USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -83:sc= -2.57! USER MOD Set 1.2: A 51 GLN : amide:sc= -16.6! C(o=-19!,f=-12!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -103:sc= -1.01 USER MOD Single : A 20 SER OG : rot -51:sc= 0.738 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -1.73 (180deg=-2.12!) USER MOD Single : A 37 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.38) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0337) USER MOD Single : A 39 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.632 K(o=0.63,f=-5!) USER MOD Single : A 45 MET CE :methyl -139:sc= 0 (180deg=-1.72!) USER MOD Single : A 46 ASN : amide:sc= -0.638 K(o=-0.64,f=-2.1) USER MOD Single : A 48 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -1.95 (180deg=-2.52) USER MOD Single : A 55 LYS NZ :NH3+ 135:sc= -0.897 (180deg=-1.35) USER MOD Single : A 56 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 0.059 14.329 -1.818 1.00 0.00 N ATOM 2 CA ILE A 6 1.014 14.694 -0.734 1.00 0.00 C ATOM 3 C ILE A 6 2.385 14.057 -1.053 1.00 0.00 C ATOM 4 O ILE A 6 2.442 12.921 -1.479 1.00 0.00 O ATOM 5 CB ILE A 6 0.448 14.166 0.624 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.210 15.328 1.391 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.554 13.541 1.502 1.00 0.00 C ATOM 8 CD1 ILE A 6 -0.865 14.811 2.673 1.00 0.00 C ATOM 0 HA ILE A 6 1.140 15.774 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.286 13.391 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.538 16.082 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.957 15.812 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.120 13.186 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.009 12.704 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.315 14.291 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.327 15.642 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.627 14.074 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.109 14.348 3.307 1.00 0.00 H new ATOM 20 N PRO A 7 3.488 14.746 -0.827 1.00 0.00 N ATOM 21 CA PRO A 7 4.825 14.149 -1.088 1.00 0.00 C ATOM 22 C PRO A 7 4.943 12.770 -0.425 1.00 0.00 C ATOM 23 O PRO A 7 4.899 12.642 0.780 1.00 0.00 O ATOM 24 CB PRO A 7 5.835 15.145 -0.490 1.00 0.00 C ATOM 25 CG PRO A 7 5.092 16.443 -0.305 1.00 0.00 C ATOM 26 CD PRO A 7 3.583 16.130 -0.320 1.00 0.00 C ATOM 0 HA PRO A 7 5.002 13.989 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.223 14.781 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.690 15.278 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.375 16.914 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.344 17.144 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.152 16.216 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.042 16.824 -0.963 1.00 0.00 H new ATOM 34 N ILE A 8 5.071 11.748 -1.216 1.00 0.00 N ATOM 35 CA ILE A 8 5.176 10.361 -0.691 1.00 0.00 C ATOM 36 C ILE A 8 5.957 10.302 0.646 1.00 0.00 C ATOM 37 O ILE A 8 5.567 9.608 1.564 1.00 0.00 O ATOM 38 CB ILE A 8 5.890 9.531 -1.765 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.642 8.048 -1.497 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.376 9.850 -1.759 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.616 7.166 -2.291 1.00 0.00 C ATOM 0 H ILE A 8 5.108 11.817 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 8 4.181 9.970 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 8 5.498 9.778 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.751 7.846 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.617 7.794 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.878 9.258 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.521 10.910 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.795 9.611 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.413 6.117 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.488 7.351 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.640 7.403 -2.002 1.00 0.00 H new ATOM 53 N TRP A 9 7.060 11.001 0.756 1.00 0.00 N ATOM 54 CA TRP A 9 7.866 10.958 2.028 1.00 0.00 C ATOM 55 C TRP A 9 7.142 11.732 3.146 1.00 0.00 C ATOM 56 O TRP A 9 7.714 11.982 4.188 1.00 0.00 O ATOM 57 CB TRP A 9 9.266 11.585 1.783 1.00 0.00 C ATOM 58 CG TRP A 9 9.164 12.535 0.641 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.737 13.814 0.725 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.444 12.285 -0.760 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.732 14.363 -0.540 1.00 0.00 N ATOM 62 CE2 TRP A 9 9.151 13.458 -1.490 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.912 11.160 -1.463 1.00 0.00 C ATOM 64 CZ2 TRP A 9 9.307 13.515 -2.869 1.00 0.00 C ATOM 65 CZ3 TRP A 9 10.064 11.213 -2.855 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.759 12.389 -3.553 1.00 0.00 C ATOM 0 H TRP A 9 7.441 11.600 0.024 1.00 0.00 H new ATOM 0 HA TRP A 9 7.981 9.919 2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.611 12.104 2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.997 10.806 1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.447 14.322 1.633 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.452 15.322 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.155 10.253 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.080 14.424 -3.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.417 10.345 -3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.875 12.423 -4.626 1.00 0.00 H new ATOM 77 N GLU A 10 5.900 12.116 2.942 1.00 0.00 N ATOM 78 CA GLU A 10 5.152 12.880 4.004 1.00 0.00 C ATOM 79 C GLU A 10 3.868 12.132 4.391 1.00 0.00 C ATOM 80 O GLU A 10 3.365 12.290 5.486 1.00 0.00 O ATOM 81 CB GLU A 10 4.795 14.283 3.478 1.00 0.00 C ATOM 82 CG GLU A 10 5.995 15.223 3.642 1.00 0.00 C ATOM 83 CD GLU A 10 6.130 15.643 5.108 1.00 0.00 C ATOM 84 OE1 GLU A 10 5.120 15.676 5.793 1.00 0.00 O ATOM 85 OE2 GLU A 10 7.242 15.925 5.521 1.00 0.00 O ATOM 0 H GLU A 10 5.371 11.935 2.089 1.00 0.00 H new ATOM 0 HA GLU A 10 5.786 12.972 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.508 14.225 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.936 14.677 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.906 14.725 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.867 16.104 3.012 1.00 0.00 H new ATOM 92 N ARG A 11 3.325 11.324 3.518 1.00 0.00 N ATOM 93 CA ARG A 11 2.073 10.591 3.884 1.00 0.00 C ATOM 94 C ARG A 11 2.413 9.398 4.775 1.00 0.00 C ATOM 95 O ARG A 11 3.563 9.056 4.970 1.00 0.00 O ATOM 96 CB ARG A 11 1.327 10.100 2.632 1.00 0.00 C ATOM 97 CG ARG A 11 2.270 9.327 1.701 1.00 0.00 C ATOM 98 CD ARG A 11 1.652 9.253 0.298 1.00 0.00 C ATOM 99 NE ARG A 11 0.172 9.151 0.407 1.00 0.00 N ATOM 100 CZ ARG A 11 -0.574 9.370 -0.642 1.00 0.00 C ATOM 101 NH1 ARG A 11 -0.019 9.656 -1.788 1.00 0.00 N ATOM 102 NH2 ARG A 11 -1.874 9.298 -0.547 1.00 0.00 N ATOM 0 H ARG A 11 3.686 11.140 2.582 1.00 0.00 H new ATOM 0 HA ARG A 11 1.423 11.282 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.495 9.460 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.901 10.951 2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.241 9.820 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.440 8.323 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.924 10.138 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.047 8.391 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.259 8.910 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.997 9.708 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.601 9.827 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.308 9.070 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.456 9.469 -1.367 1.00 0.00 H new ATOM 116 N TYR A 12 1.409 8.770 5.323 1.00 0.00 N ATOM 117 CA TYR A 12 1.629 7.594 6.220 1.00 0.00 C ATOM 118 C TYR A 12 1.368 6.308 5.430 1.00 0.00 C ATOM 119 O TYR A 12 1.765 5.230 5.826 1.00 0.00 O ATOM 120 CB TYR A 12 0.659 7.689 7.409 1.00 0.00 C ATOM 121 CG TYR A 12 -0.648 8.293 6.940 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.726 9.665 6.668 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.775 7.481 6.766 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.930 10.225 6.222 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.980 8.041 6.322 1.00 0.00 C ATOM 126 CZ TYR A 12 -3.057 9.412 6.049 1.00 0.00 C ATOM 127 OH TYR A 12 -4.243 9.964 5.609 1.00 0.00 O ATOM 0 H TYR A 12 0.431 9.024 5.187 1.00 0.00 H new ATOM 0 HA TYR A 12 2.654 7.585 6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.485 6.699 7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.093 8.301 8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.143 10.292 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.716 6.423 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.989 11.283 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.850 7.415 6.190 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.925 9.263 5.541 1.00 0.00 H new ATOM 137 N THR A 13 0.703 6.424 4.310 1.00 0.00 N ATOM 138 CA THR A 13 0.403 5.226 3.465 1.00 0.00 C ATOM 139 C THR A 13 0.693 5.584 2.000 1.00 0.00 C ATOM 140 O THR A 13 0.706 6.742 1.635 1.00 0.00 O ATOM 141 CB THR A 13 -1.075 4.844 3.642 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.864 6.025 3.606 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.303 4.128 4.994 1.00 0.00 C ATOM 0 H THR A 13 0.351 7.307 3.940 1.00 0.00 H new ATOM 0 HA THR A 13 1.021 4.378 3.761 1.00 0.00 H new ATOM 0 HB THR A 13 -1.359 4.167 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.867 6.443 4.492 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.357 3.868 5.095 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.700 3.221 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.013 4.790 5.810 1.00 0.00 H new ATOM 151 N LEU A 14 0.955 4.603 1.166 1.00 0.00 N ATOM 152 CA LEU A 14 1.281 4.884 -0.275 1.00 0.00 C ATOM 153 C LEU A 14 0.164 4.388 -1.189 1.00 0.00 C ATOM 154 O LEU A 14 -0.491 3.410 -0.917 1.00 0.00 O ATOM 155 CB LEU A 14 2.586 4.154 -0.637 1.00 0.00 C ATOM 156 CG LEU A 14 3.782 5.033 -0.279 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.817 5.286 1.237 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.068 4.343 -0.731 1.00 0.00 C ATOM 0 H LEU A 14 0.957 3.615 1.421 1.00 0.00 H new ATOM 0 HA LEU A 14 1.391 5.960 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.645 3.207 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.600 3.920 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 14 3.692 5.993 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.674 5.914 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.900 5.789 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.902 4.335 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.925 4.968 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.160 3.380 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.038 4.189 -1.810 1.00 0.00 H new ATOM 170 N THR A 15 -0.034 5.049 -2.293 1.00 0.00 N ATOM 171 CA THR A 15 -1.086 4.608 -3.243 1.00 0.00 C ATOM 172 C THR A 15 -0.545 3.453 -4.070 1.00 0.00 C ATOM 173 O THR A 15 0.611 3.091 -3.965 1.00 0.00 O ATOM 174 CB THR A 15 -1.450 5.760 -4.176 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.265 6.431 -4.581 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.364 6.736 -3.445 1.00 0.00 C ATOM 0 H THR A 15 0.489 5.877 -2.578 1.00 0.00 H new ATOM 0 HA THR A 15 -1.972 4.295 -2.690 1.00 0.00 H new ATOM 0 HB THR A 15 -1.965 5.370 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.177 7.269 -4.081 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.624 7.559 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.272 6.220 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.850 7.128 -2.567 1.00 0.00 H new ATOM 184 N ILE A 16 -1.356 2.879 -4.907 1.00 0.00 N ATOM 185 CA ILE A 16 -0.857 1.774 -5.740 1.00 0.00 C ATOM 186 C ILE A 16 0.293 2.320 -6.589 1.00 0.00 C ATOM 187 O ILE A 16 1.286 1.660 -6.817 1.00 0.00 O ATOM 188 CB ILE A 16 -1.989 1.267 -6.647 1.00 0.00 C ATOM 189 CG1 ILE A 16 -2.950 0.369 -5.837 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.397 0.486 -7.831 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.403 -1.064 -5.730 1.00 0.00 C ATOM 0 H ILE A 16 -2.335 3.129 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.511 0.945 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.549 2.119 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.089 0.785 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.930 0.354 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.204 0.129 -8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.740 1.139 -8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.827 -0.364 -7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.098 -1.677 -5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.289 -1.485 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.435 -1.047 -5.230 1.00 0.00 H new ATOM 203 N GLU A 17 0.153 3.531 -7.058 1.00 0.00 N ATOM 204 CA GLU A 17 1.224 4.136 -7.894 1.00 0.00 C ATOM 205 C GLU A 17 2.445 4.421 -7.020 1.00 0.00 C ATOM 206 O GLU A 17 3.558 4.095 -7.380 1.00 0.00 O ATOM 207 CB GLU A 17 0.723 5.433 -8.540 1.00 0.00 C ATOM 208 CG GLU A 17 0.165 6.372 -7.471 1.00 0.00 C ATOM 209 CD GLU A 17 -0.571 7.530 -8.144 1.00 0.00 C ATOM 210 OE1 GLU A 17 -1.652 7.300 -8.660 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.041 8.629 -8.133 1.00 0.00 O ATOM 0 H GLU A 17 -0.659 4.127 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 17 1.500 3.440 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.539 5.921 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.049 5.207 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.514 5.829 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.974 6.754 -6.849 1.00 0.00 H new ATOM 218 N GLU A 18 2.260 5.004 -5.862 1.00 0.00 N ATOM 219 CA GLU A 18 3.430 5.263 -4.996 1.00 0.00 C ATOM 220 C GLU A 18 3.998 3.911 -4.572 1.00 0.00 C ATOM 221 O GLU A 18 5.191 3.746 -4.416 1.00 0.00 O ATOM 222 CB GLU A 18 3.005 6.051 -3.753 1.00 0.00 C ATOM 223 CG GLU A 18 2.632 7.495 -4.117 1.00 0.00 C ATOM 224 CD GLU A 18 3.838 8.218 -4.723 1.00 0.00 C ATOM 225 OE1 GLU A 18 4.934 8.009 -4.236 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.642 8.970 -5.664 1.00 0.00 O ATOM 0 H GLU A 18 1.359 5.305 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 18 4.176 5.848 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.154 5.560 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.816 6.054 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.804 7.496 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.291 8.025 -3.228 1.00 0.00 H new ATOM 233 N ALA A 19 3.145 2.935 -4.395 1.00 0.00 N ATOM 234 CA ALA A 19 3.631 1.588 -3.994 1.00 0.00 C ATOM 235 C ALA A 19 4.432 0.983 -5.144 1.00 0.00 C ATOM 236 O ALA A 19 5.555 0.570 -4.978 1.00 0.00 O ATOM 237 CB ALA A 19 2.448 0.674 -3.669 1.00 0.00 C ATOM 0 H ALA A 19 2.135 3.016 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 19 4.259 1.684 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.817 -0.309 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.871 1.103 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.812 0.576 -4.549 1.00 0.00 H new ATOM 243 N SER A 20 3.872 0.919 -6.317 1.00 0.00 N ATOM 244 CA SER A 20 4.637 0.331 -7.447 1.00 0.00 C ATOM 245 C SER A 20 6.020 0.995 -7.529 1.00 0.00 C ATOM 246 O SER A 20 6.999 0.364 -7.854 1.00 0.00 O ATOM 247 CB SER A 20 3.871 0.552 -8.746 1.00 0.00 C ATOM 248 OG SER A 20 4.035 1.899 -9.168 1.00 0.00 O ATOM 0 H SER A 20 2.931 1.243 -6.541 1.00 0.00 H new ATOM 0 HA SER A 20 4.766 -0.739 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.235 -0.129 -9.516 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.814 0.332 -8.599 1.00 0.00 H new ATOM 0 HG SER A 20 3.827 2.502 -8.424 1.00 0.00 H new ATOM 254 N LYS A 21 6.115 2.259 -7.227 1.00 0.00 N ATOM 255 CA LYS A 21 7.449 2.933 -7.271 1.00 0.00 C ATOM 256 C LYS A 21 8.247 2.557 -6.012 1.00 0.00 C ATOM 257 O LYS A 21 9.315 1.983 -6.076 1.00 0.00 O ATOM 258 CB LYS A 21 7.250 4.454 -7.324 1.00 0.00 C ATOM 259 CG LYS A 21 8.528 5.131 -7.844 1.00 0.00 C ATOM 260 CD LYS A 21 8.530 6.626 -7.469 1.00 0.00 C ATOM 261 CE LYS A 21 9.125 6.821 -6.068 1.00 0.00 C ATOM 262 NZ LYS A 21 10.612 6.804 -6.158 1.00 0.00 N ATOM 0 H LYS A 21 5.334 2.855 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 21 7.996 2.611 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.409 4.697 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.006 4.832 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.405 4.642 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.592 5.020 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.109 7.191 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.513 7.017 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.786 7.766 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.780 6.031 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.019 6.936 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.926 5.891 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.931 7.573 -6.782 1.00 0.00 H new ATOM 276 N TYR A 22 7.717 2.898 -4.872 1.00 0.00 N ATOM 277 CA TYR A 22 8.387 2.598 -3.564 1.00 0.00 C ATOM 278 C TYR A 22 8.346 1.084 -3.294 1.00 0.00 C ATOM 279 O TYR A 22 9.358 0.426 -3.157 1.00 0.00 O ATOM 280 CB TYR A 22 7.583 3.334 -2.484 1.00 0.00 C ATOM 281 CG TYR A 22 8.428 3.691 -1.283 1.00 0.00 C ATOM 282 CD1 TYR A 22 9.189 4.866 -1.283 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.403 2.874 -0.148 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.929 5.221 -0.149 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.147 3.221 0.983 1.00 0.00 C ATOM 286 CZ TYR A 22 9.909 4.398 0.986 1.00 0.00 C ATOM 287 OH TYR A 22 10.638 4.747 2.105 1.00 0.00 O ATOM 0 H TYR A 22 6.825 3.385 -4.784 1.00 0.00 H new ATOM 0 HA TYR A 22 9.429 2.916 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.156 4.243 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.749 2.709 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.205 5.499 -2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.807 1.973 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.515 6.128 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.135 2.583 1.854 1.00 0.00 H new ATOM 0 HH TYR A 22 10.513 4.069 2.802 1.00 0.00 H new ATOM 297 N PHE A 23 7.157 0.548 -3.234 1.00 0.00 N ATOM 298 CA PHE A 23 6.956 -0.909 -2.993 1.00 0.00 C ATOM 299 C PHE A 23 6.869 -1.611 -4.339 1.00 0.00 C ATOM 300 O PHE A 23 5.814 -2.045 -4.742 1.00 0.00 O ATOM 301 CB PHE A 23 5.643 -1.134 -2.229 1.00 0.00 C ATOM 302 CG PHE A 23 5.853 -0.858 -0.766 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.709 0.441 -0.272 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.200 -1.903 0.089 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.913 0.698 1.087 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.406 -1.655 1.447 1.00 0.00 C ATOM 307 CZ PHE A 23 6.263 -0.354 1.948 1.00 0.00 C ATOM 0 H PHE A 23 6.292 1.076 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 23 7.786 -1.303 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.865 -0.481 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.300 -2.159 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.440 1.246 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.309 -2.905 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.802 1.701 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.675 -2.464 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.422 -0.160 2.998 1.00 0.00 H new ATOM 317 N ARG A 24 7.951 -1.679 -5.053 1.00 0.00 N ATOM 318 CA ARG A 24 7.920 -2.324 -6.398 1.00 0.00 C ATOM 319 C ARG A 24 7.314 -3.724 -6.320 1.00 0.00 C ATOM 320 O ARG A 24 8.004 -4.723 -6.352 1.00 0.00 O ATOM 321 CB ARG A 24 9.338 -2.394 -6.966 1.00 0.00 C ATOM 322 CG ARG A 24 9.796 -0.977 -7.370 1.00 0.00 C ATOM 323 CD ARG A 24 9.316 -0.632 -8.794 1.00 0.00 C ATOM 324 NE ARG A 24 10.343 -1.060 -9.804 1.00 0.00 N ATOM 325 CZ ARG A 24 11.557 -0.579 -9.795 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.879 0.386 -8.976 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.443 -1.039 -10.635 1.00 0.00 N ATOM 0 H ARG A 24 8.860 -1.316 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 24 7.294 -1.723 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.019 -2.811 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.363 -3.057 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.403 -0.247 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.883 -0.914 -7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.367 -1.128 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.139 0.440 -8.876 1.00 0.00 H new ATOM 0 HE ARG A 24 10.085 -1.744 -10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.181 0.768 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.829 0.757 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.187 -1.772 -11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.392 -0.665 -10.631 1.00 0.00 H new ATOM 341 N ILE A 25 6.013 -3.783 -6.252 1.00 0.00 N ATOM 342 CA ILE A 25 5.285 -5.082 -6.207 1.00 0.00 C ATOM 343 C ILE A 25 4.346 -5.099 -7.414 1.00 0.00 C ATOM 344 O ILE A 25 3.929 -4.060 -7.887 1.00 0.00 O ATOM 345 CB ILE A 25 4.453 -5.169 -4.919 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.351 -5.052 -3.677 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.696 -6.497 -4.884 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.486 -6.074 -3.723 1.00 0.00 C ATOM 0 H ILE A 25 5.408 -2.962 -6.225 1.00 0.00 H new ATOM 0 HA ILE A 25 5.981 -5.921 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 25 3.744 -4.342 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.765 -4.046 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.755 -5.205 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.107 -6.556 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.033 -6.561 -5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.408 -7.322 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.106 -5.969 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.068 -7.080 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.094 -5.902 -4.611 1.00 0.00 H new ATOM 360 N GLY A 26 4.011 -6.248 -7.930 1.00 0.00 N ATOM 361 CA GLY A 26 3.102 -6.283 -9.115 1.00 0.00 C ATOM 362 C GLY A 26 1.898 -5.368 -8.867 1.00 0.00 C ATOM 363 O GLY A 26 1.095 -5.609 -7.988 1.00 0.00 O ATOM 0 H GLY A 26 4.322 -7.157 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.639 -5.961 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.765 -7.303 -9.297 1.00 0.00 H new ATOM 367 N GLU A 27 1.768 -4.317 -9.637 1.00 0.00 N ATOM 368 CA GLU A 27 0.616 -3.383 -9.448 1.00 0.00 C ATOM 369 C GLU A 27 -0.675 -4.200 -9.297 1.00 0.00 C ATOM 370 O GLU A 27 -1.545 -3.879 -8.512 1.00 0.00 O ATOM 371 CB GLU A 27 0.495 -2.474 -10.680 1.00 0.00 C ATOM 372 CG GLU A 27 1.511 -1.330 -10.587 1.00 0.00 C ATOM 373 CD GLU A 27 1.712 -0.703 -11.969 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.806 -1.450 -12.929 1.00 0.00 O ATOM 375 OE2 GLU A 27 1.769 0.513 -12.043 1.00 0.00 O ATOM 0 H GLU A 27 2.410 -4.065 -10.389 1.00 0.00 H new ATOM 0 HA GLU A 27 0.776 -2.776 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.668 -3.052 -11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.515 -2.070 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.160 -0.576 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.461 -1.705 -10.206 1.00 0.00 H new ATOM 382 N ASN A 28 -0.796 -5.250 -10.062 1.00 0.00 N ATOM 383 CA ASN A 28 -2.017 -6.105 -10.004 1.00 0.00 C ATOM 384 C ASN A 28 -2.121 -6.819 -8.654 1.00 0.00 C ATOM 385 O ASN A 28 -3.202 -7.023 -8.136 1.00 0.00 O ATOM 386 CB ASN A 28 -1.943 -7.150 -11.115 1.00 0.00 C ATOM 387 CG ASN A 28 -3.274 -7.900 -11.203 1.00 0.00 C ATOM 388 OD1 ASN A 28 -4.215 -7.420 -11.803 1.00 0.00 O ATOM 389 ND2 ASN A 28 -3.392 -9.065 -10.628 1.00 0.00 N ATOM 0 H ASN A 28 -0.092 -5.556 -10.734 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.894 -5.471 -10.131 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.722 -6.668 -12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.132 -7.850 -10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.275 -9.573 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.602 -9.468 -10.124 1.00 0.00 H new ATOM 396 N LYS A 29 -1.017 -7.213 -8.080 1.00 0.00 N ATOM 397 CA LYS A 29 -1.084 -7.922 -6.770 1.00 0.00 C ATOM 398 C LYS A 29 -1.577 -6.943 -5.716 1.00 0.00 C ATOM 399 O LYS A 29 -2.601 -7.140 -5.098 1.00 0.00 O ATOM 400 CB LYS A 29 0.306 -8.419 -6.355 1.00 0.00 C ATOM 401 CG LYS A 29 1.016 -9.100 -7.522 1.00 0.00 C ATOM 402 CD LYS A 29 2.489 -9.266 -7.157 1.00 0.00 C ATOM 403 CE LYS A 29 3.152 -10.228 -8.137 1.00 0.00 C ATOM 404 NZ LYS A 29 3.128 -9.643 -9.507 1.00 0.00 N ATOM 0 H LYS A 29 -0.079 -7.076 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.757 -8.775 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.905 -7.580 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.213 -9.118 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.564 -10.070 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.914 -8.503 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.992 -8.299 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.582 -9.646 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.180 -10.422 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.631 -11.186 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.374 -10.377 -10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.176 -9.277 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.817 -8.866 -9.565 1.00 0.00 H new ATOM 418 N LEU A 30 -0.834 -5.890 -5.515 1.00 0.00 N ATOM 419 CA LEU A 30 -1.218 -4.859 -4.499 1.00 0.00 C ATOM 420 C LEU A 30 -2.737 -4.637 -4.504 1.00 0.00 C ATOM 421 O LEU A 30 -3.386 -4.706 -3.479 1.00 0.00 O ATOM 422 CB LEU A 30 -0.531 -3.536 -4.842 1.00 0.00 C ATOM 423 CG LEU A 30 0.994 -3.660 -4.712 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.648 -2.384 -5.268 1.00 0.00 C ATOM 425 CD2 LEU A 30 1.393 -3.844 -3.234 1.00 0.00 C ATOM 0 H LEU A 30 0.033 -5.694 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.909 -5.208 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.790 -3.240 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.894 -2.751 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 30 1.334 -4.529 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.732 -2.463 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.377 -2.264 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.300 -1.520 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.477 -3.930 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.056 -2.983 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.928 -4.749 -2.842 1.00 0.00 H new ATOM 437 N ARG A 31 -3.303 -4.364 -5.647 1.00 0.00 N ATOM 438 CA ARG A 31 -4.774 -4.129 -5.718 1.00 0.00 C ATOM 439 C ARG A 31 -5.529 -5.420 -5.392 1.00 0.00 C ATOM 440 O ARG A 31 -6.646 -5.390 -4.913 1.00 0.00 O ATOM 441 CB ARG A 31 -5.146 -3.670 -7.130 1.00 0.00 C ATOM 442 CG ARG A 31 -6.650 -3.402 -7.204 1.00 0.00 C ATOM 443 CD ARG A 31 -6.989 -2.783 -8.560 1.00 0.00 C ATOM 444 NE ARG A 31 -8.429 -2.403 -8.586 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.872 -1.599 -9.512 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.053 -1.123 -10.408 1.00 0.00 N ATOM 447 NH2 ARG A 31 -10.134 -1.270 -9.541 1.00 0.00 N ATOM 0 H ARG A 31 -2.810 -4.293 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.048 -3.362 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.593 -2.767 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.866 -4.433 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.203 -4.331 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.951 -2.731 -6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.367 -1.906 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.774 -3.492 -9.359 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.067 -2.771 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.066 -1.380 -10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.399 -0.494 -11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.774 -1.642 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.481 -0.641 -10.265 1.00 0.00 H new ATOM 461 N ARG A 32 -4.938 -6.555 -5.653 1.00 0.00 N ATOM 462 CA ARG A 32 -5.636 -7.842 -5.362 1.00 0.00 C ATOM 463 C ARG A 32 -5.476 -8.197 -3.883 1.00 0.00 C ATOM 464 O ARG A 32 -6.339 -8.805 -3.286 1.00 0.00 O ATOM 465 CB ARG A 32 -5.030 -8.958 -6.223 1.00 0.00 C ATOM 466 CG ARG A 32 -5.937 -10.206 -6.194 1.00 0.00 C ATOM 467 CD ARG A 32 -7.012 -10.110 -7.285 1.00 0.00 C ATOM 468 NE ARG A 32 -8.063 -11.136 -7.036 1.00 0.00 N ATOM 469 CZ ARG A 32 -9.217 -11.048 -7.640 1.00 0.00 C ATOM 470 NH1 ARG A 32 -9.450 -10.062 -8.462 1.00 0.00 N ATOM 471 NH2 ARG A 32 -10.137 -11.947 -7.419 1.00 0.00 N ATOM 0 H ARG A 32 -4.005 -6.647 -6.054 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.696 -7.735 -5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.910 -8.611 -7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.036 -9.213 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.337 -11.103 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.409 -10.298 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.454 -9.114 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.564 -10.263 -8.267 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.881 -11.907 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.730 -9.360 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.352 -9.994 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.954 -12.717 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.039 -11.880 -7.890 1.00 0.00 H new ATOM 485 N LEU A 33 -4.381 -7.831 -3.284 1.00 0.00 N ATOM 486 CA LEU A 33 -4.178 -8.161 -1.848 1.00 0.00 C ATOM 487 C LEU A 33 -5.238 -7.441 -1.002 1.00 0.00 C ATOM 488 O LEU A 33 -5.710 -7.956 -0.008 1.00 0.00 O ATOM 489 CB LEU A 33 -2.766 -7.711 -1.429 1.00 0.00 C ATOM 490 CG LEU A 33 -2.254 -8.571 -0.253 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.614 -9.859 -0.790 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.208 -7.785 0.547 1.00 0.00 C ATOM 0 H LEU A 33 -3.618 -7.318 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.276 -9.235 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.084 -7.797 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.783 -6.660 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.095 -8.824 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.255 -10.462 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.355 -10.425 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.778 -9.606 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.850 -8.396 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.371 -7.528 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.659 -6.872 0.937 1.00 0.00 H new ATOM 504 N ALA A 34 -5.604 -6.252 -1.389 1.00 0.00 N ATOM 505 CA ALA A 34 -6.625 -5.486 -0.613 1.00 0.00 C ATOM 506 C ALA A 34 -8.034 -5.947 -0.996 1.00 0.00 C ATOM 507 O ALA A 34 -8.830 -6.307 -0.152 1.00 0.00 O ATOM 508 CB ALA A 34 -6.483 -4.001 -0.939 1.00 0.00 C ATOM 0 H ALA A 34 -5.240 -5.773 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.469 -5.658 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.224 -3.433 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.483 -3.663 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.640 -3.846 -2.007 1.00 0.00 H new ATOM 514 N GLU A 35 -8.349 -5.917 -2.263 1.00 0.00 N ATOM 515 CA GLU A 35 -9.710 -6.331 -2.724 1.00 0.00 C ATOM 516 C GLU A 35 -10.157 -7.603 -1.982 1.00 0.00 C ATOM 517 O GLU A 35 -11.317 -7.764 -1.659 1.00 0.00 O ATOM 518 CB GLU A 35 -9.658 -6.584 -4.249 1.00 0.00 C ATOM 519 CG GLU A 35 -10.287 -5.410 -5.013 1.00 0.00 C ATOM 520 CD GLU A 35 -9.474 -4.139 -4.763 1.00 0.00 C ATOM 521 OE1 GLU A 35 -8.880 -4.038 -3.702 1.00 0.00 O ATOM 522 OE2 GLU A 35 -9.459 -3.288 -5.636 1.00 0.00 O ATOM 0 H GLU A 35 -7.717 -5.621 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.432 -5.543 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.624 -6.719 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.187 -7.506 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.316 -5.631 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.318 -5.264 -4.690 1.00 0.00 H new ATOM 529 N GLU A 36 -9.254 -8.504 -1.711 1.00 0.00 N ATOM 530 CA GLU A 36 -9.644 -9.756 -0.991 1.00 0.00 C ATOM 531 C GLU A 36 -9.659 -9.481 0.505 1.00 0.00 C ATOM 532 O GLU A 36 -10.554 -9.887 1.220 1.00 0.00 O ATOM 533 CB GLU A 36 -8.633 -10.864 -1.285 1.00 0.00 C ATOM 534 CG GLU A 36 -8.481 -11.021 -2.793 1.00 0.00 C ATOM 535 CD GLU A 36 -7.314 -11.962 -3.097 1.00 0.00 C ATOM 536 OE1 GLU A 36 -6.586 -12.288 -2.174 1.00 0.00 O ATOM 537 OE2 GLU A 36 -7.167 -12.339 -4.248 1.00 0.00 O ATOM 0 H GLU A 36 -8.266 -8.431 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.632 -10.073 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.670 -10.622 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.966 -11.803 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.402 -11.417 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.307 -10.049 -3.254 1.00 0.00 H new ATOM 544 N ASN A 37 -8.666 -8.786 0.980 1.00 0.00 N ATOM 545 CA ASN A 37 -8.594 -8.462 2.438 1.00 0.00 C ATOM 546 C ASN A 37 -9.097 -7.034 2.655 1.00 0.00 C ATOM 547 O ASN A 37 -8.471 -6.236 3.324 1.00 0.00 O ATOM 548 CB ASN A 37 -7.144 -8.571 2.913 1.00 0.00 C ATOM 549 CG ASN A 37 -6.560 -9.913 2.467 1.00 0.00 C ATOM 550 OD1 ASN A 37 -7.236 -10.922 2.493 1.00 0.00 O ATOM 551 ND2 ASN A 37 -5.323 -9.968 2.055 1.00 0.00 N ATOM 0 H ASN A 37 -7.894 -8.424 0.420 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.211 -9.160 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.554 -7.751 2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.098 -8.485 3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.924 -10.858 1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.755 -9.121 2.033 1.00 0.00 H new ATOM 558 N LYS A 38 -10.227 -6.709 2.088 1.00 0.00 N ATOM 559 CA LYS A 38 -10.789 -5.337 2.249 1.00 0.00 C ATOM 560 C LYS A 38 -10.725 -4.922 3.725 1.00 0.00 C ATOM 561 O LYS A 38 -10.619 -3.757 4.050 1.00 0.00 O ATOM 562 CB LYS A 38 -12.252 -5.335 1.759 1.00 0.00 C ATOM 563 CG LYS A 38 -12.613 -3.967 1.146 1.00 0.00 C ATOM 564 CD LYS A 38 -12.146 -3.902 -0.322 1.00 0.00 C ATOM 565 CE LYS A 38 -13.221 -4.491 -1.246 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.303 -3.487 -1.452 1.00 0.00 N ATOM 0 H LYS A 38 -10.789 -7.339 1.516 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.208 -4.626 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.395 -6.122 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.921 -5.556 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.690 -3.809 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.144 -3.168 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.943 -2.868 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.213 -4.453 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.780 -4.768 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.633 -5.401 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.942 -3.814 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.840 -3.369 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.883 -2.576 -1.726 1.00 0.00 H new ATOM 580 N ASN A 39 -10.796 -5.874 4.617 1.00 0.00 N ATOM 581 CA ASN A 39 -10.748 -5.556 6.073 1.00 0.00 C ATOM 582 C ASN A 39 -9.308 -5.680 6.569 1.00 0.00 C ATOM 583 O ASN A 39 -9.052 -5.781 7.752 1.00 0.00 O ATOM 584 CB ASN A 39 -11.629 -6.551 6.825 1.00 0.00 C ATOM 585 CG ASN A 39 -13.035 -6.551 6.222 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.887 -5.790 6.637 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.317 -7.379 5.253 1.00 0.00 N ATOM 0 H ASN A 39 -10.886 -6.866 4.397 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.106 -4.541 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.198 -7.550 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.675 -6.285 7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.252 -7.387 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.603 -8.018 4.904 1.00 0.00 H new ATOM 594 N ALA A 40 -8.367 -5.672 5.668 1.00 0.00 N ATOM 595 CA ALA A 40 -6.940 -5.789 6.070 1.00 0.00 C ATOM 596 C ALA A 40 -6.603 -4.691 7.086 1.00 0.00 C ATOM 597 O ALA A 40 -7.173 -3.621 7.078 1.00 0.00 O ATOM 598 CB ALA A 40 -6.054 -5.632 4.822 1.00 0.00 C ATOM 0 H ALA A 40 -8.527 -5.589 4.664 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.762 -6.763 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.005 -5.716 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.298 -6.413 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.230 -4.655 4.371 1.00 0.00 H new ATOM 604 N ASN A 41 -5.670 -4.948 7.954 1.00 0.00 N ATOM 605 CA ASN A 41 -5.273 -3.916 8.948 1.00 0.00 C ATOM 606 C ASN A 41 -4.294 -2.940 8.287 1.00 0.00 C ATOM 607 O ASN A 41 -4.058 -1.850 8.769 1.00 0.00 O ATOM 608 CB ASN A 41 -4.591 -4.592 10.136 1.00 0.00 C ATOM 609 CG ASN A 41 -3.379 -5.386 9.646 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.503 -6.242 8.793 1.00 0.00 O ATOM 611 ND2 ASN A 41 -2.203 -5.137 10.154 1.00 0.00 N ATOM 0 H ASN A 41 -5.163 -5.831 8.019 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.155 -3.378 9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.278 -3.843 10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.293 -5.255 10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.388 -5.661 9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.099 -4.418 10.870 1.00 0.00 H new ATOM 618 N TRP A 42 -3.689 -3.354 7.202 1.00 0.00 N ATOM 619 CA TRP A 42 -2.676 -2.495 6.506 1.00 0.00 C ATOM 620 C TRP A 42 -3.285 -1.722 5.326 1.00 0.00 C ATOM 621 O TRP A 42 -2.708 -0.758 4.863 1.00 0.00 O ATOM 622 CB TRP A 42 -1.562 -3.398 5.973 1.00 0.00 C ATOM 623 CG TRP A 42 -2.179 -4.531 5.219 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.416 -5.762 5.727 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.653 -4.558 3.840 1.00 0.00 C ATOM 626 NE1 TRP A 42 -3.008 -6.542 4.751 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.174 -5.845 3.570 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.681 -3.602 2.807 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.708 -6.172 2.325 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.216 -3.928 1.550 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.730 -5.209 1.310 1.00 0.00 C ATOM 0 H TRP A 42 -3.854 -4.260 6.763 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.297 -1.768 7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.895 -2.831 5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.958 -3.778 6.797 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.181 -6.083 6.731 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.288 -7.513 4.886 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.288 -2.611 2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.102 -7.161 2.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.231 -3.187 0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.143 -5.453 0.342 1.00 0.00 H new ATOM 642 N LEU A 43 -4.419 -2.127 4.809 1.00 0.00 N ATOM 643 CA LEU A 43 -5.004 -1.399 3.641 1.00 0.00 C ATOM 644 C LEU A 43 -5.929 -0.281 4.138 1.00 0.00 C ATOM 645 O LEU A 43 -6.385 -0.291 5.263 1.00 0.00 O ATOM 646 CB LEU A 43 -5.755 -2.426 2.756 1.00 0.00 C ATOM 647 CG LEU A 43 -7.286 -2.471 3.026 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.603 -2.570 4.540 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.000 -1.242 2.392 1.00 0.00 C ATOM 0 H LEU A 43 -4.961 -2.924 5.142 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.224 -0.928 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.586 -2.183 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.334 -3.417 2.926 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.670 -3.374 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.683 -2.599 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.158 -3.478 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.191 -1.702 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.069 -1.298 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.596 -0.325 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.835 -1.241 1.315 1.00 0.00 H new ATOM 661 N ILE A 44 -6.183 0.698 3.308 1.00 0.00 N ATOM 662 CA ILE A 44 -7.051 1.837 3.713 1.00 0.00 C ATOM 663 C ILE A 44 -7.905 2.250 2.507 1.00 0.00 C ATOM 664 O ILE A 44 -7.411 2.386 1.405 1.00 0.00 O ATOM 665 CB ILE A 44 -6.127 2.993 4.167 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.893 2.913 5.690 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.732 4.358 3.815 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.573 3.600 6.044 1.00 0.00 C ATOM 0 H ILE A 44 -5.820 0.754 2.356 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.719 1.569 4.532 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.177 2.890 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.717 3.391 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.870 1.871 6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.060 5.150 4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.870 4.427 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.696 4.468 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.410 3.542 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.753 3.102 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.614 4.646 5.739 1.00 0.00 H new ATOM 680 N MET A 45 -9.185 2.450 2.714 1.00 0.00 N ATOM 681 CA MET A 45 -10.090 2.854 1.591 1.00 0.00 C ATOM 682 C MET A 45 -10.557 4.295 1.796 1.00 0.00 C ATOM 683 O MET A 45 -11.308 4.591 2.704 1.00 0.00 O ATOM 684 CB MET A 45 -11.311 1.927 1.564 1.00 0.00 C ATOM 685 CG MET A 45 -10.880 0.480 1.250 1.00 0.00 C ATOM 686 SD MET A 45 -12.172 -0.338 0.279 1.00 0.00 S ATOM 687 CE MET A 45 -11.724 0.358 -1.333 1.00 0.00 C ATOM 0 H MET A 45 -9.645 2.350 3.619 1.00 0.00 H new ATOM 0 HA MET A 45 -9.548 2.780 0.648 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.822 1.960 2.526 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.022 2.273 0.813 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.941 0.481 0.697 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.705 -0.068 2.176 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.629 0.628 -1.877 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.109 1.246 -1.188 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.164 -0.381 -1.905 1.00 0.00 H new ATOM 697 N ASN A 46 -10.121 5.190 0.945 1.00 0.00 N ATOM 698 CA ASN A 46 -10.532 6.626 1.056 1.00 0.00 C ATOM 699 C ASN A 46 -11.415 6.977 -0.142 1.00 0.00 C ATOM 700 O ASN A 46 -10.952 7.503 -1.135 1.00 0.00 O ATOM 701 CB ASN A 46 -9.283 7.515 1.048 1.00 0.00 C ATOM 702 CG ASN A 46 -8.624 7.482 2.428 1.00 0.00 C ATOM 703 OD1 ASN A 46 -7.637 6.803 2.628 1.00 0.00 O ATOM 704 ND2 ASN A 46 -9.133 8.195 3.397 1.00 0.00 N ATOM 0 H ASN A 46 -9.491 4.986 0.169 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.082 6.787 1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.581 7.167 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.554 8.538 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.702 8.181 4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.962 8.765 3.229 1.00 0.00 H new ATOM 711 N GLY A 47 -12.683 6.678 -0.062 1.00 0.00 N ATOM 712 CA GLY A 47 -13.594 6.981 -1.201 1.00 0.00 C ATOM 713 C GLY A 47 -13.489 5.865 -2.229 1.00 0.00 C ATOM 714 O GLY A 47 -14.339 5.002 -2.316 1.00 0.00 O ATOM 0 H GLY A 47 -13.127 6.237 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.621 7.072 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.327 7.936 -1.653 1.00 0.00 H new ATOM 718 N ASN A 48 -12.452 5.882 -3.017 1.00 0.00 N ATOM 719 CA ASN A 48 -12.285 4.830 -4.053 1.00 0.00 C ATOM 720 C ASN A 48 -10.795 4.589 -4.311 1.00 0.00 C ATOM 721 O ASN A 48 -10.421 3.927 -5.259 1.00 0.00 O ATOM 722 CB ASN A 48 -12.962 5.309 -5.333 1.00 0.00 C ATOM 723 CG ASN A 48 -13.137 4.134 -6.296 1.00 0.00 C ATOM 724 OD1 ASN A 48 -12.744 4.210 -7.443 1.00 0.00 O ATOM 725 ND2 ASN A 48 -13.715 3.042 -5.876 1.00 0.00 N ATOM 0 H ASN A 48 -11.711 6.582 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.735 3.896 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.932 5.748 -5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.363 6.090 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.837 2.253 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.045 2.978 -4.913 1.00 0.00 H new ATOM 732 N ARG A 49 -9.942 5.131 -3.476 1.00 0.00 N ATOM 733 CA ARG A 49 -8.465 4.953 -3.662 1.00 0.00 C ATOM 734 C ARG A 49 -7.905 4.042 -2.564 1.00 0.00 C ATOM 735 O ARG A 49 -7.898 4.390 -1.400 1.00 0.00 O ATOM 736 CB ARG A 49 -7.777 6.320 -3.573 1.00 0.00 C ATOM 737 CG ARG A 49 -8.548 7.343 -4.413 1.00 0.00 C ATOM 738 CD ARG A 49 -8.595 6.882 -5.871 1.00 0.00 C ATOM 739 NE ARG A 49 -8.967 8.030 -6.744 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.771 7.960 -8.032 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.236 6.890 -8.554 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.105 8.961 -8.798 1.00 0.00 N ATOM 0 H ARG A 49 -10.206 5.693 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.280 4.502 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.732 6.648 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.749 6.244 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.560 7.458 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.068 8.319 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.625 6.484 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.319 6.075 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.375 8.871 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.971 6.108 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.083 6.836 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.520 9.799 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.952 8.906 -9.805 1.00 0.00 H new ATOM 756 N ILE A 50 -7.421 2.885 -2.928 1.00 0.00 N ATOM 757 CA ILE A 50 -6.844 1.961 -1.909 1.00 0.00 C ATOM 758 C ILE A 50 -5.403 2.384 -1.629 1.00 0.00 C ATOM 759 O ILE A 50 -4.574 2.380 -2.517 1.00 0.00 O ATOM 760 CB ILE A 50 -6.853 0.531 -2.453 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.299 0.083 -2.678 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.176 -0.404 -1.445 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.318 -1.261 -3.411 1.00 0.00 C ATOM 0 H ILE A 50 -7.400 2.539 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.434 2.002 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.311 0.496 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.814 -0.007 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.835 0.833 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.182 -1.423 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.147 -0.083 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.717 -0.372 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.350 -1.575 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.819 -1.157 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.798 -2.009 -2.812 1.00 0.00 H new ATOM 775 N GLN A 51 -5.093 2.759 -0.406 1.00 0.00 N ATOM 776 CA GLN A 51 -3.693 3.193 -0.082 1.00 0.00 C ATOM 777 C GLN A 51 -2.968 2.089 0.697 1.00 0.00 C ATOM 778 O GLN A 51 -3.541 1.402 1.519 1.00 0.00 O ATOM 779 CB GLN A 51 -3.727 4.504 0.738 1.00 0.00 C ATOM 780 CG GLN A 51 -2.499 5.368 0.393 1.00 0.00 C ATOM 781 CD GLN A 51 -2.539 6.683 1.174 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.504 6.971 1.854 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.519 7.503 1.105 1.00 0.00 N ATOM 0 H GLN A 51 -5.746 2.783 0.377 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.150 3.375 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.643 5.055 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.735 4.277 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.585 4.824 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.479 5.573 -0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.709 7.262 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.536 8.382 1.622 1.00 0.00 H new ATOM 792 N ILE A 52 -1.705 1.921 0.416 1.00 0.00 N ATOM 793 CA ILE A 52 -0.889 0.873 1.090 1.00 0.00 C ATOM 794 C ILE A 52 -0.172 1.466 2.302 1.00 0.00 C ATOM 795 O ILE A 52 0.268 2.595 2.280 1.00 0.00 O ATOM 796 CB ILE A 52 0.178 0.379 0.111 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.470 -0.033 -1.218 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.918 -0.807 0.721 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.602 -1.033 -0.974 1.00 0.00 C ATOM 0 H ILE A 52 -1.194 2.479 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.543 0.060 1.406 1.00 0.00 H new ATOM 0 HB ILE A 52 0.885 1.185 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.859 0.848 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.280 -0.476 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.678 -1.159 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.394 -0.499 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.211 -1.612 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.050 -1.314 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.203 -1.921 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.360 -0.577 -0.337 1.00 0.00 H new ATOM 811 N LYS A 53 -0.020 0.706 3.352 1.00 0.00 N ATOM 812 CA LYS A 53 0.705 1.233 4.544 1.00 0.00 C ATOM 813 C LYS A 53 2.201 1.026 4.334 1.00 0.00 C ATOM 814 O LYS A 53 2.618 0.080 3.700 1.00 0.00 O ATOM 815 CB LYS A 53 0.244 0.495 5.814 1.00 0.00 C ATOM 816 CG LYS A 53 0.612 1.315 7.088 1.00 0.00 C ATOM 817 CD LYS A 53 -0.652 1.892 7.758 1.00 0.00 C ATOM 818 CE LYS A 53 -1.568 0.759 8.270 1.00 0.00 C ATOM 819 NZ LYS A 53 -0.764 -0.462 8.556 1.00 0.00 N ATOM 0 H LYS A 53 -0.364 -0.251 3.437 1.00 0.00 H new ATOM 0 HA LYS A 53 0.491 2.295 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.833 0.334 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.712 -0.488 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.143 0.677 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.288 2.127 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.366 2.538 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.196 2.511 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.087 1.081 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.332 0.534 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.333 -1.130 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.484 -0.911 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.087 -0.199 9.093 1.00 0.00 H new ATOM 833 N ARG A 54 3.015 1.908 4.853 1.00 0.00 N ATOM 834 CA ARG A 54 4.493 1.764 4.680 1.00 0.00 C ATOM 835 C ARG A 54 5.103 1.222 5.974 1.00 0.00 C ATOM 836 O ARG A 54 6.284 0.956 6.051 1.00 0.00 O ATOM 837 CB ARG A 54 5.110 3.132 4.387 1.00 0.00 C ATOM 838 CG ARG A 54 4.889 4.062 5.582 1.00 0.00 C ATOM 839 CD ARG A 54 5.172 5.508 5.169 1.00 0.00 C ATOM 840 NE ARG A 54 5.400 6.334 6.387 1.00 0.00 N ATOM 841 CZ ARG A 54 5.939 7.517 6.280 1.00 0.00 C ATOM 842 NH1 ARG A 54 6.277 7.974 5.106 1.00 0.00 N ATOM 843 NH2 ARG A 54 6.142 8.241 7.347 1.00 0.00 N ATOM 0 H ARG A 54 2.720 2.723 5.390 1.00 0.00 H new ATOM 0 HA ARG A 54 4.693 1.081 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.176 3.026 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.660 3.561 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.864 3.970 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.543 3.774 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.047 5.548 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.333 5.906 4.598 1.00 0.00 H new ATOM 0 HE ARG A 54 5.135 5.975 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.120 7.406 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.699 8.899 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.879 7.882 8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.564 9.166 7.263 1.00 0.00 H new ATOM 857 N LYS A 55 4.309 1.084 7.003 1.00 0.00 N ATOM 858 CA LYS A 55 4.844 0.590 8.308 1.00 0.00 C ATOM 859 C LYS A 55 4.709 -0.934 8.401 1.00 0.00 C ATOM 860 O LYS A 55 5.689 -1.653 8.440 1.00 0.00 O ATOM 861 CB LYS A 55 4.040 1.241 9.444 1.00 0.00 C ATOM 862 CG LYS A 55 4.112 2.787 9.335 1.00 0.00 C ATOM 863 CD LYS A 55 2.776 3.412 9.764 1.00 0.00 C ATOM 864 CE LYS A 55 2.973 4.906 10.025 1.00 0.00 C ATOM 865 NZ LYS A 55 3.493 5.558 8.789 1.00 0.00 N ATOM 0 H LYS A 55 3.311 1.292 6.997 1.00 0.00 H new ATOM 0 HA LYS A 55 5.899 0.851 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.001 0.914 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.433 0.919 10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.918 3.166 9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.345 3.076 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.026 3.263 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.404 2.921 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.029 5.363 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.671 5.054 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.974 6.443 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.505 5.767 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.363 4.919 7.979 1.00 0.00 H new ATOM 879 N GLN A 56 3.504 -1.431 8.444 1.00 0.00 N ATOM 880 CA GLN A 56 3.309 -2.906 8.546 1.00 0.00 C ATOM 881 C GLN A 56 3.832 -3.586 7.280 1.00 0.00 C ATOM 882 O GLN A 56 4.013 -4.786 7.239 1.00 0.00 O ATOM 883 CB GLN A 56 1.819 -3.208 8.717 1.00 0.00 C ATOM 884 CG GLN A 56 1.315 -2.563 10.009 1.00 0.00 C ATOM 885 CD GLN A 56 1.942 -3.269 11.214 1.00 0.00 C ATOM 886 OE1 GLN A 56 2.476 -2.628 12.097 1.00 0.00 O ATOM 887 NE2 GLN A 56 1.902 -4.572 11.287 1.00 0.00 N ATOM 0 H GLN A 56 2.646 -0.881 8.413 1.00 0.00 H new ATOM 0 HA GLN A 56 3.859 -3.287 9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.259 -2.825 7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.656 -4.285 8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.570 -1.503 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.228 -2.630 10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.454 -5.111 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.319 -5.051 12.085 1.00 0.00 H new ATOM 896 N PHE A 57 4.074 -2.828 6.244 1.00 0.00 N ATOM 897 CA PHE A 57 4.584 -3.427 4.974 1.00 0.00 C ATOM 898 C PHE A 57 6.125 -3.412 4.989 1.00 0.00 C ATOM 899 O PHE A 57 6.765 -4.395 4.678 1.00 0.00 O ATOM 900 CB PHE A 57 4.034 -2.603 3.790 1.00 0.00 C ATOM 901 CG PHE A 57 3.783 -3.490 2.575 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.766 -4.383 2.126 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.565 -3.401 1.888 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.531 -5.179 1.000 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.333 -4.197 0.757 1.00 0.00 C ATOM 906 CZ PHE A 57 3.318 -5.086 0.314 1.00 0.00 C ATOM 0 H PHE A 57 3.940 -1.817 6.221 1.00 0.00 H new ATOM 0 HA PHE A 57 4.253 -4.461 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.106 -2.112 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.742 -1.816 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.707 -4.457 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.802 -2.717 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.290 -5.868 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.394 -4.124 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.141 -5.699 -0.557 1.00 0.00 H new ATOM 916 N GLU A 58 6.727 -2.310 5.356 1.00 0.00 N ATOM 917 CA GLU A 58 8.224 -2.251 5.392 1.00 0.00 C ATOM 918 C GLU A 58 8.774 -3.447 6.184 1.00 0.00 C ATOM 919 O GLU A 58 9.833 -3.964 5.885 1.00 0.00 O ATOM 920 CB GLU A 58 8.674 -0.936 6.074 1.00 0.00 C ATOM 921 CG GLU A 58 8.939 0.158 5.030 1.00 0.00 C ATOM 922 CD GLU A 58 9.539 1.383 5.722 1.00 0.00 C ATOM 923 OE1 GLU A 58 9.007 1.780 6.746 1.00 0.00 O ATOM 924 OE2 GLU A 58 10.522 1.902 5.218 1.00 0.00 O ATOM 0 H GLU A 58 6.252 -1.451 5.632 1.00 0.00 H new ATOM 0 HA GLU A 58 8.607 -2.285 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.906 -0.601 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.577 -1.114 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.621 -0.212 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.011 0.429 4.527 1.00 0.00 H new ATOM 931 N LYS A 59 8.080 -3.877 7.202 1.00 0.00 N ATOM 932 CA LYS A 59 8.593 -5.018 8.017 1.00 0.00 C ATOM 933 C LYS A 59 8.535 -6.309 7.202 1.00 0.00 C ATOM 934 O LYS A 59 9.066 -7.322 7.612 1.00 0.00 O ATOM 935 CB LYS A 59 7.723 -5.178 9.281 1.00 0.00 C ATOM 936 CG LYS A 59 8.298 -4.350 10.434 1.00 0.00 C ATOM 937 CD LYS A 59 8.469 -2.891 9.989 1.00 0.00 C ATOM 938 CE LYS A 59 8.516 -1.984 11.217 1.00 0.00 C ATOM 939 NZ LYS A 59 9.034 -0.642 10.826 1.00 0.00 N ATOM 0 H LYS A 59 7.185 -3.492 7.504 1.00 0.00 H new ATOM 0 HA LYS A 59 9.626 -4.816 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.702 -4.860 9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.676 -6.229 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.635 -4.401 11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.259 -4.760 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.385 -2.782 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.644 -2.599 9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.520 -1.889 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.156 -2.423 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.066 -0.025 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.991 -0.741 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.407 -0.223 10.110 1.00 0.00 H new ATOM 953 N ILE A 60 7.888 -6.293 6.065 1.00 0.00 N ATOM 954 CA ILE A 60 7.792 -7.537 5.240 1.00 0.00 C ATOM 955 C ILE A 60 8.080 -7.248 3.766 1.00 0.00 C ATOM 956 O ILE A 60 7.516 -7.869 2.899 1.00 0.00 O ATOM 957 CB ILE A 60 6.384 -8.121 5.370 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.351 -7.050 5.011 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.157 -8.580 6.811 1.00 0.00 C ATOM 960 CD1 ILE A 60 3.958 -7.680 4.963 1.00 0.00 C ATOM 0 H ILE A 60 7.423 -5.475 5.672 1.00 0.00 H new ATOM 0 HA ILE A 60 8.534 -8.247 5.604 1.00 0.00 H new ATOM 0 HB ILE A 60 6.279 -8.969 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.373 -6.247 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.594 -6.605 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.154 -8.997 6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.893 -9.341 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.262 -7.730 7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.222 -6.917 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.941 -8.468 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.717 -8.104 5.938 1.00 0.00 H new ATOM 972 N ILE A 61 8.941 -6.323 3.450 1.00 0.00 N ATOM 973 CA ILE A 61 9.206 -6.057 2.002 1.00 0.00 C ATOM 974 C ILE A 61 10.147 -7.148 1.449 1.00 0.00 C ATOM 975 O ILE A 61 10.059 -7.533 0.301 1.00 0.00 O ATOM 976 CB ILE A 61 9.815 -4.637 1.842 1.00 0.00 C ATOM 977 CG1 ILE A 61 9.270 -3.949 0.571 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.347 -4.688 1.772 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.451 -4.846 -0.663 1.00 0.00 C ATOM 0 H ILE A 61 9.464 -5.749 4.111 1.00 0.00 H new ATOM 0 HA ILE A 61 8.278 -6.090 1.432 1.00 0.00 H new ATOM 0 HB ILE A 61 9.524 -4.061 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.213 -3.717 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.787 -3.002 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.740 -3.677 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.739 -5.130 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.652 -5.293 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.059 -4.337 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.511 -5.057 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.912 -5.782 -0.515 1.00 0.00 H new ATOM 991 N ASP A 62 11.051 -7.642 2.261 1.00 0.00 N ATOM 992 CA ASP A 62 12.007 -8.698 1.788 1.00 0.00 C ATOM 993 C ASP A 62 11.516 -10.096 2.194 1.00 0.00 C ATOM 994 O ASP A 62 12.113 -11.095 1.843 1.00 0.00 O ATOM 995 CB ASP A 62 13.377 -8.445 2.424 1.00 0.00 C ATOM 996 CG ASP A 62 14.339 -9.570 2.037 1.00 0.00 C ATOM 997 OD1 ASP A 62 14.188 -10.106 0.952 1.00 0.00 O ATOM 998 OD2 ASP A 62 15.211 -9.876 2.834 1.00 0.00 O ATOM 0 H ASP A 62 11.170 -7.360 3.234 1.00 0.00 H new ATOM 0 HA ASP A 62 12.075 -8.653 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.772 -7.485 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.281 -8.392 3.508 1.00 0.00 H new ATOM 1003 N THR A 63 10.447 -10.179 2.937 1.00 0.00 N ATOM 1004 CA THR A 63 9.931 -11.517 3.374 1.00 0.00 C ATOM 1005 C THR A 63 9.030 -12.095 2.281 1.00 0.00 C ATOM 1006 O THR A 63 8.602 -13.230 2.347 1.00 0.00 O ATOM 1007 CB THR A 63 9.160 -11.326 4.705 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.860 -11.989 5.746 1.00 0.00 O ATOM 1009 CG2 THR A 63 7.716 -11.864 4.654 1.00 0.00 C ATOM 0 H THR A 63 9.904 -9.379 3.263 1.00 0.00 H new ATOM 0 HA THR A 63 10.748 -12.220 3.536 1.00 0.00 H new ATOM 0 HB THR A 63 9.098 -10.253 4.886 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.378 -11.871 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.232 -11.699 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.161 -11.342 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.733 -12.932 4.434 1.00 0.00 H new ATOM 1017 N LEU A 64 8.722 -11.318 1.292 1.00 0.00 N ATOM 1018 CA LEU A 64 7.827 -11.816 0.218 1.00 0.00 C ATOM 1019 C LEU A 64 8.613 -12.766 -0.695 1.00 0.00 C ATOM 1020 O LEU A 64 9.591 -12.387 -1.307 1.00 0.00 O ATOM 1021 CB LEU A 64 7.280 -10.631 -0.603 1.00 0.00 C ATOM 1022 CG LEU A 64 7.180 -9.356 0.257 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.712 -8.192 -0.617 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.183 -9.564 1.413 1.00 0.00 C ATOM 0 H LEU A 64 9.050 -10.359 1.178 1.00 0.00 H new ATOM 0 HA LEU A 64 6.988 -12.351 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.931 -10.446 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.297 -10.883 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 64 8.161 -9.134 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.640 -7.288 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.427 -8.032 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.734 -8.424 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.124 -8.654 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.198 -9.796 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.520 -10.389 2.040 1.00 0.00 H new