 0 HD2 PRO A 72 -5.713 1.088 -12.197 1.00 0.62 H new ATOM 0 HD3 PRO A 72 -5.822 2.728 -11.591 1.00 0.62 H new ATOM 1050 N ALA A 73 -7.741 -1.288 -8.242 1.00 0.56 N ATOM 1051 CA ALA A 73 -7.869 -2.777 -8.122 1.00 0.55 C ATOM 1052 C ALA A 73 -8.644 -3.340 -9.324 1.00 0.57 C ATOM 1053 O ALA A 73 -8.297 -4.377 -9.858 1.00 0.57 O ATOM 1054 CB ALA A 73 -8.612 -3.122 -6.827 1.00 0.64 C ATOM 0 H ALA A 73 -8.074 -0.765 -7.432 1.00 0.56 H new ATOM 0 HA ALA A 73 -6.873 -3.220 -8.103 1.00 0.55 H new ATOM 0 HB1 ALA A 73 -8.706 -4.204 -6.739 1.00 0.64 H new ATOM 0 HB2 ALA A 73 -8.055 -2.735 -5.974 1.00 0.64 H new ATOM 0 HB3 ALA A 73 -9.605 -2.672 -6.846 1.00 0.64 H new ATOM 1060 N GLY A 74 -9.685 -2.659 -9.753 1.00 0.65 N ATOM 1061 CA GLY A 74 -10.484 -3.143 -10.923 1.00 0.71 C ATOM 1062 C GLY A 74 -9.575 -3.304 -12.149 1.00 0.67 C ATOM 1063 O GLY A 74 -9.627 -4.307 -12.836 1.00 0.68 O ATOM 0 H GLY A 74 -10.014 -1.786 -9.340 1.00 0.65 H new ATOM 0 HA2 GLY A 74 -10.956 -4.096 -10.682 1.00 0.71 H new ATOM 0 HA3 GLY A 74 -11.285 -2.437 -11.144 1.00 0.71 H new ATOM 1067 N ASN A 75 -8.742 -2.323 -12.423 1.00 0.66 N ATOM 1068 CA ASN A 75 -7.822 -2.409 -13.602 1.00 0.65 C ATOM 1069 C ASN A 75 -6.735 -3.465 -13.349 1.00 0.57 C ATOM 1070 O ASN A 75 -6.327 -4.165 -14.258 1.00 0.58 O ATOM 1071 CB ASN A 75 -7.163 -1.044 -13.836 1.00 0.70 C ATOM 1072 CG ASN A 75 -6.497 -1.025 -15.216 1.00 0.89 C ATOM 1073 OD1 ASN A 75 -7.143 -0.757 -16.211 1.00 1.11 O ATOM 1074 ND2 ASN A 75 -5.224 -1.298 -15.320 1.00 1.09 N ATOM 0 H ASN A 75 -8.661 -1.465 -11.877 1.00 0.66 H new ATOM 0 HA ASN A 75 -8.398 -2.695 -14.482 1.00 0.65 H new ATOM 0 HB2 ASN A 75 -7.909 -0.252 -13.770 1.00 0.70 H new ATOM 0 HB3 ASN A 75 -6.422 -0.849 -13.061 1.00 0.70 H new ATOM 0 HD21 ASN A 75 -4.773 -1.286 -16.235 1.00 1.09 H new ATOM 0 HD22 ASN A 75 -4.681 -1.523 -14.486 1.00 1.09 H new ATOM 1081 N ILE A 76 -6.267 -3.584 -12.126 1.00 0.54 N ATOM 1082 CA ILE A 76 -5.206 -4.596 -11.806 1.00 0.49 C ATOM 1083 C ILE A 76 -5.730 -6.006 -12.120 1.00 0.48 C ATOM 1084 O ILE A 76 -5.026 -6.820 -12.690 1.00 0.50 O ATOM 1085 CB ILE A 76 -4.837 -4.496 -10.316 1.00 0.51 C ATOM 1086 CG1 ILE A 76 -4.199 -3.126 -10.032 1.00 0.53 C ATOM 1087 CG2 ILE A 76 -3.852 -5.613 -9.939 1.00 0.51 C ATOM 1088 CD1 ILE A 76 -2.833 -3.022 -10.722 1.00 0.51 C ATOM 0 H ILE A 76 -6.576 -3.021 -11.333 1.00 0.54 H new ATOM 0 HA ILE A 76 -4.320 -4.401 -12.410 1.00 0.49 H new ATOM 0 HB ILE A 76 -5.742 -4.606 -9.719 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -4.855 -2.331 -10.387 1.00 0.53 H new ATOM 0 HG13 ILE A 76 -4.083 -2.987 -8.957 1.00 0.53 H new ATOM 0 HG21 ILE A 76 -3.598 -5.532 -8.882 1.00 0.51 H new ATOM 0 HG22 ILE A 76 -4.312 -6.583 -10.129 1.00 0.51 H new ATOM 0 HG23 ILE A 76 -2.947 -5.517 -10.538 1.00 0.51 H new ATOM 0 HD11 ILE A 76 -2.393 -2.047 -10.512 1.00 0.51 H new ATOM 0 HD12 ILE A 76 -2.175 -3.806 -10.346 1.00 0.51 H new ATOM 0 HD13 ILE A 76 -2.959 -3.139 -11.798 1.00 0.51 H new ATOM 1100 N PHE A 77 -6.958 -6.292 -11.754 1.00 0.51 N ATOM 1101 CA PHE A 77 -7.543 -7.642 -12.026 1.00 0.54 C ATOM 1102 C PHE A 77 -7.862 -7.782 -13.523 1.00 0.56 C ATOM 1103 O PHE A 77 -7.691 -8.839 -14.102 1.00 0.61 O ATOM 1104 CB PHE A 77 -8.831 -7.806 -11.211 1.00 0.59 C ATOM 1105 CG PHE A 77 -9.189 -9.272 -11.103 1.00 0.60 C ATOM 1106 CD1 PHE A 77 -9.939 -9.885 -12.114 1.00 0.80 C ATOM 1107 CD2 PHE A 77 -8.771 -10.016 -9.993 1.00 0.58 C ATOM 1108 CE1 PHE A 77 -10.273 -11.240 -12.014 1.00 0.87 C ATOM 1109 CE2 PHE A 77 -9.105 -11.372 -9.894 1.00 0.63 C ATOM 1110 CZ PHE A 77 -9.856 -11.983 -10.905 1.00 0.74 C ATOM 0 H PHE A 77 -7.583 -5.643 -11.276 1.00 0.51 H new ATOM 0 HA PHE A 77 -6.825 -8.411 -11.741 1.00 0.54 H new ATOM 0 HB2 PHE A 77 -8.699 -7.381 -10.216 1.00 0.59 H new ATOM 0 HB3 PHE A 77 -9.645 -7.258 -11.686 1.00 0.59 H new ATOM 0 HD1 PHE A 77 -10.260 -9.312 -12.971 1.00 0.80 H new ATOM 0 HD2 PHE A 77 -8.191 -9.544 -9.214 1.00 0.58 H new ATOM 0 HE1 PHE A 77 -10.853 -11.712 -12.793 1.00 0.87 H new ATOM 0 HE2 PHE A 77 -8.783 -11.946 -9.038 1.00 0.63 H new ATOM 0 HZ PHE A 77 -10.114 -13.029 -10.829 1.00 0.74 H new ATOM 1120 N LEU A 78 -8.331 -6.724 -14.147 1.00 0.60 N ATOM 1121 CA LEU A 78 -8.674 -6.784 -15.604 1.00 0.64 C ATOM 1122 C LEU A 78 -7.400 -6.942 -16.448 1.00 0.63 C ATOM 1123 O LEU A 78 -7.391 -7.657 -17.433 1.00 0.70 O ATOM 1124 CB LEU A 78 -9.385 -5.489 -16.013 1.00 0.70 C ATOM 1125 CG LEU A 78 -10.826 -5.500 -15.492 1.00 0.75 C ATOM 1126 CD1 LEU A 78 -11.414 -4.090 -15.588 1.00 0.85 C ATOM 1127 CD2 LEU A 78 -11.669 -6.463 -16.335 1.00 0.86 C ATOM 0 H LEU A 78 -8.491 -5.818 -13.706 1.00 0.60 H new ATOM 0 HA LEU A 78 -9.325 -7.641 -15.775 1.00 0.64 H new ATOM 0 HB2 LEU A 78 -8.850 -4.628 -15.612 1.00 0.70 H new ATOM 0 HB3 LEU A 78 -9.382 -5.389 -17.098 1.00 0.70 H new ATOM 0 HG LEU A 78 -10.833 -5.827 -14.452 1.00 0.75 H new ATOM 0 HD11 LEU A 78 -12.439 -4.097 -15.218 1.00 0.85 H new ATOM 0 HD12 LEU A 78 -10.816 -3.405 -14.987 1.00 0.85 H new ATOM 0 HD13 LEU A 78 -11.406 -3.763 -16.628 1.00 0.85 H new ATOM 0 HD21 LEU A 78 -12.694 -6.470 -15.964 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -11.662 -6.137 -17.375 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -11.251 -7.467 -16.267 1.00 0.86 H new ATOM 1139 N LYS A 79 -6.335 -6.270 -16.075 1.00 0.60 N ATOM 1140 CA LYS A 79 -5.065 -6.361 -16.860 1.00 0.61 C ATOM 1141 C LYS A 79 -4.287 -7.629 -16.483 1.00 0.57 C ATOM 1142 O LYS A 79 -3.823 -8.353 -17.346 1.00 0.70 O ATOM 1143 CB LYS A 79 -4.199 -5.130 -16.569 1.00 0.71 C ATOM 1144 CG LYS A 79 -3.272 -4.865 -17.758 1.00 0.84 C ATOM 1145 CD LYS A 79 -2.720 -3.440 -17.670 1.00 0.99 C ATOM 1146 CE LYS A 79 -1.324 -3.467 -17.035 1.00 1.11 C ATOM 1147 NZ LYS A 79 -1.296 -2.589 -15.829 1.00 1.66 N ATOM 0 H LYS A 79 -6.293 -5.661 -15.258 1.00 0.60 H new ATOM 0 HA LYS A 79 -5.311 -6.403 -17.921 1.00 0.61 H new ATOM 0 HB2 LYS A 79 -4.832 -4.262 -16.387 1.00 0.71 H new ATOM 0 HB3 LYS A 79 -3.612 -5.291 -15.665 1.00 0.71 H new ATOM 0 HG2 LYS A 79 -2.453 -5.584 -17.761 1.00 0.84 H new ATOM 0 HG3 LYS A 79 -3.816 -4.998 -18.693 1.00 0.84 H new ATOM 0 HD2 LYS A 79 -2.670 -2.997 -18.665 1.00 0.99 H new ATOM 0 HD3 LYS A 79 -3.388 -2.816 -17.077 1.00 0.99 H new ATOM 0 HE2 LYS A 79 -1.061 -4.488 -16.758 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -0.580 -3.131 -17.757 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -0.388 -2.084 -15.788 1.00 1.66 H new ATOM 0 HZ2 LYS A 79 -2.073 -1.900 -15.883 1.00 1.66 H new ATOM 0 HZ3 LYS A 79 -1.408 -3.170 -14.974 1.00 1.66 H new ATOM 1161 N HIS A 80 -4.127 -7.894 -15.207 1.00 0.51 N ATOM 1162 CA HIS A 80 -3.360 -9.105 -14.776 1.00 0.58 C ATOM 1163 C HIS A 80 -4.320 -10.172 -14.240 1.00 0.58 C ATOM 1164 O HIS A 80 -4.455 -11.233 -14.823 1.00 0.81 O ATOM 1165 CB HIS A 80 -2.352 -8.707 -13.690 1.00 0.62 C ATOM 1166 CG HIS A 80 -1.558 -7.520 -14.164 1.00 0.85 C ATOM 1167 ND1 HIS A 80 -0.674 -7.600 -15.228 1.00 1.10 N ATOM 1168 CD2 HIS A 80 -1.527 -6.212 -13.748 1.00 1.03 C ATOM 1169 CE1 HIS A 80 -0.154 -6.374 -15.416 1.00 1.32 C ATOM 1170 NE2 HIS A 80 -0.640 -5.491 -14.541 1.00 1.30 N ATOM 0 H HIS A 80 -4.495 -7.323 -14.446 1.00 0.51 H new ATOM 0 HA HIS A 80 -2.825 -9.518 -15.631 1.00 0.58 H new ATOM 0 HB2 HIS A 80 -2.873 -8.465 -12.764 1.00 0.62 H new ATOM 0 HB3 HIS A 80 -1.686 -9.542 -13.472 1.00 0.62 H new ATOM 0 HD1 HIS A 80 -0.457 -8.436 -15.770 1.00 1.10 H new ATOM 0 HD2 HIS A 80 -2.103 -5.805 -12.930 1.00 1.03 H new ATOM 0 HE1 HIS A 80 0.569 -6.133 -16.182 1.00 1.32 H new ATOM 1178 N GLY A 81 -4.989 -9.902 -13.142 1.00 0.52 N ATOM 1179 CA GLY A 81 -5.943 -10.904 -12.575 1.00 0.61 C ATOM 1180 C GLY A 81 -5.634 -11.143 -11.095 1.00 0.56 C ATOM 1181 O GLY A 81 -5.690 -10.233 -10.287 1.00 0.66 O ATOM 0 H GLY A 81 -4.914 -9.031 -12.616 1.00 0.52 H new ATOM 0 HA2 GLY A 81 -6.967 -10.548 -12.688 1.00 0.61 H new ATOM 0 HA3 GLY A 81 -5.869 -11.841 -13.126 1.00 0.61 H new ATOM 1185 N SER A 82 -5.318 -12.367 -10.736 1.00 0.55 N ATOM 1186 CA SER A 82 -5.014 -12.686 -9.306 1.00 0.55 C ATOM 1187 C SER A 82 -3.574 -13.203 -9.170 1.00 0.46 C ATOM 1188 O SER A 82 -2.852 -12.791 -8.282 1.00 0.48 O ATOM 1189 CB SER A 82 -5.989 -13.759 -8.810 1.00 0.65 C ATOM 1190 OG SER A 82 -6.112 -13.669 -7.396 1.00 0.71 O ATOM 0 H SER A 82 -5.258 -13.159 -11.375 1.00 0.55 H new ATOM 0 HA SER A 82 -5.122 -11.781 -8.709 1.00 0.55 H new ATOM 0 HB2 SER A 82 -6.963 -13.626 -9.280 1.00 0.65 H new ATOM 0 HB3 SER A 82 -5.632 -14.749 -9.093 1.00 0.65 H new ATOM 0 HG SER A 82 -6.586 -12.844 -7.161 1.00 0.71 H new ATOM 1196 N GLU A 83 -3.158 -14.105 -10.033 1.00 0.48 N ATOM 1197 CA GLU A 83 -1.769 -14.661 -9.946 1.00 0.48 C ATOM 1198 C GLU A 83 -0.737 -13.530 -10.068 1.00 0.43 C ATOM 1199 O GLU A 83 -0.522 -12.979 -11.134 1.00 0.54 O ATOM 1200 CB GLU A 83 -1.548 -15.686 -11.064 1.00 0.64 C ATOM 1201 CG GLU A 83 -1.092 -17.015 -10.453 1.00 0.71 C ATOM 1202 CD GLU A 83 0.404 -16.945 -10.114 1.00 0.75 C ATOM 1203 OE1 GLU A 83 0.738 -16.343 -9.105 1.00 0.99 O ATOM 1204 OE2 GLU A 83 1.188 -17.499 -10.867 1.00 0.99 O ATOM 0 H GLU A 83 -3.724 -14.479 -10.795 1.00 0.48 H new ATOM 0 HA GLU A 83 -1.646 -15.150 -8.980 1.00 0.48 H new ATOM 0 HB2 GLU A 83 -2.470 -15.830 -11.628 1.00 0.64 H new ATOM 0 HB3 GLU A 83 -0.799 -15.319 -11.766 1.00 0.64 H new ATOM 0 HG2 GLU A 83 -1.669 -17.229 -9.553 1.00 0.71 H new ATOM 0 HG3 GLU A 83 -1.278 -17.830 -11.152 1.00 0.71 H new ATOM 1211 N LEU A 84 -0.105 -13.187 -8.970 1.00 0.35 N ATOM 1212 CA LEU A 84 0.918 -12.095 -8.974 1.00 0.37 C ATOM 1213 C LEU A 84 2.090 -12.475 -8.052 1.00 0.34 C ATOM 1214 O LEU A 84 2.025 -13.440 -7.310 1.00 0.39 O ATOM 1215 CB LEU A 84 0.273 -10.798 -8.468 1.00 0.43 C ATOM 1216 CG LEU A 84 -0.623 -10.203 -9.561 1.00 0.58 C ATOM 1217 CD1 LEU A 84 -1.889 -9.616 -8.928 1.00 0.91 C ATOM 1218 CD2 LEU A 84 0.138 -9.099 -10.303 1.00 0.64 C ATOM 0 H LEU A 84 -0.257 -13.623 -8.061 1.00 0.35 H new ATOM 0 HA LEU A 84 1.291 -11.952 -9.988 1.00 0.37 H new ATOM 0 HB2 LEU A 84 -0.315 -10.999 -7.572 1.00 0.43 H new ATOM 0 HB3 LEU A 84 1.046 -10.082 -8.188 1.00 0.43 H new ATOM 0 HG LEU A 84 -0.902 -10.987 -10.264 1.00 0.58 H new ATOM 0 HD11 LEU A 84 -2.523 -9.194 -9.707 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -2.432 -10.403 -8.404 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.613 -8.833 -8.221 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -0.499 -8.677 -11.080 1.00 0.64 H new ATOM 0 HD22 LEU A 84 0.420 -8.316 -9.600 1.00 0.64 H new ATOM 0 HD23 LEU A 84 1.035 -9.518 -10.758 1.00 0.64 H new ATOM 1230 N ARG A 85 3.158 -11.715 -8.099 1.00 0.39 N ATOM 1231 CA ARG A 85 4.349 -12.002 -7.237 1.00 0.38 C ATOM 1232 C ARG A 85 4.765 -10.722 -6.498 1.00 0.39 C ATOM 1233 O ARG A 85 4.445 -9.624 -6.916 1.00 0.46 O ATOM 1234 CB ARG A 85 5.510 -12.477 -8.114 1.00 0.40 C ATOM 1235 CG ARG A 85 5.596 -14.004 -8.082 1.00 0.55 C ATOM 1236 CD ARG A 85 5.052 -14.579 -9.392 1.00 0.93 C ATOM 1237 NE ARG A 85 5.407 -16.025 -9.483 1.00 1.05 N ATOM 1238 CZ ARG A 85 4.490 -16.912 -9.765 1.00 1.05 C ATOM 1239 NH1 ARG A 85 3.631 -17.279 -8.849 1.00 1.82 N ATOM 1240 NH2 ARG A 85 4.435 -17.435 -10.965 1.00 1.16 N ATOM 0 H ARG A 85 3.256 -10.900 -8.704 1.00 0.39 H new ATOM 0 HA ARG A 85 4.095 -12.777 -6.514 1.00 0.38 H new ATOM 0 HB2 ARG A 85 5.367 -12.134 -9.139 1.00 0.40 H new ATOM 0 HB3 ARG A 85 6.445 -12.044 -7.760 1.00 0.40 H new ATOM 0 HG2 ARG A 85 6.630 -14.317 -7.938 1.00 0.55 H new ATOM 0 HG3 ARG A 85 5.025 -14.392 -7.238 1.00 0.55 H new ATOM 0 HD2 ARG A 85 3.970 -14.455 -9.435 1.00 0.93 H new ATOM 0 HD3 ARG A 85 5.469 -14.037 -10.241 1.00 0.93 H new ATOM 0 HE ARG A 85 6.370 -16.323 -9.324 1.00 1.05 H new ATOM 0 HH11 ARG A 85 3.677 -16.873 -7.915 1.00 1.82 H new ATOM 0 HH12 ARG A 85 2.915 -17.971 -9.069 1.00 1.82 H new ATOM 0 HH21 ARG A 85 5.107 -17.150 -11.677 1.00 1.16 H new ATOM 0 HH22 ARG A 85 3.720 -18.128 -11.187 1.00 1.16 H new ATOM 1254 N LEU A 86 5.485 -10.857 -5.409 1.00 0.45 N ATOM 1255 CA LEU A 86 5.932 -9.653 -4.646 1.00 0.46 C ATOM 1256 C LEU A 86 7.460 -9.560 -4.683 1.00 0.49 C ATOM 1257 O LEU A 86 8.159 -10.465 -4.264 1.00 0.63 O ATOM 1258 CB LEU A 86 5.464 -9.748 -3.192 1.00 0.51 C ATOM 1259 CG LEU A 86 5.104 -8.347 -2.681 1.00 0.59 C ATOM 1260 CD1 LEU A 86 3.960 -8.443 -1.666 1.00 0.71 C ATOM 1261 CD2 LEU A 86 6.330 -7.719 -2.012 1.00 0.72 C ATOM 0 H LEU A 86 5.781 -11.751 -5.017 1.00 0.45 H new ATOM 0 HA LEU A 86 5.499 -8.763 -5.103 1.00 0.46 H new ATOM 0 HB2 LEU A 86 4.599 -10.407 -3.119 1.00 0.51 H new ATOM 0 HB3 LEU A 86 6.249 -10.182 -2.573 1.00 0.51 H new ATOM 0 HG LEU A 86 4.788 -7.727 -3.520 1.00 0.59 H new ATOM 0 HD11 LEU A 86 3.708 -7.445 -1.306 1.00 0.71 H new ATOM 0 HD12 LEU A 86 3.087 -8.888 -2.143 1.00 0.71 H new ATOM 0 HD13 LEU A 86 4.270 -9.064 -0.826 1.00 0.71 H new ATOM 0 HD21 LEU A 86 6.076 -6.723 -1.648 1.00 0.72 H new ATOM 0 HD22 LEU A 86 6.646 -8.341 -1.175 1.00 0.72 H new ATOM 0 HD23 LEU A 86 7.141 -7.645 -2.736 1.00 0.72 H new ATOM 1273 N ILE A 87 7.975 -8.462 -5.181 1.00 0.50 N ATOM 1274 CA ILE A 87 9.455 -8.276 -5.254 1.00 0.55 C ATOM 1275 C ILE A 87 9.848 -7.041 -4.430 1.00 0.54 C ATOM 1276 O ILE A 87 9.194 -6.017 -4.512 1.00 0.50 O ATOM 1277 CB ILE A 87 9.874 -8.078 -6.723 1.00 0.59 C ATOM 1278 CG1 ILE A 87 11.395 -7.902 -6.811 1.00 0.68 C ATOM 1279 CG2 ILE A 87 9.190 -6.834 -7.304 1.00 0.60 C ATOM 1280 CD1 ILE A 87 11.832 -7.897 -8.278 1.00 0.77 C ATOM 0 H ILE A 87 7.427 -7.681 -5.543 1.00 0.50 H new ATOM 0 HA ILE A 87 9.959 -9.155 -4.853 1.00 0.55 H new ATOM 0 HB ILE A 87 9.572 -8.957 -7.293 1.00 0.59 H new ATOM 0 HG12 ILE A 87 11.691 -6.969 -6.331 1.00 0.68 H new ATOM 0 HG13 ILE A 87 11.895 -8.709 -6.276 1.00 0.68 H new ATOM 0 HG21 ILE A 87 9.493 -6.704 -8.343 1.00 0.60 H new ATOM 0 HG22 ILE A 87 8.108 -6.957 -7.255 1.00 0.60 H new ATOM 0 HG23 ILE A 87 9.482 -5.956 -6.728 1.00 0.60 H new ATOM 0 HD11 ILE A 87 12.913 -7.772 -8.335 1.00 0.77 H new ATOM 0 HD12 ILE A 87 11.551 -8.841 -8.745 1.00 0.77 H new ATOM 0 HD13 ILE A 87 11.343 -7.075 -8.800 1.00 0.77 H new ATOM 1292 N PRO A 88 10.914 -7.166 -3.667 1.00 0.61 N ATOM 1293 CA PRO A 88 11.426 -6.060 -2.835 1.00 0.65 C ATOM 1294 C PRO A 88 12.169 -5.046 -3.725 1.00 0.64 C ATOM 1295 O PRO A 88 13.350 -4.796 -3.554 1.00 0.76 O ATOM 1296 CB PRO A 88 12.372 -6.759 -1.849 1.00 0.77 C ATOM 1297 CG PRO A 88 12.782 -8.096 -2.509 1.00 0.78 C ATOM 1298 CD PRO A 88 11.704 -8.415 -3.562 1.00 0.72 C ATOM 0 HA PRO A 88 10.649 -5.495 -2.319 1.00 0.65 H new ATOM 0 HB2 PRO A 88 13.247 -6.142 -1.647 1.00 0.77 H new ATOM 0 HB3 PRO A 88 11.877 -6.933 -0.894 1.00 0.77 H new ATOM 0 HG2 PRO A 88 13.765 -8.014 -2.973 1.00 0.78 H new ATOM 0 HG3 PRO A 88 12.846 -8.891 -1.766 1.00 0.78 H new ATOM 0 HD2 PRO A 88 12.150 -8.685 -4.519 1.00 0.72 H new ATOM 0 HD3 PRO A 88 11.082 -9.255 -3.252 1.00 0.72 H new