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 -169:sc= 0.976 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -133:sc= -0.0976 (180deg=0) USER MOD Set 1.3: A 80 HIS : no HD1:sc= -2.24! C(o=-1.4!,f=-2.5!) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0.00304 USER MOD Set 2.2: A 82 SER OG : rot 65:sc= 0.448 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00496) USER MOD Single : A 32 SER OG : rot 180:sc= -1.76! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.00108 (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= -0.254 USER MOD Single : A 57 SER OG : rot 21:sc= 0.00232 USER MOD Single : A 62 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.79) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.319 -7.773 -6.547 1.00 0.74 N ATOM 136 CA LYS A 13 -14.975 -7.470 -5.960 1.00 0.69 C ATOM 137 C LYS A 13 -13.895 -8.271 -6.697 1.00 0.60 C ATOM 138 O LYS A 13 -14.154 -9.334 -7.235 1.00 0.63 O ATOM 139 CB LYS A 13 -14.962 -7.846 -4.473 1.00 0.72 C ATOM 140 CG LYS A 13 -16.075 -7.093 -3.736 1.00 0.85 C ATOM 141 CD LYS A 13 -15.969 -7.362 -2.232 1.00 0.87 C ATOM 142 CE LYS A 13 -16.031 -6.036 -1.467 1.00 1.18 C ATOM 143 NZ LYS A 13 -15.784 -6.276 -0.013 1.00 1.44 N ATOM 0 HA LYS A 13 -14.772 -6.404 -6.066 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -15.101 -8.921 -4.359 1.00 0.72 H new ATOM 0 HB3 LYS A 13 -13.994 -7.602 -4.035 1.00 0.72 H new ATOM 0 HG2 LYS A 13 -15.995 -6.024 -3.931 1.00 0.85 H new ATOM 0 HG3 LYS A 13 -17.050 -7.412 -4.105 1.00 0.85 H new ATOM 0 HD2 LYS A 13 -16.779 -8.017 -1.911 1.00 0.87 H new ATOM 0 HD3 LYS A 13 -15.035 -7.878 -2.010 1.00 0.87 H new ATOM 0 HE2 LYS A 13 -15.288 -5.343 -1.862 1.00 1.18 H new ATOM 0 HE3 LYS A 13 -17.007 -5.570 -1.607 1.00 1.18 H new ATOM 0 HZ1 LYS A 13 -15.827 -5.373 0.500 1.00 1.44 H new ATOM 0 HZ2 LYS A 13 -16.509 -6.922 0.360 1.00 1.44 H new ATOM 0 HZ3 LYS A 13 -14.843 -6.701 0.114 1.00 1.44 H new ATOM 157 N VAL A 14 -12.685 -7.768 -6.714 1.00 0.57 N ATOM 158 CA VAL A 14 -11.567 -8.487 -7.404 1.00 0.50 C ATOM 159 C VAL A 14 -10.604 -9.059 -6.354 1.00 0.50 C ATOM 160 O VAL A 14 -10.208 -8.377 -5.423 1.00 0.60 O ATOM 161 CB VAL A 14 -10.809 -7.527 -8.336 1.00 0.49 C ATOM 162 CG1 VAL A 14 -11.669 -7.208 -9.560 1.00 0.53 C ATOM 163 CG2 VAL A 14 -10.475 -6.225 -7.598 1.00 0.57 C ATOM 0 H VAL A 14 -12.422 -6.885 -6.277 1.00 0.57 H new ATOM 0 HA VAL A 14 -11.982 -9.299 -8.002 1.00 0.50 H new ATOM 0 HB VAL A 14 -9.883 -8.006 -8.654 1.00 0.49 H new ATOM 0 HG11 VAL A 14 -11.128 -6.528 -10.217 1.00 0.53 H new ATOM 0 HG12 VAL A 14 -11.894 -8.130 -10.097 1.00 0.53 H new ATOM 0 HG13 VAL A 14 -12.599 -6.739 -9.239 1.00 0.53 H new ATOM 0 HG21 VAL A 14 -9.938 -5.554 -8.269 1.00 0.57 H new ATOM 0 HG22 VAL A 14 -11.397 -5.747 -7.268 1.00 0.57 H new ATOM 0 HG23 VAL A 14 -9.851 -6.447 -6.732 1.00 0.57 H new ATOM 173 N THR A 15 -10.235 -10.310 -6.498 1.00 0.49 N ATOM 174 CA THR A 15 -9.302 -10.951 -5.516 1.00 0.52 C ATOM 175 C THR A 15 -7.872 -10.943 -6.071 1.00 0.43 C ATOM 176 O THR A 15 -7.653 -11.153 -7.252 1.00 0.50 O ATOM 177 CB THR A 15 -9.743 -12.399 -5.257 1.00 0.65 C ATOM 178 OG1 THR A 15 -9.941 -13.070 -6.496 1.00 0.71 O ATOM 179 CG2 THR A 15 -11.047 -12.405 -4.455 1.00 0.81 C ATOM 0 H THR A 15 -10.542 -10.918 -7.258 1.00 0.49 H new ATOM 0 HA THR A 15 -9.327 -10.390 -4.582 1.00 0.52 H new ATOM 0 HB THR A 15 -8.968 -12.914 -4.689 1.00 0.65 H new ATOM 0 HG1 THR A 15 -10.221 -13.994 -6.327 1.00 0.71 H new ATOM 0 HG21 THR A 15 -11.357 -13.434 -4.273 1.00 0.81 H new ATOM 0 HG22 THR A 15 -10.891 -11.899 -3.502 1.00 0.81 H new ATOM 0 HG23 THR A 15 -11.823 -11.886 -5.018 1.00 0.81 H new ATOM 187 N PHE A 16 -6.896 -10.704 -5.224 1.00 0.44 N ATOM 188 CA PHE A 16 -5.474 -10.681 -5.689 1.00 0.41 C ATOM 189 C PHE A 16 -4.640 -11.671 -4.871 1.00 0.42 C ATOM 190 O PHE A 16 -4.806 -11.797 -3.671 1.00 0.57 O ATOM 191 CB PHE A 16 -4.893 -9.275 -5.511 1.00 0.51 C ATOM 192 CG PHE A 16 -5.682 -8.281 -6.327 1.00 0.49 C ATOM 193 CD1 PHE A 16 -5.642 -8.332 -7.727 1.00 0.54 C ATOM 194 CD2 PHE A 16 -6.451 -7.305 -5.685 1.00 0.61 C ATOM 195 CE1 PHE A 16 -6.370 -7.407 -8.480 1.00 0.61 C ATOM 196 CE2 PHE A 16 -7.180 -6.380 -6.440 1.00 0.68 C ATOM 197 CZ PHE A 16 -7.140 -6.431 -7.838 1.00 0.65 C ATOM 0 H PHE A 16 -7.026 -10.524 -4.228 1.00 0.44 H new ATOM 0 HA PHE A 16 -5.445 -10.961 -6.742 1.00 0.41 H new ATOM 0 HB2 PHE A 16 -4.917 -8.994 -4.458 1.00 0.51 H new ATOM 0 HB3 PHE A 16 -3.848 -9.263 -5.820 1.00 0.51 H new ATOM 0 HD1 PHE A 16 -5.049 -9.086 -8.224 1.00 0.54 H new ATOM 0 HD2 PHE A 16 -6.482 -7.265 -4.606 1.00 0.61 H new ATOM 0 HE1 PHE A 16 -6.338 -7.445 -9.559 1.00 0.61 H new ATOM 0 HE2 PHE A 16 -7.774 -5.626 -5.944 1.00 0.68 H new ATOM 0 HZ PHE A 16 -7.703 -5.717 -8.421 1.00 0.65 H new ATOM 207 N LYS A 17 -3.733 -12.363 -5.516 1.00 0.42 N ATOM 208 CA LYS A 17 -2.863 -13.339 -4.796 1.00 0.44 C ATOM 209 C LYS A 17 -1.395 -12.991 -5.065 1.00 0.42 C ATOM 210 O LYS A 17 -0.921 -13.086 -6.183 1.00 0.50 O ATOM 211 CB LYS A 17 -3.160 -14.759 -5.292 1.00 0.51 C ATOM 212 CG LYS A 17 -3.184 -15.722 -4.101 1.00 0.83 C ATOM 213 CD LYS A 17 -2.810 -17.132 -4.569 1.00 1.63 C ATOM 214 CE LYS A 17 -4.056 -18.023 -4.567 1.00 2.40 C ATOM 215 NZ LYS A 17 -3.750 -19.314 -5.249 1.00 3.16 N ATOM 0 H LYS A 17 -3.558 -12.291 -6.518 1.00 0.42 H new ATOM 0 HA LYS A 17 -3.061 -13.290 -3.725 1.00 0.44 H new ATOM 0 HB2 LYS A 17 -4.118 -14.781 -5.811 1.00 0.51 H new ATOM 0 HB3 LYS A 17 -2.402 -15.071 -6.010 1.00 0.51 H new ATOM 0 HG2 LYS A 17 -2.485 -15.386 -3.335 1.00 0.83 H new ATOM 0 HG3 LYS A 17 -4.175 -15.730 -3.647 1.00 0.83 H new ATOM 0 HD2 LYS A 17 -2.381 -17.092 -5.570 1.00 1.63 H new ATOM 0 HD3 LYS A 17 -2.048 -17.554 -3.913 1.00 1.63 H new ATOM 0 HE2 LYS A 17 -4.381 -18.209 -3.543 1.00 2.40 H new ATOM 0 HE3 LYS A 17 -4.877 -17.518 -5.075 1.00 2.40 H new ATOM 0 HZ1 LYS A 17 -4.597 -19.917 -5.247 1.00 3.16 H new ATOM 0 HZ2 LYS A 17 -3.460 -19.128 -6.230 1.00 3.16 H new ATOM 0 HZ3 LYS A 17 -2.979 -19.798 -4.746 1.00 3.16 H new ATOM 229 N ILE A 18 -0.678 -12.577 -4.048 1.00 0.38 N ATOM 230 CA ILE A 18 0.758 -12.206 -4.232 1.00 0.39 C ATOM 231 C ILE A 18 1.649 -13.242 -3.533 1.00 0.40 C ATOM 232 O ILE A 18 1.561 -13.438 -2.335 1.00 0.55 O ATOM 233 CB ILE A 18 1.003 -10.814 -3.633 1.00 0.43 C ATOM 234 CG1 ILE A 18 0.082 -9.791 -4.312 1.00 0.50 C ATOM 235 CG2 ILE A 18 2.458 -10.407 -3.861 1.00 0.53 C ATOM 236 CD1 ILE A 18 -1.077 -9.439 -3.378 1.00 0.66 C ATOM 0 H ILE A 18 -1.028 -12.480 -3.095 1.00 0.38 H new ATOM 0 HA ILE A 18 1.000 -12.188 -5.295 1.00 0.39 H new ATOM 0 HB ILE A 18 0.793 -10.842 -2.564 1.00 0.43 H new ATOM 0 HG12 ILE A 18 0.645 -8.892 -4.564 1.00 0.50 H new ATOM 0 HG13 ILE A 18 -0.303 -10.198 -5.247 1.00 0.50 H new ATOM 0 HG21 ILE A 18 2.630 -9.419 -3.435 1.00 0.53 H new ATOM 0 HG22 ILE A 18 3.118 -11.129 -3.380 1.00 0.53 H new ATOM 0 HG23 ILE A 18 2.666 -10.382 -4.931 1.00 0.53 H new ATOM 0 HD11 ILE A 18 -1.728 -8.713 -3.864 1.00 0.66 H new ATOM 0 HD12 ILE A 18 -1.646 -10.340 -3.149 1.00 0.66 H new ATOM 0 HD13 ILE A 18 -0.684 -9.013 -2.455 1.00 0.66 H new ATOM 248 N THR A 19 2.504 -13.905 -4.280 1.00 0.37 N ATOM 249 CA THR A 19 3.413 -14.938 -3.681 1.00 0.42 C ATOM 250 C THR A 19 4.849 -14.395 -3.634 1.00 0.40 C ATOM 251 O THR A 19 5.263 -13.635 -4.492 1.00 0.46 O ATOM 252 CB THR A 19 3.373 -16.217 -4.533 1.00 0.56 C ATOM 253 OG1 THR A 19 2.022 -16.554 -4.826 1.00 0.68 O ATOM 254 CG2 THR A 19 4.028 -17.373 -3.770 1.00 0.71 C ATOM 0 H THR A 19 2.611 -13.773 -5.286 1.00 0.37 H new ATOM 0 HA THR A 19 3.080 -15.168 -2.669 1.00 0.42 H new ATOM 0 HB THR A 19 3.917 -16.042 -5.461 1.00 0.56 H new ATOM 0 HG1 THR A 19 1.999 -17.368 -5.371 1.00 0.68 H new ATOM 0 HG21 THR A 19 3.996 -18.276 -4.380 1.00 0.71 H new ATOM 0 HG22 THR A 19 5.065 -17.121 -3.548 1.00 0.71 H new ATOM 0 HG23 THR A 19 3.489 -17.545 -2.838 1.00 0.71 H new ATOM 407 N LYS A 29 -0.123 -13.843 -0.107 1.00 0.57 N ATOM 408 CA LYS A 29 -1.148 -12.988 0.567 1.00 0.63 C ATOM 409 C LYS A 29 -2.378 -12.836 -0.334 1.00 0.56 C ATOM 410 O LYS A 29 -2.270 -12.490 -1.498 1.00 0.56 O ATOM 411 CB LYS A 29 -0.551 -11.606 0.852 1.00 0.69 C ATOM 412 CG LYS A 29 -0.994 -11.126 2.237 1.00 0.82 C ATOM 413 CD LYS A 29 -2.171 -10.159 2.098 1.00 0.79 C ATOM 414 CE LYS A 29 -2.497 -9.552 3.466 1.00 0.75 C ATOM 415 NZ LYS A 29 -3.931 -9.148 3.507 1.00 0.93 N ATOM 0 HA LYS A 29 -1.447 -13.459 1.503 1.00 0.63 H new ATOM 0 HB2 LYS A 29 0.537 -11.653 0.804 1.00 0.69 H new ATOM 0 HB3 LYS A 29 -0.874 -10.896 0.090 1.00 0.69 H new ATOM 0 HG2 LYS A 29 -1.282 -11.978 2.852 1.00 0.82 H new ATOM 0 HG3 LYS A 29 -0.164 -10.633 2.744 1.00 0.82 H new ATOM 0 HD2 LYS A 29 -1.925 -9.370 1.387 1.00 0.79 H new ATOM 0 HD3 LYS A 29 -3.042 -10.683 1.704 1.00 0.79 H new ATOM 0 HE2 LYS A 29 -2.290 -10.276 4.254 1.00 0.75 H new ATOM 0 HE3 LYS A 29 -1.860 -8.687 3.652 1.00 0.75 H new ATOM 0 HZ1 LYS A 29 -4.141 -8.705 4.424 1.00 0.93 H new ATOM 0 HZ2 LYS A 29 -4.122 -8.469 2.743 1.00 0.93 H new ATOM 0 HZ3 LYS A 29 -4.532 -9.988 3.382 1.00 0.93 H new ATOM 429 N VAL A 30 -3.549 -13.084 0.207 1.00 0.58 N ATOM 430 CA VAL A 30 -4.803 -12.948 -0.594 1.00 0.55 C ATOM 431 C VAL A 30 -5.478 -11.618 -0.237 1.00 0.55 C ATOM 432 O VAL A 30 -5.727 -11.334 0.922 1.00 0.68 O ATOM 433 CB VAL A 30 -5.750 -14.114 -0.278 1.00 0.62 C ATOM 434 CG1 VAL A 30 -6.990 -14.032 -1.173 1.00 0.71 C ATOM 435 CG2 VAL A 30 -5.032 -15.444 -0.531 1.00 0.70 C ATOM 0 H VAL A 30 -3.687 -13.376 1.174 1.00 0.58 H new ATOM 0 HA VAL A 30 -4.565 -12.966 -1.658 1.00 0.55 H new ATOM 0 HB VAL A 30 -6.052 -14.054 0.768 1.00 0.62 H new ATOM 0 HG11 VAL A 30 -7.659 -14.862 -0.945 1.00 0.71 H new ATOM 0 HG12 VAL A 30 -7.507 -13.089 -0.993 1.00 0.71 H new ATOM 0 HG13 VAL A 30 -6.688 -14.086 -2.219 1.00 0.71 H new ATOM 0 HG21 VAL A 30 -5.706 -16.270 -0.306 1.00 0.70 H new ATOM 0 HG22 VAL A 30 -4.726 -15.499 -1.576 1.00 0.70 H new ATOM 0 HG23 VAL A 30 -4.152 -15.510 0.109 1.00 0.70 H new ATOM 445 N LEU A 31 -5.765 -10.800 -1.222 1.00 0.50 N ATOM 446 CA LEU A 31 -6.414 -9.481 -0.950 1.00 0.52 C ATOM 447 C LEU A 31 -7.757 -9.396 -1.682 1.00 0.51 C ATOM 448 O LEU A 31 -7.815 -9.437 -2.899 1.00 0.62 O ATOM 449 CB LEU A 31 -5.495 -8.354 -1.435 1.00 0.55 C ATOM 450 CG LEU A 31 -4.715 -7.783 -0.247 1.00 0.63 C ATOM 451 CD1 LEU A 31 -3.235 -7.670 -0.614 1.00 0.73 C ATOM 452 CD2 LEU A 31 -5.264 -6.397 0.100 1.00 0.92 C ATOM 0 H LEU A 31 -5.576 -10.992 -2.206 1.00 0.50 H new ATOM 0 HA LEU A 31 -6.586 -9.380 0.122 1.00 0.52 H new ATOM 0 HB2 LEU A 31 -4.805 -8.733 -2.189 1.00 0.55 H new ATOM 0 HB3 LEU A 31 -6.084 -7.568 -1.908 1.00 0.55 H new ATOM 0 HG LEU A 31 -4.824 -8.444 0.613 1.00 0.63 H new ATOM 0 HD11 LEU A 31 -2.680 -7.264 0.232 1.00 0.73 H new ATOM 0 HD12 LEU A 31 -2.845 -8.657 -0.863 1.00 0.73 H new ATOM 0 HD13 LEU A 31 -3.123 -7.009 -1.473 1.00 0.73 H new ATOM 0 HD21 LEU A 31 -4.711 -5.988 0.945 1.00 0.92 H new ATOM 0 HD22 LEU A 31 -5.154 -5.736 -0.760 1.00 0.92 H new ATOM 0 HD23 LEU A 31 -6.319 -6.479 0.362 1.00 0.92 H new ATOM 464 N SER A 32 -8.836 -9.272 -0.945 1.00 0.59 N ATOM 465 CA SER A 32 -10.184 -9.177 -1.580 1.00 0.61 C ATOM 466 C SER A 32 -10.717 -7.746 -1.428 1.00 0.65 C ATOM 467 O SER A 32 -11.088 -7.323 -0.347 1.00 0.74 O ATOM 468 CB SER A 32 -11.142 -10.161 -0.903 1.00 0.70 C ATOM 469 OG SER A 32 -11.835 -10.901 -1.901 1.00 1.05 O ATOM 0 H SER A 32 -8.838 -9.233 0.074 1.00 0.59 H new ATOM 0 HA SER A 32 -10.107 -9.425 -2.639 1.00 0.61 H new ATOM 0 HB2 SER A 32 -10.588 -10.837 -0.252 1.00 0.70 H new ATOM 0 HB3 SER A 32 -11.851 -9.622 -0.274 1.00 0.70 H new ATOM 0 HG SER A 32 -12.448 -11.534 -1.472 1.00 1.05 H new ATOM 475 N VAL A 33 -10.754 -7.001 -2.508 1.00 0.61 N ATOM 476 CA VAL A 33 -11.259 -5.591 -2.448 1.00 0.67 C ATOM 477 C VAL A 33 -12.197 -5.329 -3.637 1.00 0.66 C ATOM 478 O VAL A 33 -12.117 -6.004 -4.645 1.00 0.61 O ATOM 479 CB VAL A 33 -10.078 -4.607 -2.503 1.00 0.68 C ATOM 480 CG1 VAL A 33 -9.315 -4.643 -1.177 1.00 0.81 C ATOM 481 CG2 VAL A 33 -9.129 -4.989 -3.645 1.00 0.66 C ATOM 0 H VAL A 33 -10.455 -7.310 -3.433 1.00 0.61 H new ATOM 0 HA VAL A 33 -11.803 -5.448 -1.514 1.00 0.67 H new ATOM 0 HB VAL A 33 -10.463 -3.602 -2.676 1.00 0.68 H new ATOM 0 HG11 VAL A 33 -8.479 -3.945 -1.219 1.00 0.81 H new ATOM 0 HG12 VAL A 33 -9.984 -4.359 -0.364 1.00 0.81 H new ATOM 0 HG13 VAL A 33 -8.938 -5.650 -1.001 1.00 0.81 H new ATOM 0 HG21 VAL A 33 -8.296 -4.287 -3.676 1.00 0.66 H new ATOM 0 HG22 VAL A 33 -8.748 -5.997 -3.480 1.00 0.66 H new ATOM 0 HG23 VAL A 33 -9.667 -4.955 -4.592 1.00 0.66 H new ATOM 491 N PRO A 34 -13.058 -4.348 -3.482 1.00 0.73 N ATOM 492 CA PRO A 34 -14.026 -3.965 -4.531 1.00 0.74 C ATOM 493 C PRO A 34 -13.330 -3.177 -5.652 1.00 0.71 C ATOM 494 O PRO A 34 -12.258 -2.624 -5.461 1.00 0.71 O ATOM 495 CB PRO A 34 -15.037 -3.088 -3.785 1.00 0.85 C ATOM 496 CG PRO A 34 -14.311 -2.559 -2.526 1.00 0.89 C ATOM 497 CD PRO A 34 -13.144 -3.526 -2.254 1.00 0.81 C ATOM 0 HA PRO A 34 -14.491 -4.823 -5.016 1.00 0.74 H new ATOM 0 HB2 PRO A 34 -15.375 -2.264 -4.414 1.00 0.85 H new ATOM 0 HB3 PRO A 34 -15.922 -3.663 -3.511 1.00 0.85 H new ATOM 0 HG2 PRO A 34 -13.945 -1.545 -2.687 1.00 0.89 H new ATOM 0 HG3 PRO A 34 -14.990 -2.521 -1.674 1.00 0.89 H new ATOM 0 HD2 PRO A 34 -12.215 -2.987 -2.070 1.00 0.81 H new ATOM 0 HD3 PRO A 34 -13.334 -4.142 -1.375 1.00 0.81 H new ATOM 505 N GLU A 35 -13.943 -3.125 -6.817 1.00 0.71 N ATOM 506 CA GLU A 35 -13.344 -2.377 -7.969 1.00 0.70 C ATOM 507 C GLU A 35 -13.313 -0.881 -7.632 1.00 0.75 C ATOM 508 O GLU A 35 -14.196 -0.124 -7.997 1.00 0.82 O ATOM 509 CB GLU A 35 -14.184 -2.616 -9.231 1.00 0.73 C ATOM 510 CG GLU A 35 -13.780 -3.948 -9.877 1.00 0.68 C ATOM 511 CD GLU A 35 -14.742 -5.055 -9.432 1.00 0.77 C ATOM 512 OE1 GLU A 35 -14.479 -5.664 -8.408 1.00 0.85 O ATOM 513 OE2 GLU A 35 -15.724 -5.277 -10.123 1.00 1.02 O ATOM 0 H GLU A 35 -14.838 -3.572 -7.017 1.00 0.71 H new ATOM 0 HA GLU A 35 -12.328 -2.728 -8.151 1.00 0.70 H new ATOM 0 HB2 GLU A 35 -15.244 -2.631 -8.977 1.00 0.73 H new ATOM 0 HB3 GLU A 35 -14.037 -1.799 -9.937 1.00 0.73 H new ATOM 0 HG2 GLU A 35 -13.796 -3.855 -10.963 1.00 0.68 H new ATOM 0 HG3 GLU A 35 -12.759 -4.205 -9.594 1.00 0.68 H new ATOM 520 N SER A 36 -12.296 -0.466 -6.917 1.00 0.74 N ATOM 521 CA SER A 36 -12.161 0.969 -6.506 1.00 0.81 C ATOM 522 C SER A 36 -10.895 1.139 -5.652 1.00 0.77 C ATOM 523 O SER A 36 -10.210 2.141 -5.747 1.00 0.80 O ATOM 524 CB SER A 36 -13.389 1.399 -5.691 1.00 0.90 C ATOM 525 OG SER A 36 -13.729 0.379 -4.756 1.00 0.92 O ATOM 0 H SER A 36 -11.540 -1.071 -6.595 1.00 0.74 H new ATOM 0 HA SER A 36 -12.089 1.591 -7.398 1.00 0.81 H new ATOM 0 HB2 SER A 36 -13.180 2.331 -5.166 1.00 0.90 H new ATOM 0 HB3 SER A 36 -14.230 1.590 -6.357 1.00 0.90 H new ATOM 0 HG SER A 36 -14.512 0.659 -4.237 1.00 0.92 H new ATOM 531 N THR A 37 -10.578 0.161 -4.825 1.00 0.73 N ATOM 532 CA THR A 37 -9.353 0.256 -3.967 1.00 0.71 C ATOM 533 C THR A 37 -8.109 0.305 -4.870 1.00 0.68 C ATOM 534 O THR A 37 -7.971 -0.507 -5.762 1.00 0.67 O ATOM 535 CB THR A 37 -9.277 -0.972 -3.047 1.00 0.70 C ATOM 536 OG1 THR A 37 -10.374 -0.953 -2.143 1.00 0.80 O ATOM 537 CG2 THR A 37 -7.966 -0.953 -2.256 1.00 0.75 C ATOM 0 H THR A 37 -11.118 -0.697 -4.711 1.00 0.73 H new ATOM 0 HA THR A 37 -9.397 1.159 -3.358 1.00 0.71 H new ATOM 0 HB THR A 37 -9.315 -1.877 -3.654 1.00 0.70 H new ATOM 0 HG1 THR A 37 -10.328 -1.737 -1.556 1.00 0.80 H new ATOM 0 HG21 THR A 37 -7.920 -1.827 -1.606 1.00 0.75 H new ATOM 0 HG22 THR A 37 -7.124 -0.970 -2.947 1.00 0.75 H new ATOM 0 HG23 THR A 37 -7.920 -0.048 -1.650 1.00 0.75 H new ATOM 545 N PRO A 38 -7.243 1.263 -4.617 1.00 0.69 N ATOM 546 CA PRO A 38 -6.008 1.447 -5.407 1.00 0.69 C ATOM 547 C PRO A 38 -4.950 0.394 -5.047 1.00 0.61 C ATOM 548 O PRO A 38 -4.945 -0.163 -3.958 1.00 0.62 O ATOM 549 CB PRO A 38 -5.540 2.855 -5.024 1.00 0.77 C ATOM 550 CG PRO A 38 -6.183 3.170 -3.653 1.00 0.79 C ATOM 551 CD PRO A 38 -7.407 2.243 -3.520 1.00 0.75 C ATOM 0 HA PRO A 38 -6.175 1.333 -6.478 1.00 0.69 H new ATOM 0 HB2 PRO A 38 -4.453 2.900 -4.963 1.00 0.77 H new ATOM 0 HB3 PRO A 38 -5.847 3.584 -5.774 1.00 0.77 H new ATOM 0 HG2 PRO A 38 -5.475 2.996 -2.843 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -6.481 4.217 -3.596 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -7.430 1.751 -2.547 1.00 0.75 H new ATOM 0 HD3 PRO A 38 -8.340 2.799 -3.619 1.00 0.75 H new ATOM 559 N PHE A 39 -4.048 0.128 -5.964 1.00 0.58 N ATOM 560 CA PHE A 39 -2.973 -0.877 -5.710 1.00 0.51 C ATOM 561 C PHE A 39 -2.051 -0.390 -4.581 1.00 0.51 C ATOM 562 O PHE A 39 -1.324 -1.172 -3.999 1.00 0.50 O ATOM 563 CB PHE A 39 -2.165 -1.103 -6.992 1.00 0.49 C ATOM 564 CG PHE A 39 -1.635 -2.519 -7.015 1.00 0.45 C ATOM 565 CD1 PHE A 39 -2.527 -3.600 -7.024 1.00 0.53 C ATOM 566 CD2 PHE A 39 -0.255 -2.752 -7.030 1.00 0.43 C ATOM 567 CE1 PHE A 39 -2.038 -4.911 -7.047 1.00 0.51 C ATOM 568 CE2 PHE A 39 0.233 -4.063 -7.053 1.00 0.46 C ATOM 569 CZ PHE A 39 -0.658 -5.142 -7.062 1.00 0.45 C ATOM 0 H PHE A 39 -4.013 0.569 -6.883 1.00 0.58 H new ATOM 0 HA PHE A 39 -3.429 -1.819 -5.406 1.00 0.51 H new ATOM 0 HB2 PHE A 39 -2.792 -0.925 -7.865 1.00 0.49 H new ATOM 0 HB3 PHE A 39 -1.339 -0.394 -7.043 1.00 0.49 H new ATOM 0 HD1 PHE A 39 -3.592 -3.421 -7.013 1.00 0.53 H new ATOM 0 HD2 PHE A 39 0.433 -1.920 -7.024 1.00 0.43 H new ATOM 0 HE1 PHE A 39 -2.725 -5.744 -7.053 1.00 0.51 H new ATOM 0 HE2 PHE A 39 1.298 -4.242 -7.064 1.00 0.46 H new ATOM 0 HZ PHE A 39 -0.280 -6.154 -7.081 1.00 0.45 H new ATOM 579 N THR A 40 -2.085 0.888 -4.250 1.00 0.56 N ATOM 580 CA THR A 40 -1.226 1.405 -3.135 1.00 0.59 C ATOM 581 C THR A 40 -1.614 0.675 -1.844 1.00 0.58 C ATOM 582 O THR A 40 -0.766 0.194 -1.115 1.00 0.60 O ATOM 583 CB THR A 40 -1.444 2.918 -2.940 1.00 0.64 C ATOM 584 OG1 THR A 40 -2.736 3.291 -3.406 1.00 0.67 O ATOM 585 CG2 THR A 40 -0.376 3.701 -3.706 1.00 1.06 C ATOM 0 H THR A 40 -2.670 1.589 -4.705 1.00 0.56 H new ATOM 0 HA THR A 40 -0.178 1.231 -3.379 1.00 0.59 H new ATOM 0 HB THR A 40 -1.368 3.149 -1.878 1.00 0.64 H new ATOM 0 HG1 THR A 40 -2.865 4.254 -3.276 1.00 0.67 H new ATOM 0 HG21 THR A 40 -0.536 4.770 -3.564 1.00 1.06 H new ATOM 0 HG22 THR A 40 0.612 3.429 -3.333 1.00 1.06 H new ATOM 0 HG23 THR A 40 -0.441 3.463 -4.768 1.00 1.06 H new ATOM 593 N ALA A 41 -2.898 0.585 -1.572 1.00 0.59 N ATOM 594 CA ALA A 41 -3.373 -0.120 -0.343 1.00 0.60 C ATOM 595 C ALA A 41 -3.203 -1.634 -0.525 1.00 0.56 C ATOM 596 O ALA A 41 -2.802 -2.328 0.391 1.00 0.58 O ATOM 597 CB ALA A 41 -4.851 0.204 -0.105 1.00 0.66 C ATOM 0 H ALA A 41 -3.639 0.974 -2.155 1.00 0.59 H new ATOM 0 HA ALA A 41 -2.788 0.211 0.515 1.00 0.60 H new ATOM 0 HB1 ALA A 41 -5.197 -0.311 0.792 1.00 0.66 H new ATOM 0 HB2 ALA A 41 -4.971 1.280 0.025 1.00 0.66 H new ATOM 0 HB3 ALA A 41 -5.438 -0.126 -0.962 1.00 0.66 H new ATOM 603 N VAL A 42 -3.500 -2.146 -1.703 1.00 0.54 N ATOM 604 CA VAL A 42 -3.348 -3.619 -1.952 1.00 0.53 C ATOM 605 C VAL A 42 -1.887 -4.025 -1.706 1.00 0.50 C ATOM 606 O VAL A 42 -1.610 -4.967 -0.986 1.00 0.52 O ATOM 607 CB VAL A 42 -3.741 -3.941 -3.403 1.00 0.54 C ATOM 608 CG1 VAL A 42 -3.554 -5.438 -3.673 1.00 0.57 C ATOM 609 CG2 VAL A 42 -5.210 -3.571 -3.633 1.00 0.62 C ATOM 0 H VAL A 42 -3.840 -1.607 -2.499 1.00 0.54 H new ATOM 0 HA VAL A 42 -3.998 -4.174 -1.276 1.00 0.53 H new ATOM 0 HB VAL A 42 -3.106 -3.367 -4.078 1.00 0.54 H new ATOM 0 HG11 VAL A 42 -3.834 -5.660 -4.703 1.00 0.57 H new ATOM 0 HG12 VAL A 42 -2.510 -5.709 -3.515 1.00 0.57 H new ATOM 0 HG13 VAL A 42 -4.185 -6.012 -2.994 1.00 0.57 H new ATOM 0 HG21 VAL A 42 -5.486 -3.800 -4.662 1.00 0.62 H new ATOM 0 HG22 VAL A 42 -5.840 -4.143 -2.952 1.00 0.62 H new ATOM 0 HG23 VAL A 42 -5.350 -2.506 -3.448 1.00 0.62 H new ATOM 619 N LEU A 43 -0.957 -3.309 -2.293 1.00 0.50 N ATOM 620 CA LEU A 43 0.494 -3.623 -2.104 1.00 0.48 C ATOM 621 C LEU A 43 0.879 -3.434 -0.629 1.00 0.50 C ATOM 622 O LEU A 43 1.718 -4.147 -0.108 1.00 0.52 O ATOM 623 CB LEU A 43 1.333 -2.683 -2.978 1.00 0.52 C ATOM 624 CG LEU A 43 2.762 -3.223 -3.096 1.00 0.57 C ATOM 625 CD1 LEU A 43 3.218 -3.147 -4.555 1.00 0.65 C ATOM 626 CD2 LEU A 43 3.700 -2.383 -2.223 1.00 0.69 C ATOM 0 H LEU A 43 -1.145 -2.512 -2.901 1.00 0.50 H new ATOM 0 HA LEU A 43 0.682 -4.657 -2.393 1.00 0.48 H new ATOM 0 HB2 LEU A 43 0.885 -2.595 -3.968 1.00 0.52 H new ATOM 0 HB3 LEU A 43 1.347 -1.683 -2.544 1.00 0.52 H new ATOM 0 HG LEU A 43 2.787 -4.260 -2.762 1.00 0.57 H new ATOM 0 HD11 LEU A 43 4.235 -3.531 -4.639 1.00 0.65 H new ATOM 0 HD12 LEU A 43 2.552 -3.745 -5.176 1.00 0.65 H new ATOM 0 HD13 LEU A 43 3.193 -2.110 -4.890 1.00 0.65 H new ATOM 0 HD21 LEU A 43 4.717 -2.767 -2.307 1.00 0.69 H new ATOM 0 HD22 LEU A 43 3.676 -1.346 -2.556 1.00 0.69 H new ATOM 0 HD23 LEU A 43 3.376 -2.438 -1.184 1.00 0.69 H new ATOM 638 N LYS A 44 0.270 -2.482 0.045 1.00 0.54 N ATOM 639 CA LYS A 44 0.589 -2.240 1.487 1.00 0.58 C ATOM 640 C LYS A 44 0.204 -3.473 2.315 1.00 0.56 C ATOM 641 O LYS A 44 0.992 -3.968 3.101 1.00 0.59 O ATOM 642 CB LYS A 44 -0.196 -1.022 1.987 1.00 0.65 C ATOM 643 CG LYS A 44 0.772 0.029 2.537 1.00 1.16 C ATOM 644 CD LYS A 44 0.359 0.406 3.960 1.00 1.31 C ATOM 645 CE LYS A 44 1.590 0.864 4.744 1.00 1.65 C ATOM 646 NZ LYS A 44 1.379 0.603 6.196 1.00 2.36 N ATOM 0 H LYS A 44 -0.438 -1.861 -0.347 1.00 0.54 H new ATOM 0 HA LYS A 44 1.658 -2.053 1.594 1.00 0.58 H new ATOM 0 HB2 LYS A 44 -0.784 -0.598 1.173 1.00 0.65 H new ATOM 0 HB3 LYS A 44 -0.899 -1.324 2.764 1.00 0.65 H new ATOM 0 HG2 LYS A 44 1.790 -0.361 2.533 1.00 1.16 H new ATOM 0 HG3 LYS A 44 0.767 0.913 1.899 1.00 1.16 H new ATOM 0 HD2 LYS A 44 -0.386 1.201 3.935 1.00 1.31 H new ATOM 0 HD3 LYS A 44 -0.103 -0.448 4.454 1.00 1.31 H new ATOM 0 HE2 LYS A 44 2.476 0.334 4.393 1.00 1.65 H new ATOM 0 HE3 LYS A 44 1.767 1.926 4.576 1.00 1.65 H new ATOM 0 HZ1 LYS A 44 2.133 1.063 6.745 1.00 2.36 H new ATOM 0 HZ2 LYS A 44 0.457 0.985 6.487 1.00 2.36 H new ATOM 0 HZ3 LYS A 44 1.400 -0.422 6.371 1.00 2.36 H new ATOM 660 N PHE A 45 -1.000 -3.972 2.140 1.00 0.55 N ATOM 661 CA PHE A 45 -1.448 -5.176 2.908 1.00 0.57 C ATOM 662 C PHE A 45 -0.568 -6.380 2.546 1.00 0.52 C ATOM 663 O PHE A 45 -0.144 -7.125 3.412 1.00 0.56 O ATOM 664 CB PHE A 45 -2.908 -5.489 2.567 1.00 0.61 C ATOM 665 CG PHE A 45 -3.818 -4.607 3.390 1.00 0.72 C ATOM 666 CD1 PHE A 45 -3.961 -4.838 4.764 1.00 1.00 C ATOM 667 CD2 PHE A 45 -4.518 -3.559 2.779 1.00 0.98 C ATOM 668 CE1 PHE A 45 -4.803 -4.021 5.527 1.00 1.22 C ATOM 669 CE2 PHE A 45 -5.361 -2.743 3.543 1.00 1.14 C ATOM 670 CZ PHE A 45 -5.503 -2.973 4.916 1.00 1.16 C ATOM 0 H PHE A 45 -1.693 -3.593 1.494 1.00 0.55 H new ATOM 0 HA PHE A 45 -1.360 -4.973 3.975 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -3.088 -5.324 1.505 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -3.122 -6.539 2.768 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -3.422 -5.647 5.235 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -4.408 -3.381 1.720 1.00 0.98 H new ATOM 0 HE1 PHE A 45 -4.913 -4.199 6.587 1.00 1.22 H new ATOM 0 HE2 PHE A 45 -5.902 -1.935 3.072 1.00 1.14 H new ATOM 0 HZ PHE A 45 -6.153 -2.342 5.505 1.00 1.16 H new ATOM 680 N ALA A 46 -0.288 -6.570 1.274 1.00 0.47 N ATOM 681 CA ALA A 46 0.572 -7.718 0.845 1.00 0.45 C ATOM 682 C ALA A 46 1.967 -7.576 1.466 1.00 0.47 C ATOM 683 O ALA A 46 2.551 -8.542 1.922 1.00 0.53 O ATOM 684 CB ALA A 46 0.691 -7.726 -0.681 1.00 0.45 C ATOM 0 H ALA A 46 -0.621 -5.976 0.515 1.00 0.47 H new ATOM 0 HA ALA A 46 0.120 -8.652 1.179 1.00 0.45 H new ATOM 0 HB1 ALA A 46 1.317 -8.562 -0.993 1.00 0.45 H new ATOM 0 HB2 ALA A 46 -0.300 -7.830 -1.123 1.00 0.45 H new ATOM 0 HB3 ALA A 46 1.141 -6.791 -1.016 1.00 0.45 H new ATOM 690 N ALA A 47 2.496 -6.373 1.493 1.00 0.48 N ATOM 691 CA ALA A 47 3.850 -6.143 2.087 1.00 0.53 C ATOM 692 C ALA A 47 3.794 -6.351 3.609 1.00 0.58 C ATOM 693 O ALA A 47 4.758 -6.782 4.215 1.00 0.63 O ATOM 694 CB ALA A 47 4.303 -4.711 1.785 1.00 0.58 C ATOM 0 H ALA A 47 2.042 -5.536 1.126 1.00 0.48 H new ATOM 0 HA ALA A 47 4.557 -6.850 1.653 1.00 0.53 H new ATOM 0 HB1 ALA A 47 5.289 -4.543 2.217 1.00 0.58 H new ATOM 0 HB2 ALA A 47 4.350 -4.564 0.706 1.00 0.58 H new ATOM 0 HB3 ALA A 47 3.592 -4.006 2.217 1.00 0.58 H new ATOM 700 N GLU A 48 2.669 -6.050 4.225 1.00 0.62 N ATOM 701 CA GLU A 48 2.532 -6.227 5.707 1.00 0.70 C ATOM 702 C GLU A 48 2.742 -7.702 6.074 1.00 0.68 C ATOM 703 O GLU A 48 3.535 -8.023 6.941 1.00 0.74 O ATOM 704 CB GLU A 48 1.130 -5.785 6.146 1.00 0.75 C ATOM 705 CG GLU A 48 1.227 -4.496 6.969 1.00 0.88 C ATOM 706 CD GLU A 48 0.855 -3.292 6.094 1.00 0.90 C ATOM 707 OE1 GLU A 48 -0.329 -3.038 5.938 1.00 1.06 O ATOM 708 OE2 GLU A 48 1.763 -2.645 5.595 1.00 1.22 O ATOM 0 H GLU A 48 1.837 -5.688 3.759 1.00 0.62 H new ATOM 0 HA GLU A 48 3.282 -5.620 6.214 1.00 0.70 H new ATOM 0 HB2 GLU A 48 0.499 -5.623 5.272 1.00 0.75 H new ATOM 0 HB3 GLU A 48 0.659 -6.570 6.737 1.00 0.75 H new ATOM 0 HG2 GLU A 48 0.560 -4.552 7.829 1.00 0.88 H new ATOM 0 HG3 GLU A 48 2.239 -4.377 7.357 1.00 0.88 H new ATOM 715 N GLU A 49 2.041 -8.597 5.413 1.00 0.63 N ATOM 716 CA GLU A 49 2.193 -10.059 5.707 1.00 0.65 C ATOM 717 C GLU A 49 3.574 -10.539 5.238 1.00 0.61 C ATOM 718 O GLU A 49 4.161 -11.429 5.827 1.00 0.67 O ATOM 719 CB GLU A 49 1.102 -10.840 4.964 1.00 0.66 C ATOM 720 CG GLU A 49 1.128 -12.314 5.392 1.00 0.75 C ATOM 721 CD GLU A 49 1.581 -13.189 4.215 1.00 0.74 C ATOM 722 OE1 GLU A 49 0.731 -13.589 3.436 1.00 0.87 O ATOM 723 OE2 GLU A 49 2.771 -13.445 4.115 1.00 0.85 O ATOM 0 H GLU A 49 1.368 -8.375 4.680 1.00 0.63 H new ATOM 0 HA GLU A 49 2.099 -10.226 6.780 1.00 0.65 H new ATOM 0 HB2 GLU A 49 0.124 -10.408 5.178 1.00 0.66 H new ATOM 0 HB3 GLU A 49 1.257 -10.762 3.888 1.00 0.66 H new ATOM 0 HG2 GLU A 49 1.805 -12.445 6.236 1.00 0.75 H new ATOM 0 HG3 GLU A 49 0.138 -12.623 5.727 1.00 0.75 H new ATOM 730 N PHE A 50 4.088 -9.959 4.176 1.00 0.54 N ATOM 731 CA PHE A 50 5.425 -10.374 3.647 1.00 0.53 C ATOM 732 C PHE A 50 6.564 -9.806 4.514 1.00 0.60 C ATOM 733 O PHE A 50 7.718 -10.137 4.309 1.00 0.65 O ATOM 734 CB PHE A 50 5.572 -9.863 2.209 1.00 0.48 C ATOM 735 CG PHE A 50 4.975 -10.866 1.247 1.00 0.46 C ATOM 736 CD1 PHE A 50 3.719 -11.436 1.506 1.00 0.51 C ATOM 737 CD2 PHE A 50 5.681 -11.233 0.097 1.00 0.65 C ATOM 738 CE1 PHE A 50 3.174 -12.365 0.615 1.00 0.55 C ATOM 739 CE2 PHE A 50 5.134 -12.162 -0.793 1.00 0.72 C ATOM 740 CZ PHE A 50 3.882 -12.729 -0.534 1.00 0.59 C ATOM 0 H PHE A 50 3.634 -9.211 3.652 1.00 0.54 H new ATOM 0 HA PHE A 50 5.489 -11.462 3.671 1.00 0.53 H new ATOM 0 HB2 PHE A 50 5.072 -8.900 2.102 1.00 0.48 H new ATOM 0 HB3 PHE A 50 6.625 -9.703 1.976 1.00 0.48 H new ATOM 0 HD1 PHE A 50 3.173 -11.157 2.395 1.00 0.51 H new ATOM 0 HD2 PHE A 50 6.649 -10.799 -0.104 1.00 0.65 H new ATOM 0 HE1 PHE A 50 2.206 -12.801 0.814 1.00 0.55 H new ATOM 0 HE2 PHE A 50 5.679 -12.442 -1.682 1.00 0.72 H new ATOM 0 HZ PHE A 50 3.462 -13.448 -1.222 1.00 0.59 H new ATOM 750 N LYS A 51 6.252 -8.959 5.479 1.00 0.64 N ATOM 751 CA LYS A 51 7.313 -8.371 6.361 1.00 0.73 C ATOM 752 C LYS A 51 8.251 -7.476 5.530 1.00 0.72 C ATOM 753 O LYS A 51 9.448 -7.430 5.757 1.00 0.81 O ATOM 754 CB LYS A 51 8.113 -9.503 7.030 1.00 0.82 C ATOM 755 CG LYS A 51 7.938 -9.429 8.551 1.00 1.01 C ATOM 756 CD LYS A 51 6.850 -10.414 8.994 1.00 1.12 C ATOM 757 CE LYS A 51 5.697 -9.649 9.651 1.00 1.19 C ATOM 758 NZ LYS A 51 4.407 -10.344 9.374 1.00 1.55 N ATOM 0 H LYS A 51 5.303 -8.652 5.690 1.00 0.64 H new ATOM 0 HA LYS A 51 6.843 -7.762 7.133 1.00 0.73 H new ATOM 0 HB2 LYS A 51 7.771 -10.470 6.661 1.00 0.82 H new ATOM 0 HB3 LYS A 51 9.168 -9.418 6.771 1.00 0.82 H new ATOM 0 HG2 LYS A 51 8.880 -9.665 9.047 1.00 1.01 H new ATOM 0 HG3 LYS A 51 7.667 -8.416 8.847 1.00 1.01 H new ATOM 0 HD2 LYS A 51 6.483 -10.976 8.135 1.00 1.12 H new ATOM 0 HD3 LYS A 51 7.265 -11.138 9.695 1.00 1.12 H new ATOM 0 HE2 LYS A 51 5.860 -9.580 10.727 1.00 1.19 H new ATOM 0 HE3 LYS A 51 5.661 -8.629 9.269 1.00 1.19 H new ATOM 0 HZ1 LYS A 51 3.628 -9.821 9.822 1.00 1.55 H new ATOM 0 HZ2 LYS A 51 4.250 -10.387 8.347 1.00 1.55 H new ATOM 0 HZ3 LYS A 51 4.443 -11.309 9.760 1.00 1.55 H new ATOM 772 N VAL A 52 7.708 -6.756 4.574 1.00 0.67 N ATOM 773 CA VAL A 52 8.548 -5.852 3.725 1.00 0.70 C ATOM 774 C VAL A 52 7.893 -4.463 3.651 1.00 0.70 C ATOM 775 O VAL A 52 6.698 -4.333 3.850 1.00 0.70 O ATOM 776 CB VAL A 52 8.684 -6.438 2.310 1.00 0.66 C ATOM 777 CG1 VAL A 52 9.543 -7.704 2.356 1.00 0.77 C ATOM 778 CG2 VAL A 52 7.300 -6.788 1.752 1.00 0.60 C ATOM 0 H VAL A 52 6.714 -6.757 4.346 1.00 0.67 H new ATOM 0 HA VAL A 52 9.540 -5.762 4.168 1.00 0.70 H new ATOM 0 HB VAL A 52 9.157 -5.697 1.666 1.00 0.66 H new ATOM 0 HG11 VAL A 52 9.637 -8.117 1.351 1.00 0.77 H new ATOM 0 HG12 VAL A 52 10.532 -7.458 2.742 1.00 0.77 H new ATOM 0 HG13 VAL A 52 9.072 -8.440 3.008 1.00 0.77 H new ATOM 0 HG21 VAL A 52 7.406 -7.202 0.749 1.00 0.60 H new ATOM 0 HG22 VAL A 52 6.822 -7.523 2.400 1.00 0.60 H new ATOM 0 HG23 VAL A 52 6.687 -5.888 1.710 1.00 0.60 H new ATOM 788 N PRO A 53 8.700 -3.463 3.365 1.00 0.76 N ATOM 789 CA PRO A 53 8.231 -2.067 3.255 1.00 0.82 C ATOM 790 C PRO A 53 7.506 -1.841 1.925 1.00 0.76 C ATOM 791 O PRO A 53 8.047 -2.083 0.864 1.00 0.75 O ATOM 792 CB PRO A 53 9.518 -1.244 3.328 1.00 0.92 C ATOM 793 CG PRO A 53 10.669 -2.195 2.914 1.00 0.91 C ATOM 794 CD PRO A 53 10.150 -3.630 3.123 1.00 0.82 C ATOM 0 HA PRO A 53 7.517 -1.797 4.032 1.00 0.82 H new ATOM 0 HB2 PRO A 53 9.467 -0.383 2.662 1.00 0.92 H new ATOM 0 HB3 PRO A 53 9.676 -0.858 4.335 1.00 0.92 H new ATOM 0 HG2 PRO A 53 10.951 -2.032 1.874 1.00 0.91 H new ATOM 0 HG3 PRO A 53 11.558 -2.013 3.517 1.00 0.91 H new ATOM 0 HD2 PRO A 53 10.338 -4.252 2.248 1.00 0.82 H new ATOM 0 HD3 PRO A 53 10.641 -4.112 3.968 1.00 0.82 H new ATOM 802 N ALA A 54 6.283 -1.377 1.989 1.00 0.81 N ATOM 803 CA ALA A 54 5.492 -1.126 0.742 1.00 0.82 C ATOM 804 C ALA A 54 6.058 0.086 -0.013 1.00 0.87 C ATOM 805 O ALA A 54 5.959 0.166 -1.225 1.00 0.90 O ATOM 806 CB ALA A 54 4.030 -0.862 1.110 1.00 0.93 C ATOM 0 H ALA A 54 5.794 -1.159 2.857 1.00 0.81 H new ATOM 0 HA ALA A 54 5.557 -2.004 0.099 1.00 0.82 H new ATOM 0 HB1 ALA A 54 3.454 -0.679 0.203 1.00 0.93 H new ATOM 0 HB2 ALA A 54 3.623 -1.730 1.630 1.00 0.93 H new ATOM 0 HB3 ALA A 54 3.970 0.011 1.760 1.00 0.93 H new ATOM 812 N ALA A 55 6.647 1.029 0.693 1.00 0.93 N ATOM 813 CA ALA A 55 7.220 2.238 0.024 1.00 1.02 C ATOM 814 C ALA A 55 8.332 1.824 -0.950 1.00 0.98 C ATOM 815 O ALA A 55 8.420 2.339 -2.050 1.00 1.08 O ATOM 816 CB ALA A 55 7.797 3.182 1.084 1.00 1.12 C ATOM 0 H ALA A 55 6.754 1.009 1.707 1.00 0.93 H new ATOM 0 HA ALA A 55 6.431 2.746 -0.531 1.00 1.02 H new ATOM 0 HB1 ALA A 55 8.215 4.063 0.598 1.00 1.12 H new ATOM 0 HB2 ALA A 55 7.006 3.487 1.769 1.00 1.12 H new ATOM 0 HB3 ALA A 55 8.581 2.669 1.640 1.00 1.12 H new ATOM 822 N THR A 56 9.178 0.898 -0.554 1.00 0.91 N ATOM 823 CA THR A 56 10.285 0.445 -1.456 1.00 0.91 C ATOM 824 C THR A 56 10.030 -1.005 -1.904 1.00 0.88 C ATOM 825 O THR A 56 10.934 -1.825 -1.941 1.00 1.31 O ATOM 826 CB THR A 56 11.629 0.541 -0.714 1.00 0.96 C ATOM 827 OG1 THR A 56 11.531 -0.115 0.545 1.00 0.97 O ATOM 828 CG2 THR A 56 11.994 2.011 -0.500 1.00 1.05 C ATOM 0 H THR A 56 9.148 0.438 0.356 1.00 0.91 H new ATOM 0 HA THR A 56 10.319 1.086 -2.337 1.00 0.91 H new ATOM 0 HB THR A 56 12.404 0.059 -1.311 1.00 0.96 H new ATOM 0 HG1 THR A 56 12.389 -0.053 1.014 1.00 0.97 H new ATOM 0 HG21 THR A 56 12.947 2.077 0.026 1.00 1.05 H new ATOM 0 HG22 THR A 56 12.078 2.509 -1.466 1.00 1.05 H new ATOM 0 HG23 THR A 56 11.218 2.496 0.093 1.00 1.05 H new ATOM 836 N SER A 57 8.803 -1.322 -2.252 1.00 0.62 N ATOM 837 CA SER A 57 8.476 -2.709 -2.706 1.00 0.58 C ATOM 838 C SER A 57 7.486 -2.651 -3.873 1.00 0.55 C ATOM 839 O SER A 57 6.648 -1.769 -3.950 1.00 0.60 O ATOM 840 CB SER A 57 7.859 -3.499 -1.550 1.00 0.61 C ATOM 841 OG SER A 57 7.587 -4.830 -1.973 1.00 0.71 O ATOM 0 H SER A 57 8.014 -0.676 -2.240 1.00 0.62 H new ATOM 0 HA SER A 57 9.391 -3.203 -3.033 1.00 0.58 H new ATOM 0 HB2 SER A 57 8.540 -3.509 -0.699 1.00 0.61 H new ATOM 0 HB3 SER A 57 6.940 -3.017 -1.217 1.00 0.61 H new ATOM 0 HG SER A 57 8.133 -5.041 -2.759 1.00 0.71 H new ATOM 847 N ALA A 58 7.582 -3.594 -4.776 1.00 0.54 N ATOM 848 CA ALA A 58 6.657 -3.625 -5.949 1.00 0.56 C ATOM 849 C ALA A 58 6.050 -5.027 -6.090 1.00 0.51 C ATOM 850 O ALA A 58 6.464 -5.964 -5.428 1.00 0.54 O ATOM 851 CB ALA A 58 7.437 -3.275 -7.218 1.00 0.64 C ATOM 0 H ALA A 58 8.267 -4.349 -4.750 1.00 0.54 H new ATOM 0 HA ALA A 58 5.857 -2.900 -5.800 1.00 0.56 H new ATOM 0 HB1 ALA A 58 6.765 -3.297 -8.076 1.00 0.64 H new ATOM 0 HB2 ALA A 58 7.866 -2.278 -7.118 1.00 0.64 H new ATOM 0 HB3 ALA A 58 8.237 -4.001 -7.365 1.00 0.64 H new ATOM 857 N ILE A 59 5.073 -5.174 -6.952 1.00 0.49 N ATOM 858 CA ILE A 59 4.435 -6.511 -7.151 1.00 0.47 C ATOM 859 C ILE A 59 4.442 -6.844 -8.646 1.00 0.47 C ATOM 860 O ILE A 59 3.889 -6.121 -9.450 1.00 0.47 O ATOM 861 CB ILE A 59 2.990 -6.471 -6.621 1.00 0.45 C ATOM 862 CG1 ILE A 59 3.005 -6.675 -5.101 1.00 0.47 C ATOM 863 CG2 ILE A 59 2.151 -7.579 -7.272 1.00 0.46 C ATOM 864 CD1 ILE A 59 1.640 -6.301 -4.517 1.00 0.52 C ATOM 0 H ILE A 59 4.690 -4.424 -7.527 1.00 0.49 H new ATOM 0 HA ILE A 59 4.988 -7.277 -6.607 1.00 0.47 H new ATOM 0 HB ILE A 59 2.549 -5.504 -6.865 1.00 0.45 H new ATOM 0 HG12 ILE A 59 3.240 -7.713 -4.866 1.00 0.47 H new ATOM 0 HG13 ILE A 59 3.785 -6.062 -4.650 1.00 0.47 H new ATOM 0 HG21 ILE A 59 1.132 -7.538 -6.887 1.00 0.46 H new ATOM 0 HG22 ILE A 59 2.137 -7.437 -8.353 1.00 0.46 H new ATOM 0 HG23 ILE A 59 2.588 -8.550 -7.039 1.00 0.46 H new ATOM 0 HD11 ILE A 59 1.654 -6.447 -3.437 1.00 0.52 H new ATOM 0 HD12 ILE A 59 1.423 -5.256 -4.739 1.00 0.52 H new ATOM 0 HD13 ILE A 59 0.870 -6.933 -4.959 1.00 0.52 H new ATOM 876 N ILE A 60 5.059 -7.938 -9.020 1.00 0.51 N ATOM 877 CA ILE A 60 5.095 -8.326 -10.465 1.00 0.54 C ATOM 878 C ILE A 60 4.008 -9.374 -10.743 1.00 0.52 C ATOM 879 O ILE A 60 3.379 -9.884 -9.834 1.00 0.55 O ATOM 880 CB ILE A 60 6.474 -8.903 -10.825 1.00 0.63 C ATOM 881 CG1 ILE A 60 6.784 -10.117 -9.940 1.00 0.69 C ATOM 882 CG2 ILE A 60 7.549 -7.833 -10.616 1.00 0.66 C ATOM 883 CD1 ILE A 60 7.278 -11.272 -10.814 1.00 0.79 C ATOM 0 H ILE A 60 5.539 -8.579 -8.388 1.00 0.51 H new ATOM 0 HA ILE A 60 4.912 -7.441 -11.075 1.00 0.54 H new ATOM 0 HB ILE A 60 6.466 -9.215 -11.869 1.00 0.63 H new ATOM 0 HG12 ILE A 60 7.541 -9.857 -9.200 1.00 0.69 H new ATOM 0 HG13 ILE A 60 5.892 -10.418 -9.391 1.00 0.69 H new ATOM 0 HG21 ILE A 60 8.526 -8.244 -10.872 1.00 0.66 H new ATOM 0 HG22 ILE A 60 7.338 -6.975 -11.255 1.00 0.66 H new ATOM 0 HG23 ILE A 60 7.550 -7.517 -9.573 1.00 0.66 H new ATOM 0 HD11 ILE A 60 7.499 -12.135 -10.186 1.00 0.79 H new ATOM 0 HD12 ILE A 60 6.506 -11.537 -11.537 1.00 0.79 H new ATOM 0 HD13 ILE A 60 8.181 -10.968 -11.343 1.00 0.79 H new ATOM 895 N THR A 61 3.783 -9.695 -11.993 1.00 0.55 N ATOM 896 CA THR A 61 2.740 -10.709 -12.341 1.00 0.57 C ATOM 897 C THR A 61 3.421 -12.041 -12.688 1.00 0.67 C ATOM 898 O THR A 61 4.587 -12.079 -13.041 1.00 0.72 O ATOM 899 CB THR A 61 1.917 -10.210 -13.540 1.00 0.54 C ATOM 900 OG1 THR A 61 1.428 -8.902 -13.267 1.00 0.53 O ATOM 901 CG2 THR A 61 0.733 -11.148 -13.787 1.00 0.61 C ATOM 0 H THR A 61 4.279 -9.297 -12.790 1.00 0.55 H new ATOM 0 HA THR A 61 2.074 -10.858 -11.491 1.00 0.57 H new ATOM 0 HB THR A 61 2.553 -10.190 -14.425 1.00 0.54 H new ATOM 0 HG1 THR A 61 0.771 -8.649 -13.949 1.00 0.53 H new ATOM 0 HG21 THR A 61 0.155 -10.788 -14.638 1.00 0.61 H new ATOM 0 HG22 THR A 61 1.102 -12.152 -13.998 1.00 0.61 H new ATOM 0 HG23 THR A 61 0.098 -11.173 -12.901 1.00 0.61 H new ATOM 909 N ASN A 62 2.695 -13.133 -12.585 1.00 0.73 N ATOM 910 CA ASN A 62 3.279 -14.479 -12.900 1.00 0.85 C ATOM 911 C ASN A 62 3.826 -14.509 -14.338 1.00 0.88 C ATOM 912 O ASN A 62 4.709 -15.290 -14.648 1.00 1.00 O ATOM 913 CB ASN A 62 2.194 -15.549 -12.748 1.00 0.92 C ATOM 914 CG ASN A 62 2.235 -16.122 -11.329 1.00 0.90 C ATOM 915 OD1 ASN A 62 1.749 -15.508 -10.399 1.00 1.02 O ATOM 916 ND2 ASN A 62 2.798 -17.282 -11.121 1.00 1.07 N ATOM 0 H ASN A 62 1.717 -13.149 -12.294 1.00 0.73 H new ATOM 0 HA ASN A 62 4.099 -14.676 -12.209 1.00 0.85 H new ATOM 0 HB2 ASN A 62 1.213 -15.118 -12.949 1.00 0.92 H new ATOM 0 HB3 ASN A 62 2.348 -16.344 -13.477 1.00 0.92 H new ATOM 0 HD21 ASN A 62 2.830 -17.672 -10.179 1.00 1.07 H new ATOM 0 HD22 ASN A 62 3.206 -17.798 -11.901 1.00 1.07 H new ATOM 923 N ASP A 63 3.315 -13.669 -15.212 1.00 0.82 N ATOM 924 CA ASP A 63 3.807 -13.650 -16.625 1.00 0.89 C ATOM 925 C ASP A 63 5.130 -12.878 -16.695 1.00 0.90 C ATOM 926 O ASP A 63 6.089 -13.336 -17.290 1.00 1.09 O ATOM 927 CB ASP A 63 2.770 -12.966 -17.523 1.00 0.87 C ATOM 928 CG ASP A 63 1.493 -13.814 -17.579 1.00 0.99 C ATOM 929 OD1 ASP A 63 1.421 -14.686 -18.429 1.00 1.17 O ATOM 930 OD2 ASP A 63 0.611 -13.574 -16.771 1.00 1.09 O ATOM 0 H ASP A 63 2.577 -12.996 -15.004 1.00 0.82 H new ATOM 0 HA ASP A 63 3.963 -14.673 -16.967 1.00 0.89 H new ATOM 0 HB2 ASP A 63 2.541 -11.972 -17.138 1.00 0.87 H new ATOM 0 HB3 ASP A 63 3.175 -12.834 -18.527 1.00 0.87 H new ATOM 935 N GLY A 64 5.189 -11.715 -16.085 1.00 0.81 N ATOM 936 CA GLY A 64 6.450 -10.910 -16.106 1.00 0.85 C ATOM 937 C GLY A 64 6.123 -9.424 -16.278 1.00 0.79 C ATOM 938 O GLY A 64 6.635 -8.772 -17.169 1.00 0.89 O ATOM 0 H GLY A 64 4.416 -11.290 -15.573 1.00 0.81 H new ATOM 0 HA2 GLY A 64 7.004 -11.064 -15.180 1.00 0.85 H new ATOM 0 HA3 GLY A 64 7.091 -11.246 -16.921 1.00 0.85 H new ATOM 942 N VAL A 65 5.279 -8.887 -15.427 1.00 0.69 N ATOM 943 CA VAL A 65 4.916 -7.439 -15.525 1.00 0.67 C ATOM 944 C VAL A 65 5.073 -6.790 -14.145 1.00 0.61 C ATOM 945 O VAL A 65 4.433 -7.188 -13.189 1.00 0.58 O ATOM 946 CB VAL A 65 3.466 -7.296 -16.008 1.00 0.65 C ATOM 947 CG1 VAL A 65 3.155 -5.820 -16.268 1.00 0.75 C ATOM 948 CG2 VAL A 65 3.273 -8.088 -17.305 1.00 0.83 C ATOM 0 H VAL A 65 4.825 -9.393 -14.666 1.00 0.69 H new ATOM 0 HA VAL A 65 5.574 -6.944 -16.239 1.00 0.67 H new ATOM 0 HB VAL A 65 2.794 -7.683 -15.242 1.00 0.65 H new ATOM 0 HG11 VAL A 65 2.125 -5.720 -16.611 1.00 0.75 H new ATOM 0 HG12 VAL A 65 3.287 -5.253 -15.347 1.00 0.75 H new ATOM 0 HG13 VAL A 65 3.831 -5.435 -17.032 1.00 0.75 H new ATOM 0 HG21 VAL A 65 2.243 -7.984 -17.645 1.00 0.83 H new ATOM 0 HG22 VAL A 65 3.948 -7.704 -18.070 1.00 0.83 H new ATOM 0 HG23 VAL A 65 3.491 -9.141 -17.124 1.00 0.83 H new ATOM 958 N GLY A 66 5.926 -5.798 -14.040 1.00 0.65 N ATOM 959 CA GLY A 66 6.152 -5.113 -12.732 1.00 0.62 C ATOM 960 C GLY A 66 4.965 -4.206 -12.405 1.00 0.58 C ATOM 961 O GLY A 66 4.958 -3.034 -12.738 1.00 0.62 O ATOM 0 H GLY A 66 6.480 -5.432 -14.814 1.00 0.65 H new ATOM 0 HA2 GLY A 66 6.283 -5.853 -11.942 1.00 0.62 H new ATOM 0 HA3 GLY A 66 7.069 -4.525 -12.774 1.00 0.62 H new ATOM 965 N VAL A 67 3.969 -4.747 -11.750 1.00 0.53 N ATOM 966 CA VAL A 67 2.768 -3.935 -11.379 1.00 0.52 C ATOM 967 C VAL A 67 3.146 -2.946 -10.270 1.00 0.50 C ATOM 968 O VAL A 67 3.732 -3.316 -9.265 1.00 0.52 O ATOM 969 CB VAL A 67 1.644 -4.855 -10.878 1.00 0.50 C ATOM 970 CG1 VAL A 67 0.342 -4.059 -10.774 1.00 0.57 C ATOM 971 CG2 VAL A 67 1.449 -6.019 -11.854 1.00 0.59 C ATOM 0 H VAL A 67 3.935 -5.723 -11.454 1.00 0.53 H new ATOM 0 HA VAL A 67 2.420 -3.391 -12.257 1.00 0.52 H new ATOM 0 HB VAL A 67 1.914 -5.248 -9.898 1.00 0.50 H new ATOM 0 HG11 VAL A 67 -0.456 -4.711 -10.419 1.00 0.57 H new ATOM 0 HG12 VAL A 67 0.475 -3.234 -10.074 1.00 0.57 H new ATOM 0 HG13 VAL A 67 0.078 -3.664 -11.755 1.00 0.57 H new ATOM 0 HG21 VAL A 67 0.651 -6.667 -11.492 1.00 0.59 H new ATOM 0 HG22 VAL A 67 1.183 -5.629 -12.837 1.00 0.59 H new ATOM 0 HG23 VAL A 67 2.374 -6.590 -11.929 1.00 0.59 H new ATOM 981 N ASN A 68 2.813 -1.692 -10.451 1.00 0.54 N ATOM 982 CA ASN A 68 3.143 -0.661 -9.421 1.00 0.55 C ATOM 983 C ASN A 68 1.890 -0.330 -8.594 1.00 0.51 C ATOM 984 O ASN A 68 0.778 -0.569 -9.033 1.00 0.51 O ATOM 985 CB ASN A 68 3.647 0.608 -10.117 1.00 0.65 C ATOM 986 CG ASN A 68 5.052 0.362 -10.675 1.00 0.80 C ATOM 987 OD1 ASN A 68 6.022 0.386 -9.944 1.00 0.92 O ATOM 988 ND2 ASN A 68 5.203 0.123 -11.951 1.00 1.00 N ATOM 0 H ASN A 68 2.324 -1.337 -11.273 1.00 0.54 H new ATOM 0 HA ASN A 68 3.917 -1.048 -8.758 1.00 0.55 H new ATOM 0 HB2 ASN A 68 2.968 0.887 -10.923 1.00 0.65 H new ATOM 0 HB3 ASN A 68 3.665 1.439 -9.412 1.00 0.65 H new ATOM 0 HD21 ASN A 68 6.134 -0.043 -12.332 1.00 1.00 H new ATOM 0 HD22 ASN A 68 4.389 0.103 -12.566 1.00 1.00 H new ATOM 995 N PRO A 69 2.114 0.218 -7.417 1.00 0.53 N ATOM 996 CA PRO A 69 1.030 0.605 -6.494 1.00 0.56 C ATOM 997 C PRO A 69 0.386 1.921 -6.960 1.00 0.66 C ATOM 998 O PRO A 69 0.487 2.944 -6.306 1.00 0.78 O ATOM 999 CB PRO A 69 1.748 0.765 -5.147 1.00 0.61 C ATOM 1000 CG PRO A 69 3.237 1.021 -5.474 1.00 0.62 C ATOM 1001 CD PRO A 69 3.470 0.502 -6.905 1.00 0.57 C ATOM 0 HA PRO A 69 0.217 -0.119 -6.441 1.00 0.56 H new ATOM 0 HB2 PRO A 69 1.327 1.594 -4.579 1.00 0.61 H new ATOM 0 HB3 PRO A 69 1.633 -0.131 -4.537 1.00 0.61 H new ATOM 0 HG2 PRO A 69 3.472 2.083 -5.404 1.00 0.62 H new ATOM 0 HG3 PRO A 69 3.884 0.504 -4.765 1.00 0.62 H new ATOM 0 HD2 PRO A 69 3.979 1.245 -7.519 1.00 0.57 H new ATOM 0 HD3 PRO A 69 4.091 -0.394 -6.907 1.00 0.57 H new ATOM 1009 N ALA A 70 -0.263 1.896 -8.099 1.00 0.65 N ATOM 1010 CA ALA A 70 -0.912 3.136 -8.636 1.00 0.77 C ATOM 1011 C ALA A 70 -2.257 2.792 -9.297 1.00 0.74 C ATOM 1012 O ALA A 70 -3.258 3.435 -9.040 1.00 0.82 O ATOM 1013 CB ALA A 70 0.012 3.784 -9.671 1.00 0.86 C ATOM 0 H ALA A 70 -0.372 1.067 -8.683 1.00 0.65 H new ATOM 0 HA ALA A 70 -1.090 3.828 -7.812 1.00 0.77 H new ATOM 0 HB1 ALA A 70 -0.457 4.686 -10.063 1.00 0.86 H new ATOM 0 HB2 ALA A 70 0.960 4.044 -9.200 1.00 0.86 H new ATOM 0 HB3 ALA A 70 0.192 3.084 -10.487 1.00 0.86 H new ATOM 1019 N GLN A 71 -2.282 1.790 -10.150 1.00 0.66 N ATOM 1020 CA GLN A 71 -3.557 1.403 -10.842 1.00 0.65 C ATOM 1021 C GLN A 71 -4.603 0.932 -9.818 1.00 0.61 C ATOM 1022 O GLN A 71 -4.258 0.494 -8.737 1.00 0.60 O ATOM 1023 CB GLN A 71 -3.275 0.266 -11.827 1.00 0.66 C ATOM 1024 CG GLN A 71 -2.602 0.823 -13.085 1.00 0.85 C ATOM 1025 CD GLN A 71 -1.616 -0.211 -13.634 1.00 1.07 C ATOM 1026 OE1 GLN A 71 -1.946 -0.968 -14.526 1.00 1.36 O ATOM 1027 NE2 GLN A 71 -0.411 -0.278 -13.135 1.00 1.33 N ATOM 0 H GLN A 71 -1.471 1.222 -10.397 1.00 0.66 H new ATOM 0 HA GLN A 71 -3.945 2.272 -11.373 1.00 0.65 H new ATOM 0 HB2 GLN A 71 -2.632 -0.481 -11.360 1.00 0.66 H new ATOM 0 HB3 GLN A 71 -4.205 -0.236 -12.093 1.00 0.66 H new ATOM 0 HG2 GLN A 71 -3.353 1.061 -13.838 1.00 0.85 H new ATOM 0 HG3 GLN A 71 -2.080 1.751 -12.851 1.00 0.85 H new ATOM 0 HE21 GLN A 71 -0.133 0.357 -12.387 1.00 1.33 H new ATOM 0 HE22 GLN A 71 0.252 -0.965 -13.494 1.00 1.33 H new ATOM 1036 N PRO A 72 -5.862 1.033 -10.198 1.00 0.63 N ATOM 1037 CA PRO A 72 -6.992 0.620 -9.343 1.00 0.62 C ATOM 1038 C PRO A 72 -7.150 -0.908 -9.355 1.00 0.58 C ATOM 1039 O PRO A 72 -6.716 -1.578 -10.274 1.00 0.57 O ATOM 1040 CB PRO A 72 -8.202 1.301 -9.991 1.00 0.69 C ATOM 1041 CG PRO A 72 -7.810 1.582 -11.460 1.00 0.72 C ATOM 1042 CD PRO A 72 -6.270 1.567 -11.517 1.00 0.69 C ATOM 0 HA PRO A 72 -6.861 0.900 -8.298 1.00 0.62 H new ATOM 0 HB2 PRO A 72 -9.082 0.660 -9.940 1.00 0.69 H new ATOM 0 HB3 PRO A 72 -8.451 2.226 -9.472 1.00 0.69 H new ATOM 0 HG2 PRO A 72 -8.229 0.826 -12.124 1.00 0.72 H new ATOM 0 HG3 PRO A 72 -8.200 2.546 -11.787 1.00 0.72 H new ATOM 0 HD2 PRO A 72 -5.908 0.938 -12.330 1.00 0.69 H new ATOM 0 HD3 PRO A 72 -5.868 2.566 -11.684 1.00 0.69 H new ATOM 1050 N ALA A 73 -7.765 -1.455 -8.333 1.00 0.59 N ATOM 1051 CA ALA A 73 -7.961 -2.937 -8.250 1.00 0.56 C ATOM 1052 C ALA A 73 -8.704 -3.444 -9.493 1.00 0.55 C ATOM 1053 O ALA A 73 -8.345 -4.459 -10.062 1.00 0.54 O ATOM 1054 CB ALA A 73 -8.773 -3.272 -6.995 1.00 0.59 C ATOM 0 H ALA A 73 -8.144 -0.931 -7.544 1.00 0.59 H new ATOM 0 HA ALA A 73 -6.987 -3.423 -8.199 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -8.917 -4.351 -6.932 1.00 0.59 H new ATOM 0 HB2 ALA A 73 -8.237 -2.925 -6.112 1.00 0.59 H new ATOM 0 HB3 ALA A 73 -9.744 -2.779 -7.047 1.00 0.59 H new ATOM 1060 N GLY A 74 -9.733 -2.744 -9.918 1.00 0.60 N ATOM 1061 CA GLY A 74 -10.503 -3.177 -11.125 1.00 0.60 C ATOM 1062 C GLY A 74 -9.559 -3.320 -12.328 1.00 0.59 C ATOM 1063 O GLY A 74 -9.617 -4.296 -13.052 1.00 0.59 O ATOM 0 H GLY A 74 -10.071 -1.889 -9.477 1.00 0.60 H new ATOM 0 HA2 GLY A 74 -11.000 -4.127 -10.928 1.00 0.60 H new ATOM 0 HA3 GLY A 74 -11.283 -2.449 -11.349 1.00 0.60 H new ATOM 1067 N ASN A 75 -8.693 -2.354 -12.541 1.00 0.62 N ATOM 1068 CA ASN A 75 -7.740 -2.425 -13.695 1.00 0.64 C ATOM 1069 C ASN A 75 -6.654 -3.477 -13.424 1.00 0.57 C ATOM 1070 O ASN A 75 -6.240 -4.186 -14.321 1.00 0.59 O ATOM 1071 CB ASN A 75 -7.085 -1.054 -13.901 1.00 0.72 C ATOM 1072 CG ASN A 75 -7.079 -0.700 -15.392 1.00 0.99 C ATOM 1073 OD1 ASN A 75 -8.111 -0.694 -16.036 1.00 1.57 O ATOM 1074 ND2 ASN A 75 -5.951 -0.398 -15.976 1.00 1.63 N ATOM 0 H ASN A 75 -8.606 -1.518 -11.963 1.00 0.62 H new ATOM 0 HA ASN A 75 -8.290 -2.708 -14.592 1.00 0.64 H new ATOM 0 HB2 ASN A 75 -7.628 -0.294 -13.340 1.00 0.72 H new ATOM 0 HB3 ASN A 75 -6.065 -1.067 -13.517 1.00 0.72 H new ATOM 0 HD21 ASN A 75 -5.938 -0.159 -16.967 1.00 1.63 H new ATOM 0 HD22 ASN A 75 -5.083 -0.401 -15.441 1.00 1.63 H new ATOM 1081 N ILE A 76 -6.194 -3.582 -12.195 1.00 0.52 N ATOM 1082 CA ILE A 76 -5.136 -4.589 -11.858 1.00 0.48 C ATOM 1083 C ILE A 76 -5.661 -6.003 -12.154 1.00 0.44 C ATOM 1084 O ILE A 76 -4.944 -6.837 -12.675 1.00 0.45 O ATOM 1085 CB ILE A 76 -4.769 -4.473 -10.369 1.00 0.49 C ATOM 1086 CG1 ILE A 76 -4.090 -3.117 -10.113 1.00 0.56 C ATOM 1087 CG2 ILE A 76 -3.817 -5.609 -9.972 1.00 0.45 C ATOM 1088 CD1 ILE A 76 -2.686 -3.100 -10.729 1.00 0.56 C ATOM 0 H ILE A 76 -6.508 -3.011 -11.410 1.00 0.52 H new ATOM 0 HA ILE A 76 -4.249 -4.400 -12.462 1.00 0.48 H new ATOM 0 HB ILE A 76 -5.677 -4.546 -9.770 1.00 0.49 H new ATOM 0 HG12 ILE A 76 -4.692 -2.315 -10.540 1.00 0.56 H new ATOM 0 HG13 ILE A 76 -4.026 -2.931 -9.041 1.00 0.56 H new ATOM 0 HG21 ILE A 76 -3.563 -5.518 -8.916 1.00 0.45 H new ATOM 0 HG22 ILE A 76 -4.303 -6.569 -10.147 1.00 0.45 H new ATOM 0 HG23 ILE A 76 -2.908 -5.548 -10.570 1.00 0.45 H new ATOM 0 HD11 ILE A 76 -2.217 -2.134 -10.540 1.00 0.56 H new ATOM 0 HD12 ILE A 76 -2.083 -3.890 -10.281 1.00 0.56 H new ATOM 0 HD13 ILE A 76 -2.758 -3.264 -11.804 1.00 0.56 H new ATOM 1100 N PHE A 77 -6.906 -6.268 -11.831 1.00 0.45 N ATOM 1101 CA PHE A 77 -7.490 -7.620 -12.095 1.00 0.45 C ATOM 1102 C PHE A 77 -7.792 -7.774 -13.595 1.00 0.48 C ATOM 1103 O PHE A 77 -7.616 -8.837 -14.161 1.00 0.54 O ATOM 1104 CB PHE A 77 -8.789 -7.779 -11.296 1.00 0.50 C ATOM 1105 CG PHE A 77 -9.148 -9.246 -11.193 1.00 0.48 C ATOM 1106 CD1 PHE A 77 -9.938 -9.843 -12.183 1.00 0.65 C ATOM 1107 CD2 PHE A 77 -8.690 -10.007 -10.110 1.00 0.51 C ATOM 1108 CE1 PHE A 77 -10.271 -11.198 -12.091 1.00 0.69 C ATOM 1109 CE2 PHE A 77 -9.023 -11.364 -10.019 1.00 0.54 C ATOM 1110 CZ PHE A 77 -9.813 -11.960 -11.008 1.00 0.55 C ATOM 0 H PHE A 77 -7.544 -5.602 -11.394 1.00 0.45 H new ATOM 0 HA PHE A 77 -6.776 -8.385 -11.791 1.00 0.45 H new ATOM 0 HB2 PHE A 77 -8.669 -7.353 -10.300 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -9.596 -7.230 -11.782 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -10.290 -9.256 -13.018 1.00 0.65 H new ATOM 0 HD2 PHE A 77 -8.081 -9.548 -9.346 1.00 0.51 H new ATOM 0 HE1 PHE A 77 -10.881 -11.657 -12.855 1.00 0.69 H new ATOM 0 HE2 PHE A 77 -8.670 -11.951 -9.184 1.00 0.54 H new ATOM 0 HZ PHE A 77 -10.070 -13.007 -10.937 1.00 0.55 H new ATOM 1120 N LEU A 78 -8.249 -6.720 -14.234 1.00 0.50 N ATOM 1121 CA LEU A 78 -8.572 -6.791 -15.695 1.00 0.57 C ATOM 1122 C LEU A 78 -7.291 -7.015 -16.514 1.00 0.62 C ATOM 1123 O LEU A 78 -7.301 -7.724 -17.504 1.00 0.72 O ATOM 1124 CB LEU A 78 -9.225 -5.475 -16.139 1.00 0.63 C ATOM 1125 CG LEU A 78 -10.695 -5.449 -15.709 1.00 0.68 C ATOM 1126 CD1 LEU A 78 -11.232 -4.020 -15.810 1.00 0.82 C ATOM 1127 CD2 LEU A 78 -11.514 -6.361 -16.627 1.00 0.85 C ATOM 0 H LEU A 78 -8.412 -5.810 -13.803 1.00 0.50 H new ATOM 0 HA LEU A 78 -9.256 -7.623 -15.863 1.00 0.57 H new ATOM 0 HB2 LEU A 78 -8.694 -4.630 -15.701 1.00 0.63 H new ATOM 0 HB3 LEU A 78 -9.152 -5.370 -17.222 1.00 0.63 H new ATOM 0 HG LEU A 78 -10.775 -5.799 -14.680 1.00 0.68 H new ATOM 0 HD11 LEU A 78 -12.278 -4.002 -15.504 1.00 0.82 H new ATOM 0 HD12 LEU A 78 -10.652 -3.366 -15.158 1.00 0.82 H new ATOM 0 HD13 LEU A 78 -11.149 -3.672 -16.840 1.00 0.82 H new ATOM 0 HD21 LEU A 78 -12.560 -6.342 -16.320 1.00 0.85 H new ATOM 0 HD22 LEU A 78 -11.431 -6.011 -17.656 1.00 0.85 H new ATOM 0 HD23 LEU A 78 -11.135 -7.381 -16.559 1.00 0.85 H new ATOM 1139 N LYS A 79 -6.197 -6.405 -16.116 1.00 0.65 N ATOM 1140 CA LYS A 79 -4.919 -6.564 -16.877 1.00 0.75 C ATOM 1141 C LYS A 79 -4.152 -7.800 -16.385 1.00 0.66 C ATOM 1142 O LYS A 79 -3.785 -8.657 -17.169 1.00 0.82 O ATOM 1143 CB LYS A 79 -4.049 -5.317 -16.679 1.00 0.87 C ATOM 1144 CG LYS A 79 -3.643 -4.752 -18.043 1.00 1.15 C ATOM 1145 CD LYS A 79 -2.397 -3.877 -17.884 1.00 1.76 C ATOM 1146 CE LYS A 79 -1.228 -4.498 -18.657 1.00 2.20 C ATOM 1147 NZ LYS A 79 -0.005 -4.510 -17.802 1.00 3.06 N ATOM 0 H LYS A 79 -6.137 -5.803 -15.295 1.00 0.65 H new ATOM 0 HA LYS A 79 -5.153 -6.690 -17.934 1.00 0.75 H new ATOM 0 HB2 LYS A 79 -4.597 -4.565 -16.111 1.00 0.87 H new ATOM 0 HB3 LYS A 79 -3.161 -5.569 -16.100 1.00 0.87 H new ATOM 0 HG2 LYS A 79 -3.442 -5.566 -18.740 1.00 1.15 H new ATOM 0 HG3 LYS A 79 -4.460 -4.166 -18.464 1.00 1.15 H new ATOM 0 HD2 LYS A 79 -2.597 -2.872 -18.254 1.00 1.76 H new ATOM 0 HD3 LYS A 79 -2.139 -3.783 -16.829 1.00 1.76 H new ATOM 0 HE2 LYS A 79 -1.480 -5.514 -18.961 1.00 2.20 H new ATOM 0 HE3 LYS A 79 -1.040 -3.930 -19.568 1.00 2.20 H new ATOM 0 HZ1 LYS A 79 0.804 -4.151 -18.348 1.00 3.06 H new ATOM 0 HZ2 LYS A 79 -0.157 -3.905 -16.970 1.00 3.06 H new ATOM 0 HZ3 LYS A 79 0.192 -5.483 -17.491 1.00 3.06 H new ATOM 1161 N HIS A 80 -3.890 -7.886 -15.101 1.00 0.54 N ATOM 1162 CA HIS A 80 -3.123 -9.054 -14.558 1.00 0.60 C ATOM 1163 C HIS A 80 -4.086 -10.138 -14.059 1.00 0.65 C ATOM 1164 O HIS A 80 -4.048 -11.264 -14.521 1.00 0.91 O ATOM 1165 CB HIS A 80 -2.227 -8.586 -13.402 1.00 0.59 C ATOM 1166 CG HIS A 80 -1.527 -7.313 -13.794 1.00 0.70 C ATOM 1167 ND1 HIS A 80 -0.502 -7.289 -14.728 1.00 0.90 N ATOM 1168 CD2 HIS A 80 -1.709 -6.009 -13.405 1.00 0.82 C ATOM 1169 CE1 HIS A 80 -0.112 -6.010 -14.869 1.00 1.04 C ATOM 1170 NE2 HIS A 80 -0.815 -5.188 -14.085 1.00 1.02 N ATOM 0 H HIS A 80 -4.175 -7.197 -14.405 1.00 0.54 H new ATOM 0 HA HIS A 80 -2.506 -9.472 -15.353 1.00 0.60 H new ATOM 0 HB2 HIS A 80 -2.826 -8.423 -12.506 1.00 0.59 H new ATOM 0 HB3 HIS A 80 -1.495 -9.357 -13.160 1.00 0.59 H new ATOM 0 HD2 HIS A 80 -2.436 -5.672 -12.681 1.00 0.82 H new ATOM 0 HE1 HIS A 80 0.674 -5.687 -15.535 1.00 1.04 H new ATOM 0 HE2 HIS A 80 -0.717 -4.176 -14.003 1.00 1.02 H new ATOM 1178 N GLY A 81 -4.943 -9.809 -13.119 1.00 0.54 N ATOM 1179 CA GLY A 81 -5.907 -10.820 -12.583 1.00 0.66 C ATOM 1180 C GLY A 81 -5.603 -11.093 -11.106 1.00 0.56 C ATOM 1181 O GLY A 81 -5.523 -10.179 -10.304 1.00 0.71 O ATOM 0 H GLY A 81 -5.015 -8.882 -12.701 1.00 0.54 H new ATOM 0 HA2 GLY A 81 -6.929 -10.456 -12.693 1.00 0.66 H new ATOM 0 HA3 GLY A 81 -5.835 -11.745 -13.156 1.00 0.66 H new ATOM 1185 N SER A 82 -5.440 -12.345 -10.743 1.00 0.49 N ATOM 1186 CA SER A 82 -5.148 -12.694 -9.316 1.00 0.46 C ATOM 1187 C SER A 82 -3.708 -13.213 -9.180 1.00 0.39 C ATOM 1188 O SER A 82 -3.027 -12.905 -8.220 1.00 0.44 O ATOM 1189 CB SER A 82 -6.124 -13.776 -8.847 1.00 0.57 C ATOM 1190 OG SER A 82 -6.266 -13.702 -7.433 1.00 0.71 O ATOM 0 H SER A 82 -5.497 -13.142 -11.377 1.00 0.49 H new ATOM 0 HA SER A 82 -5.263 -11.801 -8.702 1.00 0.46 H new ATOM 0 HB2 SER A 82 -7.093 -13.641 -9.329 1.00 0.57 H new ATOM 0 HB3 SER A 82 -5.758 -14.761 -9.136 1.00 0.57 H new ATOM 0 HG SER A 82 -6.686 -12.850 -7.191 1.00 0.71 H new ATOM 1196 N GLU A 83 -3.247 -14.005 -10.125 1.00 0.43 N ATOM 1197 CA GLU A 83 -1.854 -14.555 -10.047 1.00 0.50 C ATOM 1198 C GLU A 83 -0.831 -13.409 -10.068 1.00 0.48 C ATOM 1199 O GLU A 83 -0.561 -12.820 -11.100 1.00 0.63 O ATOM 1200 CB GLU A 83 -1.605 -15.491 -11.236 1.00 0.72 C ATOM 1201 CG GLU A 83 -1.472 -16.933 -10.736 1.00 1.16 C ATOM 1202 CD GLU A 83 -2.844 -17.614 -10.759 1.00 1.94 C ATOM 1203 OE1 GLU A 83 -3.543 -17.530 -9.760 1.00 2.46 O ATOM 1204 OE2 GLU A 83 -3.175 -18.204 -11.774 1.00 2.38 O ATOM 0 H GLU A 83 -3.778 -14.293 -10.947 1.00 0.43 H new ATOM 0 HA GLU A 83 -1.743 -15.111 -9.116 1.00 0.50 H new ATOM 0 HB2 GLU A 83 -2.427 -15.417 -11.948 1.00 0.72 H new ATOM 0 HB3 GLU A 83 -0.698 -15.193 -11.763 1.00 0.72 H new ATOM 0 HG2 GLU A 83 -0.771 -17.483 -11.364 1.00 1.16 H new ATOM 0 HG3 GLU A 83 -1.067 -16.942 -9.724 1.00 1.16 H new ATOM 1211 N LEU A 84 -0.265 -13.095 -8.925 1.00 0.40 N ATOM 1212 CA LEU A 84 0.744 -11.992 -8.842 1.00 0.42 C ATOM 1213 C LEU A 84 1.896 -12.414 -7.914 1.00 0.41 C ATOM 1214 O LEU A 84 1.835 -13.438 -7.256 1.00 0.43 O ATOM 1215 CB LEU A 84 0.074 -10.728 -8.290 1.00 0.44 C ATOM 1216 CG LEU A 84 -0.757 -10.060 -9.392 1.00 0.53 C ATOM 1217 CD1 LEU A 84 -2.046 -9.494 -8.793 1.00 0.84 C ATOM 1218 CD2 LEU A 84 0.051 -8.923 -10.026 1.00 0.64 C ATOM 0 H LEU A 84 -0.462 -13.561 -8.039 1.00 0.40 H new ATOM 0 HA LEU A 84 1.141 -11.787 -9.836 1.00 0.42 H new ATOM 0 HB2 LEU A 84 -0.564 -10.983 -7.444 1.00 0.44 H new ATOM 0 HB3 LEU A 84 0.830 -10.035 -7.921 1.00 0.44 H new ATOM 0 HG LEU A 84 -1.005 -10.800 -10.153 1.00 0.53 H new ATOM 0 HD11 LEU A 84 -2.635 -9.020 -9.578 1.00 0.84 H new ATOM 0 HD12 LEU A 84 -2.624 -10.302 -8.344 1.00 0.84 H new ATOM 0 HD13 LEU A 84 -1.799 -8.757 -8.029 1.00 0.84 H new ATOM 0 HD21 LEU A 84 -0.541 -8.449 -10.809 1.00 0.64 H new ATOM 0 HD22 LEU A 84 0.301 -8.185 -9.264 1.00 0.64 H new ATOM 0 HD23 LEU A 84 0.968 -9.325 -10.457 1.00 0.64 H new ATOM 1230 N ARG A 85 2.947 -11.629 -7.866 1.00 0.49 N ATOM 1231 CA ARG A 85 4.117 -11.968 -6.994 1.00 0.49 C ATOM 1232 C ARG A 85 4.651 -10.698 -6.315 1.00 0.46 C ATOM 1233 O ARG A 85 4.468 -9.599 -6.806 1.00 0.54 O ATOM 1234 CB ARG A 85 5.222 -12.587 -7.854 1.00 0.56 C ATOM 1235 CG ARG A 85 5.019 -14.102 -7.942 1.00 0.66 C ATOM 1236 CD ARG A 85 4.934 -14.525 -9.411 1.00 0.87 C ATOM 1237 NE ARG A 85 6.237 -15.115 -9.836 1.00 1.00 N ATOM 1238 CZ ARG A 85 6.272 -16.312 -10.359 1.00 1.36 C ATOM 1239 NH1 ARG A 85 6.283 -17.365 -9.580 1.00 1.76 N ATOM 1240 NH2 ARG A 85 6.298 -16.456 -11.661 1.00 1.70 N ATOM 0 H ARG A 85 3.045 -10.763 -8.397 1.00 0.49 H new ATOM 0 HA ARG A 85 3.802 -12.676 -6.228 1.00 0.49 H new ATOM 0 HB2 ARG A 85 5.207 -12.150 -8.852 1.00 0.56 H new ATOM 0 HB3 ARG A 85 6.199 -12.366 -7.423 1.00 0.56 H new ATOM 0 HG2 ARG A 85 5.844 -14.619 -7.452 1.00 0.66 H new ATOM 0 HG3 ARG A 85 4.107 -14.388 -7.418 1.00 0.66 H new ATOM 0 HD2 ARG A 85 4.133 -15.252 -9.545 1.00 0.87 H new ATOM 0 HD3 ARG A 85 4.692 -13.665 -10.035 1.00 0.87 H new ATOM 0 HE ARG A 85 7.100 -14.584 -9.718 1.00 1.00 H new ATOM 0 HH11 ARG A 85 6.264 -17.250 -8.567 1.00 1.76 H new ATOM 0 HH12 ARG A 85 6.310 -18.300 -9.987 1.00 1.76 H new ATOM 0 HH21 ARG A 85 6.291 -15.634 -12.265 1.00 1.70 H new ATOM 0 HH22 ARG A 85 6.325 -17.390 -12.070 1.00 1.70 H new ATOM 1254 N LEU A 86 5.307 -10.845 -5.185 1.00 0.43 N ATOM 1255 CA LEU A 86 5.853 -9.653 -4.463 1.00 0.43 C ATOM 1256 C LEU A 86 7.379 -9.600 -4.612 1.00 0.44 C ATOM 1257 O LEU A 86 8.071 -10.573 -4.370 1.00 0.59 O ATOM 1258 CB LEU A 86 5.494 -9.742 -2.976 1.00 0.45 C ATOM 1259 CG LEU A 86 5.467 -8.335 -2.368 1.00 0.53 C ATOM 1260 CD1 LEU A 86 4.234 -8.182 -1.471 1.00 0.65 C ATOM 1261 CD2 LEU A 86 6.734 -8.116 -1.538 1.00 0.65 C ATOM 0 H LEU A 86 5.487 -11.742 -4.733 1.00 0.43 H new ATOM 0 HA LEU A 86 5.418 -8.751 -4.893 1.00 0.43 H new ATOM 0 HB2 LEU A 86 4.522 -10.220 -2.854 1.00 0.45 H new ATOM 0 HB3 LEU A 86 6.222 -10.361 -2.452 1.00 0.45 H new ATOM 0 HG LEU A 86 5.422 -7.596 -3.168 1.00 0.53 H new ATOM 0 HD11 LEU A 86 4.219 -7.181 -1.041 1.00 0.65 H new ATOM 0 HD12 LEU A 86 3.332 -8.336 -2.063 1.00 0.65 H new ATOM 0 HD13 LEU A 86 4.273 -8.920 -0.670 1.00 0.65 H new ATOM 0 HD21 LEU A 86 6.717 -7.116 -1.105 1.00 0.65 H new ATOM 0 HD22 LEU A 86 6.778 -8.857 -0.740 1.00 0.65 H new ATOM 0 HD23 LEU A 86 7.610 -8.219 -2.178 1.00 0.65 H new ATOM 1273 N ILE A 87 7.900 -8.458 -4.996 1.00 0.45 N ATOM 1274 CA ILE A 87 9.380 -8.306 -5.155 1.00 0.49 C ATOM 1275 C ILE A 87 9.833 -7.019 -4.441 1.00 0.48 C ATOM 1276 O ILE A 87 9.248 -5.969 -4.637 1.00 0.55 O ATOM 1277 CB ILE A 87 9.737 -8.240 -6.652 1.00 0.61 C ATOM 1278 CG1 ILE A 87 11.234 -7.940 -6.815 1.00 0.67 C ATOM 1279 CG2 ILE A 87 8.919 -7.142 -7.344 1.00 0.74 C ATOM 1280 CD1 ILE A 87 11.678 -8.286 -8.238 1.00 0.84 C ATOM 0 H ILE A 87 7.358 -7.620 -5.207 1.00 0.45 H new ATOM 0 HA ILE A 87 9.890 -9.162 -4.712 1.00 0.49 H new ATOM 0 HB ILE A 87 9.505 -9.201 -7.111 1.00 0.61 H new ATOM 0 HG12 ILE A 87 11.428 -6.887 -6.609 1.00 0.67 H new ATOM 0 HG13 ILE A 87 11.811 -8.518 -6.093 1.00 0.67 H new ATOM 0 HG21 ILE A 87 9.180 -7.105 -8.402 1.00 0.74 H new ATOM 0 HG22 ILE A 87 7.856 -7.360 -7.240 1.00 0.74 H new ATOM 0 HG23 ILE A 87 9.138 -6.179 -6.882 1.00 0.74 H new ATOM 0 HD11 ILE A 87 12.741 -8.072 -8.350 1.00 0.84 H new ATOM 0 HD12 ILE A 87 11.499 -9.344 -8.428 1.00 0.84 H new ATOM 0 HD13 ILE A 87 11.110 -7.689 -8.952 1.00 0.84 H new ATOM 1292 N PRO A 88 10.863 -7.138 -3.629 1.00 0.49 N ATOM 1293 CA PRO A 88 11.413 -5.995 -2.874 1.00 0.55 C ATOM 1294 C PRO A 88 12.229 -5.088 -3.807 1.00 0.54 C ATOM 1295 O PRO A 88 13.426 -5.255 -3.968 1.00 0.57 O ATOM 1296 CB PRO A 88 12.298 -6.656 -1.809 1.00 0.65 C ATOM 1297 CG PRO A 88 12.651 -8.061 -2.348 1.00 0.68 C ATOM 1298 CD PRO A 88 11.575 -8.416 -3.392 1.00 0.58 C ATOM 0 HA PRO A 88 10.648 -5.356 -2.432 1.00 0.55 H new ATOM 0 HB2 PRO A 88 13.200 -6.069 -1.634 1.00 0.65 H new ATOM 0 HB3 PRO A 88 11.773 -6.726 -0.856 1.00 0.65 H new ATOM 0 HG2 PRO A 88 13.644 -8.065 -2.798 1.00 0.68 H new ATOM 0 HG3 PRO A 88 12.664 -8.793 -1.541 1.00 0.68 H new ATOM 0 HD2 PRO A 88 12.021 -8.799 -4.310 1.00 0.58 H new ATOM 0 HD3 PRO A 88 10.899 -9.186 -3.021 1.00 0.58 H new