USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 713 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 31 LYS NZ :NH3+ 171:sc= 0.244 (180deg=0.0803) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.927 K(o=-0.93,f=-3.5!) USER MOD Set 3.1: A 17 MET CE :methyl 155:sc= -1.76 (180deg=-3.19) USER MOD Set 3.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.139 (180deg=-0.825) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0476 (180deg=-0.654) USER MOD Single : A 2 SER OG : rot 29:sc= 0.158 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.224) USER MOD Single : A 10 ASN : amide:sc= -0.78 K(o=-0.78,f=-3.2!) USER MOD Single : A 13 MET CE :methyl -126:sc= -2.09! (180deg=-3.76) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -10.5! C(o=-11!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot -175:sc= -2.64 USER MOD Single : A 26 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 27 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.0193 (180deg=-0.199) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= -0.455 (180deg=-0.523) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0239 (180deg=-0.205) USER MOD Single : A 51 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 55 HIS : no HE2:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 56 CYS SG : rot -80:sc= -6.84! USER MOD Single : A 61 ASN : amide:sc= -4.49! C(o=-4.5!,f=-0.98!) USER MOD Single : A 64 SER OG : rot 15:sc= 0.599 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot -11:sc= -0.47 USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= -0.0967 (180deg=-0.582) USER MOD Single : A 72 HIS : no HD1:sc= -2.83! K(o=-2.8!,f=-0.81) USER MOD Single : A 75 TYR OH : rot 180:sc= -2.51! USER MOD Single : A 77 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 80 GLN : amide:sc= -6.28! C(o=-6.3!,f=-6.5!) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -0.0769 (180deg=-0.287) USER MOD Single : A 88 SER OG : rot 56:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.718 14.977 10.186 1.00 0.00 N ATOM 2 CA MET A 1 10.738 13.518 9.904 1.00 0.00 C ATOM 3 C MET A 1 9.325 12.952 9.819 1.00 0.00 C ATOM 4 O MET A 1 9.070 11.992 9.093 1.00 0.00 O ATOM 5 CB MET A 1 11.522 12.818 11.014 1.00 0.00 C ATOM 6 CG MET A 1 12.958 13.300 11.141 1.00 0.00 C ATOM 7 SD MET A 1 13.855 12.464 12.463 1.00 0.00 S ATOM 8 CE MET A 1 12.858 12.909 13.882 1.00 0.00 C ATOM 0 H1 MET A 1 11.651 15.385 9.973 1.00 0.00 H new ATOM 0 H2 MET A 1 9.997 15.435 9.593 1.00 0.00 H new ATOM 0 H3 MET A 1 10.492 15.134 11.189 1.00 0.00 H new ATOM 0 HA MET A 1 11.217 13.347 8.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.010 12.974 11.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.523 11.744 10.825 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.477 13.138 10.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.962 14.374 11.327 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.445 12.785 14.792 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.542 13.948 13.793 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.980 12.265 13.926 1.00 0.00 H new ATOM 20 N SER A 2 8.407 13.554 10.570 1.00 0.00 N ATOM 21 CA SER A 2 7.018 13.112 10.582 1.00 0.00 C ATOM 22 C SER A 2 6.348 13.378 9.238 1.00 0.00 C ATOM 23 O SER A 2 6.458 14.472 8.684 1.00 0.00 O ATOM 24 CB SER A 2 6.246 13.817 11.699 1.00 0.00 C ATOM 25 OG SER A 2 6.260 15.222 11.519 1.00 0.00 O ATOM 0 H SER A 2 8.601 14.350 11.178 1.00 0.00 H new ATOM 0 HA SER A 2 7.008 12.037 10.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.216 13.459 11.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.686 13.566 12.664 1.00 0.00 H new ATOM 0 HG SER A 2 6.329 15.429 10.564 1.00 0.00 H new ATOM 31 N ASP A 3 5.654 12.370 8.718 1.00 0.00 N ATOM 32 CA ASP A 3 4.965 12.496 7.439 1.00 0.00 C ATOM 33 C ASP A 3 5.952 12.787 6.312 1.00 0.00 C ATOM 34 O ASP A 3 5.627 13.490 5.356 1.00 0.00 O ATOM 35 CB ASP A 3 3.910 13.602 7.509 1.00 0.00 C ATOM 36 CG ASP A 3 2.855 13.333 8.565 1.00 0.00 C ATOM 37 OD1 ASP A 3 2.942 12.286 9.240 1.00 0.00 O ATOM 38 OD2 ASP A 3 1.941 14.171 8.716 1.00 0.00 O ATOM 0 H ASP A 3 5.554 11.458 9.163 1.00 0.00 H new ATOM 0 HA ASP A 3 4.472 11.547 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.399 14.553 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.428 13.702 6.536 1.00 0.00 H new ATOM 43 N ARG A 4 7.159 12.244 6.434 1.00 0.00 N ATOM 44 CA ARG A 4 8.192 12.444 5.429 1.00 0.00 C ATOM 45 C ARG A 4 7.889 11.641 4.168 1.00 0.00 C ATOM 46 O ARG A 4 7.500 12.198 3.143 1.00 0.00 O ATOM 47 CB ARG A 4 9.556 12.045 5.994 1.00 0.00 C ATOM 48 CG ARG A 4 10.693 12.213 5.005 1.00 0.00 C ATOM 49 CD ARG A 4 12.029 11.824 5.616 1.00 0.00 C ATOM 50 NE ARG A 4 13.132 11.990 4.673 1.00 0.00 N ATOM 51 CZ ARG A 4 14.404 11.723 4.965 1.00 0.00 C ATOM 52 NH1 ARG A 4 14.736 11.278 6.172 1.00 0.00 N ATOM 53 NH2 ARG A 4 15.346 11.903 4.050 1.00 0.00 N ATOM 0 H ARG A 4 7.444 11.661 7.221 1.00 0.00 H new ATOM 0 HA ARG A 4 8.211 13.501 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.763 12.646 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.516 11.005 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.503 11.600 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.734 13.249 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.214 12.433 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.988 10.786 5.946 1.00 0.00 H new ATOM 0 HE ARG A 4 12.916 12.330 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.015 11.139 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.712 11.075 6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 4 15.097 12.246 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.320 11.699 4.274 1.00 0.00 H new ATOM 67 N LYS A 5 8.067 10.330 4.257 1.00 0.00 N ATOM 68 CA LYS A 5 7.813 9.445 3.127 1.00 0.00 C ATOM 69 C LYS A 5 7.732 7.991 3.590 1.00 0.00 C ATOM 70 O LYS A 5 8.095 7.071 2.860 1.00 0.00 O ATOM 71 CB LYS A 5 8.910 9.606 2.072 1.00 0.00 C ATOM 72 CG LYS A 5 8.628 8.874 0.767 1.00 0.00 C ATOM 73 CD LYS A 5 9.721 9.122 -0.259 1.00 0.00 C ATOM 74 CE LYS A 5 11.073 8.637 0.238 1.00 0.00 C ATOM 75 NZ LYS A 5 12.151 8.867 -0.764 1.00 0.00 N ATOM 0 H LYS A 5 8.387 9.855 5.101 1.00 0.00 H new ATOM 0 HA LYS A 5 6.856 9.718 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.043 10.667 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.852 9.243 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.544 7.804 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.669 9.201 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.470 8.613 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.776 10.187 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.324 9.152 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.014 7.573 0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.056 8.522 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.925 8.355 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.226 9.884 -0.966 1.00 0.00 H new ATOM 89 N ALA A 6 7.251 7.794 4.814 1.00 0.00 N ATOM 90 CA ALA A 6 7.120 6.453 5.379 1.00 0.00 C ATOM 91 C ALA A 6 6.560 6.507 6.796 1.00 0.00 C ATOM 92 O ALA A 6 7.296 6.735 7.756 1.00 0.00 O ATOM 93 CB ALA A 6 8.466 5.740 5.370 1.00 0.00 C ATOM 0 H ALA A 6 6.946 8.544 5.434 1.00 0.00 H new ATOM 0 HA ALA A 6 6.420 5.893 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.352 4.742 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.828 5.660 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.182 6.307 5.964 1.00 0.00 H new ATOM 99 N VAL A 7 5.253 6.298 6.920 1.00 0.00 N ATOM 100 CA VAL A 7 4.597 6.322 8.221 1.00 0.00 C ATOM 101 C VAL A 7 3.632 5.150 8.371 1.00 0.00 C ATOM 102 O VAL A 7 2.456 5.253 8.017 1.00 0.00 O ATOM 103 CB VAL A 7 3.830 7.641 8.438 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.208 7.682 9.826 1.00 0.00 C ATOM 105 CG2 VAL A 7 4.749 8.834 8.222 1.00 0.00 C ATOM 0 H VAL A 7 4.629 6.110 6.136 1.00 0.00 H new ATOM 0 HA VAL A 7 5.381 6.240 8.974 1.00 0.00 H new ATOM 0 HB VAL A 7 3.024 7.693 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.672 8.622 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.514 6.849 9.938 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.993 7.604 10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.190 9.757 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.578 8.787 8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.138 8.814 7.204 1.00 0.00 H new ATOM 115 N ILE A 8 4.134 4.038 8.898 1.00 0.00 N ATOM 116 CA ILE A 8 3.315 2.850 9.095 1.00 0.00 C ATOM 117 C ILE A 8 2.485 2.967 10.366 1.00 0.00 C ATOM 118 O ILE A 8 2.926 2.574 11.446 1.00 0.00 O ATOM 119 CB ILE A 8 4.177 1.568 9.167 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.916 1.350 7.847 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.314 0.356 9.497 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.924 2.429 7.535 1.00 0.00 C ATOM 0 H ILE A 8 5.104 3.936 9.196 1.00 0.00 H new ATOM 0 HA ILE A 8 2.651 2.777 8.233 1.00 0.00 H new ATOM 0 HB ILE A 8 4.911 1.693 9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.425 0.387 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.189 1.298 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.940 -0.535 9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.827 0.507 10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.556 0.228 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.410 2.209 6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.418 3.392 7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.674 2.466 8.325 1.00 0.00 H new ATOM 134 N LYS A 9 1.277 3.496 10.226 1.00 0.00 N ATOM 135 CA LYS A 9 0.381 3.649 11.364 1.00 0.00 C ATOM 136 C LYS A 9 0.102 2.295 12.012 1.00 0.00 C ATOM 137 O LYS A 9 -0.309 2.227 13.170 1.00 0.00 O ATOM 138 CB LYS A 9 -0.934 4.297 10.922 1.00 0.00 C ATOM 139 CG LYS A 9 -0.756 5.667 10.290 1.00 0.00 C ATOM 140 CD LYS A 9 -2.088 6.257 9.857 1.00 0.00 C ATOM 141 CE LYS A 9 -1.912 7.623 9.213 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.281 8.600 10.143 1.00 0.00 N ATOM 0 H LYS A 9 0.896 3.825 9.339 1.00 0.00 H new ATOM 0 HA LYS A 9 0.865 4.295 12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.432 3.639 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.593 4.388 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.274 6.337 11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.094 5.588 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.574 5.582 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.746 6.344 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.298 7.526 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.883 8.001 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.377 9.560 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.752 8.551 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.273 8.371 10.255 1.00 0.00 H new ATOM 156 N ASN A 10 0.332 1.220 11.255 1.00 0.00 N ATOM 157 CA ASN A 10 0.110 -0.138 11.750 1.00 0.00 C ATOM 158 C ASN A 10 0.298 -1.158 10.629 1.00 0.00 C ATOM 159 O ASN A 10 -0.274 -1.022 9.550 1.00 0.00 O ATOM 160 CB ASN A 10 -1.298 -0.274 12.342 1.00 0.00 C ATOM 161 CG ASN A 10 -1.584 -1.674 12.846 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.552 -2.642 12.084 1.00 0.00 O ATOM 163 ND2 ASN A 10 -1.869 -1.792 14.138 1.00 0.00 N ATOM 0 H ASN A 10 0.673 1.265 10.295 1.00 0.00 H new ATOM 0 HA ASN A 10 0.843 -0.334 12.532 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.413 0.434 13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.034 -0.007 11.584 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.072 -2.710 14.534 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.885 -0.965 14.734 1.00 0.00 H new ATOM 170 N ALA A 11 1.100 -2.181 10.893 1.00 0.00 N ATOM 171 CA ALA A 11 1.356 -3.220 9.903 1.00 0.00 C ATOM 172 C ALA A 11 1.555 -4.572 10.576 1.00 0.00 C ATOM 173 O ALA A 11 2.351 -4.700 11.505 1.00 0.00 O ATOM 174 CB ALA A 11 2.570 -2.862 9.064 1.00 0.00 C ATOM 0 H ALA A 11 1.583 -2.314 11.781 1.00 0.00 H new ATOM 0 HA ALA A 11 0.487 -3.290 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.749 -3.647 8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.391 -1.918 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.443 -2.764 9.710 1.00 0.00 H new ATOM 180 N ASP A 12 0.823 -5.579 10.108 1.00 0.00 N ATOM 181 CA ASP A 12 0.926 -6.913 10.684 1.00 0.00 C ATOM 182 C ASP A 12 1.088 -7.992 9.613 1.00 0.00 C ATOM 183 O ASP A 12 1.130 -9.180 9.936 1.00 0.00 O ATOM 184 CB ASP A 12 -0.311 -7.219 11.535 1.00 0.00 C ATOM 185 CG ASP A 12 -0.448 -6.285 12.723 1.00 0.00 C ATOM 186 OD1 ASP A 12 0.434 -5.421 12.906 1.00 0.00 O ATOM 187 OD2 ASP A 12 -1.437 -6.423 13.472 1.00 0.00 O ATOM 0 H ASP A 12 0.158 -5.497 9.339 1.00 0.00 H new ATOM 0 HA ASP A 12 1.819 -6.925 11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.203 -7.143 10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.257 -8.248 11.891 1.00 0.00 H new ATOM 192 N MET A 13 1.174 -7.597 8.343 1.00 0.00 N ATOM 193 CA MET A 13 1.325 -8.581 7.273 1.00 0.00 C ATOM 194 C MET A 13 2.787 -8.764 6.868 1.00 0.00 C ATOM 195 O MET A 13 3.162 -8.496 5.726 1.00 0.00 O ATOM 196 CB MET A 13 0.480 -8.200 6.053 1.00 0.00 C ATOM 197 CG MET A 13 0.539 -9.218 4.927 1.00 0.00 C ATOM 198 SD MET A 13 -0.495 -8.757 3.529 1.00 0.00 S ATOM 199 CE MET A 13 0.247 -7.195 3.061 1.00 0.00 C ATOM 0 H MET A 13 1.143 -6.625 8.035 1.00 0.00 H new ATOM 0 HA MET A 13 0.967 -9.533 7.664 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.557 -8.076 6.365 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.817 -7.234 5.676 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.571 -9.326 4.592 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.223 -10.191 5.304 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.521 -6.422 3.032 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.010 -6.922 3.790 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.703 -7.290 2.076 1.00 0.00 H new ATOM 209 N SER A 14 3.610 -9.231 7.806 1.00 0.00 N ATOM 210 CA SER A 14 5.019 -9.464 7.539 1.00 0.00 C ATOM 211 C SER A 14 5.746 -8.169 7.227 1.00 0.00 C ATOM 212 O SER A 14 5.538 -7.563 6.177 1.00 0.00 O ATOM 213 CB SER A 14 5.188 -10.450 6.380 1.00 0.00 C ATOM 214 OG SER A 14 6.559 -10.694 6.115 1.00 0.00 O ATOM 0 H SER A 14 3.319 -9.454 8.758 1.00 0.00 H new ATOM 0 HA SER A 14 5.459 -9.892 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.688 -11.388 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.707 -10.052 5.487 1.00 0.00 H new ATOM 0 HG SER A 14 6.641 -11.328 5.372 1.00 0.00 H new ATOM 220 N GLU A 15 6.603 -7.758 8.151 1.00 0.00 N ATOM 221 CA GLU A 15 7.391 -6.531 7.997 1.00 0.00 C ATOM 222 C GLU A 15 7.901 -6.376 6.563 1.00 0.00 C ATOM 223 O GLU A 15 8.026 -5.259 6.051 1.00 0.00 O ATOM 224 CB GLU A 15 8.574 -6.539 8.968 1.00 0.00 C ATOM 225 CG GLU A 15 8.162 -6.612 10.430 1.00 0.00 C ATOM 226 CD GLU A 15 9.350 -6.613 11.372 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.182 -7.538 11.276 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.448 -5.688 12.204 1.00 0.00 O ATOM 0 H GLU A 15 6.775 -8.257 9.024 1.00 0.00 H new ATOM 0 HA GLU A 15 6.741 -5.685 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.217 -7.389 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.168 -5.639 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.518 -5.765 10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.573 -7.515 10.593 1.00 0.00 H new ATOM 235 N ASP A 16 8.184 -7.502 5.917 1.00 0.00 N ATOM 236 CA ASP A 16 8.667 -7.492 4.542 1.00 0.00 C ATOM 237 C ASP A 16 7.721 -6.704 3.644 1.00 0.00 C ATOM 238 O ASP A 16 8.151 -6.027 2.712 1.00 0.00 O ATOM 239 CB ASP A 16 8.815 -8.922 4.017 1.00 0.00 C ATOM 240 CG ASP A 16 9.790 -9.743 4.837 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.976 -9.354 4.913 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.370 -10.773 5.406 1.00 0.00 O ATOM 0 H ASP A 16 8.087 -8.432 6.324 1.00 0.00 H new ATOM 0 HA ASP A 16 9.644 -7.008 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.840 -9.410 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.152 -8.892 2.981 1.00 0.00 H new ATOM 247 N MET A 17 6.426 -6.790 3.938 1.00 0.00 N ATOM 248 CA MET A 17 5.417 -6.078 3.163 1.00 0.00 C ATOM 249 C MET A 17 5.492 -4.582 3.423 1.00 0.00 C ATOM 250 O MET A 17 5.100 -3.782 2.578 1.00 0.00 O ATOM 251 CB MET A 17 4.015 -6.605 3.484 1.00 0.00 C ATOM 252 CG MET A 17 3.814 -8.064 3.114 1.00 0.00 C ATOM 253 SD MET A 17 4.069 -8.377 1.357 1.00 0.00 S ATOM 254 CE MET A 17 3.777 -10.143 1.283 1.00 0.00 C ATOM 0 H MET A 17 6.052 -7.346 4.707 1.00 0.00 H new ATOM 0 HA MET A 17 5.618 -6.254 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.824 -6.480 4.550 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.279 -6.000 2.955 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.503 -8.680 3.692 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.805 -8.369 3.391 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.459 -10.417 0.277 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.696 -10.674 1.531 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.998 -10.413 1.996 1.00 0.00 H new ATOM 264 N GLN A 18 6.022 -4.201 4.577 1.00 0.00 N ATOM 265 CA GLN A 18 6.170 -2.792 4.887 1.00 0.00 C ATOM 266 C GLN A 18 7.269 -2.222 4.008 1.00 0.00 C ATOM 267 O GLN A 18 7.148 -1.126 3.463 1.00 0.00 O ATOM 268 CB GLN A 18 6.495 -2.570 6.369 1.00 0.00 C ATOM 269 CG GLN A 18 5.308 -2.772 7.300 1.00 0.00 C ATOM 270 CD GLN A 18 4.928 -4.230 7.486 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.686 -4.954 6.523 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.856 -4.664 8.739 1.00 0.00 N ATOM 0 H GLN A 18 6.351 -4.839 5.302 1.00 0.00 H new ATOM 0 HA GLN A 18 5.227 -2.282 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.293 -3.252 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.877 -1.558 6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.541 -2.338 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.450 -2.228 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.065 -4.031 9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.592 -5.631 8.930 1.00 0.00 H new ATOM 281 N GLN A 19 8.334 -3.000 3.855 1.00 0.00 N ATOM 282 CA GLN A 19 9.457 -2.604 3.025 1.00 0.00 C ATOM 283 C GLN A 19 9.134 -2.804 1.547 1.00 0.00 C ATOM 284 O GLN A 19 9.587 -2.038 0.694 1.00 0.00 O ATOM 285 CB GLN A 19 10.700 -3.407 3.405 1.00 0.00 C ATOM 286 CG GLN A 19 11.920 -3.066 2.571 1.00 0.00 C ATOM 287 CD GLN A 19 13.143 -3.867 2.967 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.605 -3.797 4.107 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.676 -4.637 2.025 1.00 0.00 N ATOM 0 H GLN A 19 8.440 -3.912 4.299 1.00 0.00 H new ATOM 0 HA GLN A 19 9.653 -1.545 3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.928 -3.232 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.483 -4.470 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.698 -3.247 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.139 -2.003 2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.261 -4.665 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.500 -5.200 2.233 1.00 0.00 H new ATOM 298 N ASP A 20 8.342 -3.834 1.245 1.00 0.00 N ATOM 299 CA ASP A 20 7.963 -4.121 -0.134 1.00 0.00 C ATOM 300 C ASP A 20 6.894 -3.148 -0.611 1.00 0.00 C ATOM 301 O ASP A 20 7.038 -2.511 -1.651 1.00 0.00 O ATOM 302 CB ASP A 20 7.457 -5.559 -0.263 1.00 0.00 C ATOM 303 CG ASP A 20 8.521 -6.584 0.080 1.00 0.00 C ATOM 304 OD1 ASP A 20 9.655 -6.177 0.413 1.00 0.00 O ATOM 305 OD2 ASP A 20 8.221 -7.794 0.016 1.00 0.00 O ATOM 0 H ASP A 20 7.954 -4.478 1.934 1.00 0.00 H new ATOM 0 HA ASP A 20 8.847 -4.002 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.598 -5.698 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.110 -5.728 -1.282 1.00 0.00 H new ATOM 310 N ALA A 21 5.822 -3.039 0.163 1.00 0.00 N ATOM 311 CA ALA A 21 4.722 -2.144 -0.172 1.00 0.00 C ATOM 312 C ALA A 21 5.203 -0.701 -0.286 1.00 0.00 C ATOM 313 O ALA A 21 4.914 -0.021 -1.272 1.00 0.00 O ATOM 314 CB ALA A 21 3.616 -2.252 0.868 1.00 0.00 C ATOM 0 H ALA A 21 5.691 -3.561 1.030 1.00 0.00 H new ATOM 0 HA ALA A 21 4.325 -2.446 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.801 -1.578 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.244 -3.276 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.010 -1.980 1.847 1.00 0.00 H new ATOM 320 N VAL A 22 5.936 -0.236 0.722 1.00 0.00 N ATOM 321 CA VAL A 22 6.448 1.130 0.714 1.00 0.00 C ATOM 322 C VAL A 22 7.365 1.361 -0.485 1.00 0.00 C ATOM 323 O VAL A 22 7.182 2.318 -1.237 1.00 0.00 O ATOM 324 CB VAL A 22 7.204 1.463 2.018 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.818 2.855 1.948 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.269 1.356 3.213 1.00 0.00 C ATOM 0 H VAL A 22 6.187 -0.780 1.548 1.00 0.00 H new ATOM 0 HA VAL A 22 5.587 1.793 0.638 1.00 0.00 H new ATOM 0 HB VAL A 22 8.011 0.740 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.345 3.067 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.519 2.902 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.030 3.593 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.816 1.594 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.443 2.057 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.877 0.341 3.279 1.00 0.00 H new ATOM 336 N ASP A 23 8.345 0.480 -0.666 1.00 0.00 N ATOM 337 CA ASP A 23 9.272 0.602 -1.785 1.00 0.00 C ATOM 338 C ASP A 23 8.546 0.385 -3.102 1.00 0.00 C ATOM 339 O ASP A 23 8.921 0.951 -4.127 1.00 0.00 O ATOM 340 CB ASP A 23 10.427 -0.390 -1.643 1.00 0.00 C ATOM 341 CG ASP A 23 11.430 -0.281 -2.775 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.018 0.808 -2.943 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.628 -1.283 -3.493 1.00 0.00 O ATOM 0 H ASP A 23 8.516 -0.320 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 23 9.685 1.611 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.935 -0.217 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.029 -1.404 -1.611 1.00 0.00 H new ATOM 348 N CYS A 24 7.490 -0.415 -3.070 1.00 0.00 N ATOM 349 CA CYS A 24 6.706 -0.666 -4.267 1.00 0.00 C ATOM 350 C CYS A 24 5.915 0.588 -4.610 1.00 0.00 C ATOM 351 O CYS A 24 5.689 0.898 -5.780 1.00 0.00 O ATOM 352 CB CYS A 24 5.767 -1.854 -4.061 1.00 0.00 C ATOM 353 SG CYS A 24 4.856 -2.334 -5.545 1.00 0.00 S ATOM 0 H CYS A 24 7.159 -0.897 -2.234 1.00 0.00 H new ATOM 0 HA CYS A 24 7.375 -0.913 -5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.348 -2.707 -3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.055 -1.609 -3.273 1.00 0.00 H new ATOM 0 HG CYS A 24 4.012 -3.278 -5.250 1.00 0.00 H new ATOM 359 N ALA A 25 5.529 1.323 -3.572 1.00 0.00 N ATOM 360 CA ALA A 25 4.797 2.567 -3.741 1.00 0.00 C ATOM 361 C ALA A 25 5.766 3.707 -4.039 1.00 0.00 C ATOM 362 O ALA A 25 5.392 4.711 -4.644 1.00 0.00 O ATOM 363 CB ALA A 25 3.975 2.873 -2.498 1.00 0.00 C ATOM 0 H ALA A 25 5.714 1.074 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 25 4.114 2.462 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.433 3.808 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.265 2.065 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.638 2.966 -1.637 1.00 0.00 H new ATOM 369 N THR A 26 7.023 3.536 -3.622 1.00 0.00 N ATOM 370 CA THR A 26 8.048 4.541 -3.859 1.00 0.00 C ATOM 371 C THR A 26 8.575 4.411 -5.281 1.00 0.00 C ATOM 372 O THR A 26 8.733 5.403 -5.993 1.00 0.00 O ATOM 373 CB THR A 26 9.194 4.386 -2.856 1.00 0.00 C ATOM 374 OG1 THR A 26 8.720 4.522 -1.529 1.00 0.00 O ATOM 375 CG2 THR A 26 10.304 5.396 -3.053 1.00 0.00 C ATOM 0 H THR A 26 7.350 2.710 -3.120 1.00 0.00 H new ATOM 0 HA THR A 26 7.608 5.530 -3.728 1.00 0.00 H new ATOM 0 HB THR A 26 9.598 3.389 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.231 3.712 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.083 5.230 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.725 5.283 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.904 6.403 -2.940 1.00 0.00 H new ATOM 383 N GLN A 27 8.824 3.171 -5.694 1.00 0.00 N ATOM 384 CA GLN A 27 9.310 2.900 -7.039 1.00 0.00 C ATOM 385 C GLN A 27 8.183 3.065 -8.050 1.00 0.00 C ATOM 386 O GLN A 27 8.418 3.400 -9.211 1.00 0.00 O ATOM 387 CB GLN A 27 9.892 1.488 -7.126 1.00 0.00 C ATOM 388 CG GLN A 27 11.091 1.264 -6.217 1.00 0.00 C ATOM 389 CD GLN A 27 12.260 2.166 -6.557 1.00 0.00 C ATOM 390 OE1 GLN A 27 12.154 3.391 -6.497 1.00 0.00 O ATOM 391 NE2 GLN A 27 13.387 1.564 -6.918 1.00 0.00 N ATOM 0 H GLN A 27 8.697 2.341 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 27 10.099 3.615 -7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.115 0.768 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.186 1.289 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.794 1.435 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.407 0.223 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.432 0.546 -6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.208 2.120 -7.159 1.00 0.00 H new ATOM 400 N ALA A 28 6.951 2.837 -7.598 1.00 0.00 N ATOM 401 CA ALA A 28 5.787 2.973 -8.463 1.00 0.00 C ATOM 402 C ALA A 28 5.480 4.443 -8.718 1.00 0.00 C ATOM 403 O ALA A 28 5.318 4.865 -9.863 1.00 0.00 O ATOM 404 CB ALA A 28 4.582 2.278 -7.846 1.00 0.00 C ATOM 0 H ALA A 28 6.736 2.558 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 28 6.010 2.497 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.721 2.389 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.802 1.219 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.359 2.727 -6.878 1.00 0.00 H new ATOM 410 N MET A 29 5.411 5.221 -7.642 1.00 0.00 N ATOM 411 CA MET A 29 5.134 6.647 -7.747 1.00 0.00 C ATOM 412 C MET A 29 6.303 7.374 -8.401 1.00 0.00 C ATOM 413 O MET A 29 6.128 8.427 -9.017 1.00 0.00 O ATOM 414 CB MET A 29 4.854 7.239 -6.365 1.00 0.00 C ATOM 415 CG MET A 29 4.546 8.727 -6.390 1.00 0.00 C ATOM 416 SD MET A 29 3.096 9.118 -7.390 1.00 0.00 S ATOM 417 CE MET A 29 3.030 10.898 -7.209 1.00 0.00 C ATOM 0 H MET A 29 5.543 4.886 -6.688 1.00 0.00 H new ATOM 0 HA MET A 29 4.250 6.778 -8.371 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.013 6.710 -5.916 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.718 7.066 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.385 9.078 -5.371 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.409 9.266 -6.781 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.204 11.294 -7.801 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.879 11.152 -6.160 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.967 11.334 -7.556 1.00 0.00 H new ATOM 427 N GLU A 30 7.496 6.801 -8.274 1.00 0.00 N ATOM 428 CA GLU A 30 8.692 7.387 -8.862 1.00 0.00 C ATOM 429 C GLU A 30 8.771 7.043 -10.343 1.00 0.00 C ATOM 430 O GLU A 30 9.007 7.910 -11.185 1.00 0.00 O ATOM 431 CB GLU A 30 9.943 6.884 -8.138 1.00 0.00 C ATOM 432 CG GLU A 30 11.239 7.451 -8.696 1.00 0.00 C ATOM 433 CD GLU A 30 11.299 8.963 -8.603 1.00 0.00 C ATOM 434 OE1 GLU A 30 11.225 9.492 -7.475 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.420 9.618 -9.660 1.00 0.00 O ATOM 0 H GLU A 30 7.658 5.930 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 30 8.638 8.470 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.869 7.141 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.976 5.796 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.082 7.023 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.345 7.150 -9.738 1.00 0.00 H new ATOM 442 N LYS A 31 8.557 5.768 -10.653 1.00 0.00 N ATOM 443 CA LYS A 31 8.589 5.302 -12.033 1.00 0.00 C ATOM 444 C LYS A 31 7.338 5.752 -12.783 1.00 0.00 C ATOM 445 O LYS A 31 7.350 5.883 -14.007 1.00 0.00 O ATOM 446 CB LYS A 31 8.700 3.776 -12.074 1.00 0.00 C ATOM 447 CG LYS A 31 8.789 3.208 -13.479 1.00 0.00 C ATOM 448 CD LYS A 31 10.030 3.704 -14.202 1.00 0.00 C ATOM 449 CE LYS A 31 10.130 3.123 -15.604 1.00 0.00 C ATOM 450 NZ LYS A 31 8.975 3.521 -16.455 1.00 0.00 N ATOM 0 H LYS A 31 8.360 5.040 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 31 9.462 5.736 -12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.582 3.469 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.835 3.344 -11.571 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.805 2.119 -13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.900 3.490 -14.044 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.008 4.792 -14.259 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.918 3.433 -13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.057 3.458 -16.070 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.178 2.036 -15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.154 3.235 -17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.112 3.054 -16.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.851 4.553 -16.411 1.00 0.00 H new ATOM 464 N TYR A 32 6.259 5.991 -12.039 1.00 0.00 N ATOM 465 CA TYR A 32 5.001 6.430 -12.634 1.00 0.00 C ATOM 466 C TYR A 32 4.283 7.416 -11.718 1.00 0.00 C ATOM 467 O TYR A 32 4.448 7.380 -10.500 1.00 0.00 O ATOM 468 CB TYR A 32 4.096 5.230 -12.914 1.00 0.00 C ATOM 469 CG TYR A 32 4.679 4.243 -13.901 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.002 4.634 -15.194 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.905 2.920 -13.540 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.533 3.736 -16.100 1.00 0.00 C ATOM 473 CE2 TYR A 32 5.436 2.016 -14.438 1.00 0.00 C ATOM 474 CZ TYR A 32 5.748 2.429 -15.717 1.00 0.00 C ATOM 475 OH TYR A 32 6.278 1.530 -16.614 1.00 0.00 O ATOM 0 H TYR A 32 6.232 5.888 -11.025 1.00 0.00 H new ATOM 0 HA TYR A 32 5.230 6.931 -13.575 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.892 4.714 -11.976 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.140 5.589 -13.295 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.835 5.657 -15.496 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.661 2.594 -12.540 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.778 4.056 -17.102 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.606 0.992 -14.141 1.00 0.00 H new ATOM 0 HH TYR A 32 6.367 0.653 -16.185 1.00 0.00 H new ATOM 485 N ASN A 33 3.485 8.298 -12.313 1.00 0.00 N ATOM 486 CA ASN A 33 2.742 9.293 -11.548 1.00 0.00 C ATOM 487 C ASN A 33 1.310 9.420 -12.062 1.00 0.00 C ATOM 488 O ASN A 33 0.805 10.524 -12.259 1.00 0.00 O ATOM 489 CB ASN A 33 3.446 10.650 -11.620 1.00 0.00 C ATOM 490 CG ASN A 33 4.855 10.601 -11.063 1.00 0.00 C ATOM 491 OD1 ASN A 33 5.703 9.855 -11.554 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.111 11.397 -10.033 1.00 0.00 N ATOM 0 H ASN A 33 3.337 8.344 -13.321 1.00 0.00 H new ATOM 0 HA ASN A 33 2.706 8.964 -10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.480 10.984 -12.657 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.865 11.387 -11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.042 11.407 -9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.377 11.999 -9.659 1.00 0.00 H new ATOM 499 N ILE A 34 0.663 8.281 -12.278 1.00 0.00 N ATOM 500 CA ILE A 34 -0.711 8.261 -12.769 1.00 0.00 C ATOM 501 C ILE A 34 -1.708 8.069 -11.629 1.00 0.00 C ATOM 502 O ILE A 34 -2.901 8.320 -11.793 1.00 0.00 O ATOM 503 CB ILE A 34 -0.916 7.139 -13.803 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.148 7.230 -14.898 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.314 7.219 -14.405 1.00 0.00 C ATOM 506 CD1 ILE A 34 0.002 6.181 -15.978 1.00 0.00 C ATOM 0 H ILE A 34 1.068 7.358 -12.121 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.889 9.227 -13.242 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.815 6.177 -13.300 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.102 8.218 -15.355 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.134 7.135 -14.443 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.443 6.419 -15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.057 7.113 -13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.443 8.183 -14.897 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.791 6.309 -16.719 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.079 5.189 -15.534 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.969 6.289 -16.461 1.00 0.00 H new ATOM 518 N GLU A 35 -1.211 7.615 -10.479 1.00 0.00 N ATOM 519 CA GLU A 35 -2.048 7.376 -9.302 1.00 0.00 C ATOM 520 C GLU A 35 -2.819 6.065 -9.440 1.00 0.00 C ATOM 521 O GLU A 35 -2.734 5.192 -8.577 1.00 0.00 O ATOM 522 CB GLU A 35 -3.025 8.535 -9.071 1.00 0.00 C ATOM 523 CG GLU A 35 -2.345 9.891 -8.955 1.00 0.00 C ATOM 524 CD GLU A 35 -1.399 9.975 -7.770 1.00 0.00 C ATOM 525 OE1 GLU A 35 -1.294 8.982 -7.021 1.00 0.00 O ATOM 526 OE2 GLU A 35 -0.770 11.039 -7.591 1.00 0.00 O ATOM 0 H GLU A 35 -0.223 7.403 -10.336 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.386 7.306 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.740 8.566 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.594 8.344 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.791 10.094 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.105 10.667 -8.863 1.00 0.00 H new ATOM 533 N LYS A 36 -3.565 5.929 -10.533 1.00 0.00 N ATOM 534 CA LYS A 36 -4.341 4.721 -10.782 1.00 0.00 C ATOM 535 C LYS A 36 -3.428 3.578 -11.206 1.00 0.00 C ATOM 536 O LYS A 36 -3.455 2.496 -10.618 1.00 0.00 O ATOM 537 CB LYS A 36 -5.398 4.977 -11.857 1.00 0.00 C ATOM 538 CG LYS A 36 -6.251 3.760 -12.176 1.00 0.00 C ATOM 539 CD LYS A 36 -7.275 4.065 -13.258 1.00 0.00 C ATOM 540 CE LYS A 36 -8.127 2.847 -13.579 1.00 0.00 C ATOM 541 NZ LYS A 36 -9.133 3.137 -14.640 1.00 0.00 N ATOM 0 H LYS A 36 -3.648 6.641 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.844 4.440 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.047 5.789 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.903 5.312 -12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.610 2.940 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.763 3.426 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.917 4.884 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.764 4.400 -14.160 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.484 2.029 -13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.638 2.513 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.694 2.282 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.763 3.900 -14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.645 3.431 -15.510 1.00 0.00 H new ATOM 555 N ASP A 37 -2.610 3.828 -12.225 1.00 0.00 N ATOM 556 CA ASP A 37 -1.677 2.822 -12.718 1.00 0.00 C ATOM 557 C ASP A 37 -0.783 2.331 -11.586 1.00 0.00 C ATOM 558 O ASP A 37 -0.334 1.184 -11.584 1.00 0.00 O ATOM 559 CB ASP A 37 -0.823 3.399 -13.850 1.00 0.00 C ATOM 560 CG ASP A 37 0.122 2.373 -14.450 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.096 1.206 -14.004 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.886 2.737 -15.367 1.00 0.00 O ATOM 0 H ASP A 37 -2.575 4.717 -12.724 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.249 1.978 -13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.476 3.787 -14.632 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.245 4.242 -13.471 1.00 0.00 H new ATOM 567 N ILE A 38 -0.539 3.208 -10.617 1.00 0.00 N ATOM 568 CA ILE A 38 0.291 2.871 -9.470 1.00 0.00 C ATOM 569 C ILE A 38 -0.305 1.698 -8.699 1.00 0.00 C ATOM 570 O ILE A 38 0.385 0.724 -8.400 1.00 0.00 O ATOM 571 CB ILE A 38 0.444 4.075 -8.517 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.997 5.283 -9.274 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.348 3.718 -7.344 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.356 5.039 -9.892 1.00 0.00 C ATOM 0 H ILE A 38 -0.906 4.159 -10.605 1.00 0.00 H new ATOM 0 HA ILE A 38 1.274 2.594 -9.852 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.539 4.333 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.295 5.562 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.064 6.130 -8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.444 4.579 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.915 2.884 -6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.333 3.435 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.686 5.938 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.072 4.790 -9.109 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.291 4.213 -10.600 1.00 0.00 H new ATOM 586 N ALA A 39 -1.592 1.796 -8.384 1.00 0.00 N ATOM 587 CA ALA A 39 -2.279 0.739 -7.650 1.00 0.00 C ATOM 588 C ALA A 39 -2.272 -0.571 -8.433 1.00 0.00 C ATOM 589 O ALA A 39 -2.439 -1.647 -7.860 1.00 0.00 O ATOM 590 CB ALA A 39 -3.706 1.158 -7.330 1.00 0.00 C ATOM 0 H ALA A 39 -2.179 2.594 -8.625 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.743 0.575 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.206 0.359 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.692 2.062 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.244 1.354 -8.257 1.00 0.00 H new ATOM 596 N ALA A 40 -2.072 -0.473 -9.745 1.00 0.00 N ATOM 597 CA ALA A 40 -2.038 -1.653 -10.600 1.00 0.00 C ATOM 598 C ALA A 40 -0.666 -2.303 -10.569 1.00 0.00 C ATOM 599 O ALA A 40 -0.547 -3.525 -10.528 1.00 0.00 O ATOM 600 CB ALA A 40 -2.426 -1.286 -12.024 1.00 0.00 C ATOM 0 H ALA A 40 -1.932 0.410 -10.237 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.761 -2.374 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.396 -2.177 -12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.434 -0.871 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.726 -0.546 -12.412 1.00 0.00 H new ATOM 606 N TYR A 41 0.372 -1.480 -10.579 1.00 0.00 N ATOM 607 CA TYR A 41 1.737 -1.987 -10.541 1.00 0.00 C ATOM 608 C TYR A 41 2.044 -2.568 -9.167 1.00 0.00 C ATOM 609 O TYR A 41 2.877 -3.464 -9.033 1.00 0.00 O ATOM 610 CB TYR A 41 2.731 -0.874 -10.882 1.00 0.00 C ATOM 611 CG TYR A 41 4.171 -1.332 -10.910 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.587 -2.330 -11.783 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.117 -0.768 -10.063 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.901 -2.751 -11.813 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.436 -1.182 -10.088 1.00 0.00 C ATOM 616 CZ TYR A 41 6.822 -2.174 -10.964 1.00 0.00 C ATOM 617 OH TYR A 41 8.134 -2.590 -10.991 1.00 0.00 O ATOM 0 H TYR A 41 0.297 -0.463 -10.613 1.00 0.00 H new ATOM 0 HA TYR A 41 1.835 -2.777 -11.285 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.474 -0.455 -11.855 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.629 -0.071 -10.152 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.869 -2.784 -12.450 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.817 0.007 -9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.206 -3.528 -12.498 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.160 -0.731 -9.425 1.00 0.00 H new ATOM 0 HH TYR A 41 8.652 -2.082 -10.332 1.00 0.00 H new ATOM 627 N ILE A 42 1.344 -2.073 -8.152 1.00 0.00 N ATOM 628 CA ILE A 42 1.522 -2.560 -6.795 1.00 0.00 C ATOM 629 C ILE A 42 0.687 -3.813 -6.601 1.00 0.00 C ATOM 630 O ILE A 42 1.166 -4.827 -6.089 1.00 0.00 O ATOM 631 CB ILE A 42 1.115 -1.496 -5.754 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.962 -0.233 -5.933 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.267 -2.042 -4.341 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.495 0.929 -5.084 1.00 0.00 C ATOM 0 H ILE A 42 0.648 -1.334 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 42 2.578 -2.785 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 42 0.067 -1.241 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.998 -0.461 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.943 0.062 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.975 -1.277 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.629 -2.917 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.306 -2.324 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.139 1.790 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.469 1.183 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.540 0.651 -4.031 1.00 0.00 H new ATOM 646 N LYS A 43 -0.561 -3.743 -7.050 1.00 0.00 N ATOM 647 CA LYS A 43 -1.462 -4.877 -6.965 1.00 0.00 C ATOM 648 C LYS A 43 -0.923 -6.010 -7.819 1.00 0.00 C ATOM 649 O LYS A 43 -1.016 -7.179 -7.454 1.00 0.00 O ATOM 650 CB LYS A 43 -2.858 -4.496 -7.452 1.00 0.00 C ATOM 651 CG LYS A 43 -3.852 -5.648 -7.404 1.00 0.00 C ATOM 652 CD LYS A 43 -5.126 -5.320 -8.164 1.00 0.00 C ATOM 653 CE LYS A 43 -5.732 -4.010 -7.696 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.995 -3.690 -8.414 1.00 0.00 N ATOM 0 H LYS A 43 -0.968 -2.911 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.530 -5.192 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.235 -3.675 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.789 -4.128 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.395 -6.542 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.095 -5.876 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.910 -5.261 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.849 -6.125 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.928 -4.064 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.014 -3.204 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.375 -2.787 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.805 -3.613 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.690 -4.446 -8.248 1.00 0.00 H new ATOM 668 N LYS A 44 -0.351 -5.647 -8.966 1.00 0.00 N ATOM 669 CA LYS A 44 0.207 -6.637 -9.872 1.00 0.00 C ATOM 670 C LYS A 44 1.534 -7.169 -9.341 1.00 0.00 C ATOM 671 O LYS A 44 1.880 -8.330 -9.560 1.00 0.00 O ATOM 672 CB LYS A 44 0.395 -6.045 -11.272 1.00 0.00 C ATOM 673 CG LYS A 44 -0.912 -5.815 -12.016 1.00 0.00 C ATOM 674 CD LYS A 44 -1.641 -7.122 -12.285 1.00 0.00 C ATOM 675 CE LYS A 44 -0.803 -8.068 -13.130 1.00 0.00 C ATOM 676 NZ LYS A 44 -0.447 -7.468 -14.446 1.00 0.00 N ATOM 0 H LYS A 44 -0.264 -4.682 -9.284 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.496 -7.467 -9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.927 -5.098 -11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.025 -6.714 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.552 -5.154 -11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.710 -5.310 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.889 -7.602 -11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.582 -6.916 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.108 -8.327 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.353 -8.995 -13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.041 -8.200 -15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.301 -7.075 -14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.250 -6.709 -14.304 1.00 0.00 H new ATOM 690 N GLU A 45 2.272 -6.315 -8.635 1.00 0.00 N ATOM 691 CA GLU A 45 3.557 -6.706 -8.068 1.00 0.00 C ATOM 692 C GLU A 45 3.390 -7.888 -7.115 1.00 0.00 C ATOM 693 O GLU A 45 3.987 -8.947 -7.315 1.00 0.00 O ATOM 694 CB GLU A 45 4.198 -5.529 -7.329 1.00 0.00 C ATOM 695 CG GLU A 45 5.531 -5.865 -6.679 1.00 0.00 C ATOM 696 CD GLU A 45 6.589 -6.275 -7.686 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.289 -6.278 -8.899 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.721 -6.590 -7.262 1.00 0.00 O ATOM 0 H GLU A 45 2.002 -5.350 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 45 4.210 -7.007 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.343 -4.707 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.509 -5.175 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.885 -5.000 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.387 -6.672 -5.961 1.00 0.00 H new ATOM 705 N PHE A 46 2.574 -7.701 -6.082 1.00 0.00 N ATOM 706 CA PHE A 46 2.329 -8.758 -5.106 1.00 0.00 C ATOM 707 C PHE A 46 1.510 -9.892 -5.715 1.00 0.00 C ATOM 708 O PHE A 46 1.653 -11.052 -5.326 1.00 0.00 O ATOM 709 CB PHE A 46 1.612 -8.196 -3.874 1.00 0.00 C ATOM 710 CG PHE A 46 2.477 -7.306 -3.023 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.636 -7.797 -2.444 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.126 -5.985 -2.797 1.00 0.00 C ATOM 713 CE1 PHE A 46 4.430 -6.986 -1.655 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.918 -5.168 -2.009 1.00 0.00 C ATOM 715 CZ PHE A 46 4.071 -5.670 -1.437 1.00 0.00 C ATOM 0 H PHE A 46 2.073 -6.831 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 46 3.295 -9.160 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.737 -7.633 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.250 -9.025 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.922 -8.825 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.225 -5.588 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.331 -7.381 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.635 -4.139 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.690 -5.035 -0.821 1.00 0.00 H new ATOM 725 N ASP A 47 0.651 -9.552 -6.672 1.00 0.00 N ATOM 726 CA ASP A 47 -0.189 -10.544 -7.334 1.00 0.00 C ATOM 727 C ASP A 47 0.659 -11.538 -8.124 1.00 0.00 C ATOM 728 O ASP A 47 0.323 -12.718 -8.224 1.00 0.00 O ATOM 729 CB ASP A 47 -1.191 -9.852 -8.265 1.00 0.00 C ATOM 730 CG ASP A 47 -2.093 -10.831 -8.993 1.00 0.00 C ATOM 731 OD1 ASP A 47 -1.953 -12.051 -8.767 1.00 0.00 O ATOM 732 OD2 ASP A 47 -2.940 -10.376 -9.790 1.00 0.00 O ATOM 0 H ASP A 47 0.519 -8.597 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.735 -11.093 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.804 -9.164 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.647 -9.254 -8.996 1.00 0.00 H new ATOM 737 N LYS A 48 1.764 -11.053 -8.683 1.00 0.00 N ATOM 738 CA LYS A 48 2.664 -11.897 -9.463 1.00 0.00 C ATOM 739 C LYS A 48 3.738 -12.516 -8.570 1.00 0.00 C ATOM 740 O LYS A 48 4.858 -12.769 -9.014 1.00 0.00 O ATOM 741 CB LYS A 48 3.316 -11.077 -10.582 1.00 0.00 C ATOM 742 CG LYS A 48 4.089 -11.904 -11.602 1.00 0.00 C ATOM 743 CD LYS A 48 3.194 -12.417 -12.724 1.00 0.00 C ATOM 744 CE LYS A 48 2.149 -13.401 -12.222 1.00 0.00 C ATOM 745 NZ LYS A 48 2.764 -14.549 -11.500 1.00 0.00 N ATOM 0 H LYS A 48 2.058 -10.079 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 48 2.081 -12.704 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.541 -10.514 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.993 -10.349 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.890 -11.298 -12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.560 -12.749 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.696 -11.574 -13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.808 -12.899 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.455 -12.885 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.567 -13.773 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.021 -15.221 -11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.445 -15.027 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.256 -14.202 -10.652 1.00 0.00 H new ATOM 759 N LYS A 49 3.395 -12.754 -7.309 1.00 0.00 N ATOM 760 CA LYS A 49 4.335 -13.339 -6.361 1.00 0.00 C ATOM 761 C LYS A 49 3.609 -14.112 -5.264 1.00 0.00 C ATOM 762 O LYS A 49 4.018 -15.212 -4.894 1.00 0.00 O ATOM 763 CB LYS A 49 5.209 -12.245 -5.741 1.00 0.00 C ATOM 764 CG LYS A 49 6.067 -11.505 -6.752 1.00 0.00 C ATOM 765 CD LYS A 49 6.906 -10.425 -6.088 1.00 0.00 C ATOM 766 CE LYS A 49 7.847 -11.012 -5.047 1.00 0.00 C ATOM 767 NZ LYS A 49 8.772 -12.018 -5.640 1.00 0.00 N ATOM 0 H LYS A 49 2.474 -12.551 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 49 4.968 -14.040 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.569 -11.528 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.856 -12.693 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.721 -12.212 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.429 -11.055 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.484 -9.895 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.251 -9.692 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.427 -10.211 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.264 -11.478 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.513 -12.257 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.239 -12.876 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.210 -11.624 -6.497 1.00 0.00 H new ATOM 781 N TYR A 50 2.531 -13.532 -4.741 1.00 0.00 N ATOM 782 CA TYR A 50 1.757 -14.172 -3.682 1.00 0.00 C ATOM 783 C TYR A 50 0.363 -14.579 -4.165 1.00 0.00 C ATOM 784 O TYR A 50 -0.426 -15.130 -3.397 1.00 0.00 O ATOM 785 CB TYR A 50 1.637 -13.242 -2.474 1.00 0.00 C ATOM 786 CG TYR A 50 2.962 -12.917 -1.821 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.964 -12.259 -2.524 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.212 -13.271 -0.502 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.175 -11.963 -1.930 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.421 -12.976 0.101 1.00 0.00 C ATOM 791 CZ TYR A 50 5.399 -12.322 -0.618 1.00 0.00 C ATOM 792 OH TYR A 50 6.605 -12.028 -0.023 1.00 0.00 O ATOM 0 H TYR A 50 2.175 -12.622 -5.033 1.00 0.00 H new ATOM 0 HA TYR A 50 2.289 -15.077 -3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.160 -12.314 -2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.982 -13.704 -1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.793 -11.974 -3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.449 -13.786 0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.944 -11.452 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.598 -13.256 1.129 1.00 0.00 H new ATOM 0 HH TYR A 50 6.599 -12.348 0.903 1.00 0.00 H new ATOM 802 N ASN A 51 0.064 -14.313 -5.435 1.00 0.00 N ATOM 803 CA ASN A 51 -1.235 -14.665 -6.002 1.00 0.00 C ATOM 804 C ASN A 51 -2.369 -13.918 -5.298 1.00 0.00 C ATOM 805 O ASN A 51 -2.223 -13.487 -4.154 1.00 0.00 O ATOM 806 CB ASN A 51 -1.465 -16.175 -5.901 1.00 0.00 C ATOM 807 CG ASN A 51 -0.414 -16.971 -6.652 1.00 0.00 C ATOM 808 OD1 ASN A 51 0.778 -16.881 -6.356 1.00 0.00 O ATOM 809 ND2 ASN A 51 -0.851 -17.754 -7.629 1.00 0.00 N ATOM 0 H ASN A 51 0.701 -13.857 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.233 -14.370 -7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.461 -16.471 -4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.452 -16.417 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.190 -18.312 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.848 -17.798 -7.840 1.00 0.00 H new ATOM 816 N PRO A 52 -3.521 -13.757 -5.979 1.00 0.00 N ATOM 817 CA PRO A 52 -4.688 -13.060 -5.419 1.00 0.00 C ATOM 818 C PRO A 52 -5.123 -13.648 -4.076 1.00 0.00 C ATOM 819 O PRO A 52 -4.588 -14.671 -3.647 1.00 0.00 O ATOM 820 CB PRO A 52 -5.782 -13.268 -6.479 1.00 0.00 C ATOM 821 CG PRO A 52 -5.275 -14.349 -7.372 1.00 0.00 C ATOM 822 CD PRO A 52 -3.780 -14.240 -7.341 1.00 0.00 C ATOM 0 HA PRO A 52 -4.474 -12.011 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.727 -13.553 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.965 -12.351 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.603 -15.329 -7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.655 -14.228 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.300 -15.200 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.409 -13.546 -8.095 1.00 0.00 H new ATOM 830 N THR A 53 -6.095 -13.013 -3.400 1.00 0.00 N ATOM 831 CA THR A 53 -6.749 -11.793 -3.888 1.00 0.00 C ATOM 832 C THR A 53 -6.499 -10.634 -2.929 1.00 0.00 C ATOM 833 O THR A 53 -6.731 -10.752 -1.727 1.00 0.00 O ATOM 834 CB THR A 53 -8.255 -12.022 -4.034 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.518 -13.101 -4.913 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.997 -10.812 -4.561 1.00 0.00 C ATOM 0 H THR A 53 -6.448 -13.334 -2.498 1.00 0.00 H new ATOM 0 HA THR A 53 -6.328 -11.545 -4.862 1.00 0.00 H new ATOM 0 HB THR A 53 -8.611 -12.238 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.486 -13.231 -4.991 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.059 -11.043 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.858 -9.974 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.609 -10.547 -5.545 1.00 0.00 H new ATOM 844 N TRP A 54 -6.022 -9.514 -3.464 1.00 0.00 N ATOM 845 CA TRP A 54 -5.738 -8.343 -2.642 1.00 0.00 C ATOM 846 C TRP A 54 -6.580 -7.149 -3.080 1.00 0.00 C ATOM 847 O TRP A 54 -7.513 -7.286 -3.872 1.00 0.00 O ATOM 848 CB TRP A 54 -4.250 -7.981 -2.729 1.00 0.00 C ATOM 849 CG TRP A 54 -3.331 -9.161 -2.607 1.00 0.00 C ATOM 850 CD1 TRP A 54 -3.318 -10.268 -3.404 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.283 -9.347 -1.645 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.337 -11.135 -2.993 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.686 -10.593 -1.918 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.789 -8.586 -0.577 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.627 -11.093 -1.165 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.739 -9.086 0.164 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.167 -10.327 -0.132 1.00 0.00 C ATOM 0 H TRP A 54 -5.825 -9.393 -4.457 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.992 -8.588 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.062 -7.483 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.013 -7.265 -1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.983 -10.437 -4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.127 -12.037 -3.420 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.222 -7.626 -0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.185 -12.052 -1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.351 -8.508 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.655 -10.687 0.468 1.00 0.00 H new ATOM 868 N HIS A 55 -6.236 -5.977 -2.558 1.00 0.00 N ATOM 869 CA HIS A 55 -6.947 -4.747 -2.887 1.00 0.00 C ATOM 870 C HIS A 55 -6.171 -3.533 -2.384 1.00 0.00 C ATOM 871 O HIS A 55 -6.639 -2.799 -1.514 1.00 0.00 O ATOM 872 CB HIS A 55 -8.351 -4.761 -2.279 1.00 0.00 C ATOM 873 CG HIS A 55 -9.147 -3.529 -2.584 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.424 -3.321 -2.111 1.00 0.00 N ATOM 875 CD2 HIS A 55 -8.838 -2.435 -3.321 1.00 0.00 C ATOM 876 CE1 HIS A 55 -10.867 -2.154 -2.544 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.923 -1.596 -3.279 1.00 0.00 N ATOM 0 H HIS A 55 -5.465 -5.853 -1.902 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.036 -4.682 -3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.890 -5.633 -2.649 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.269 -4.872 -1.198 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.946 -3.967 -1.519 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.910 -2.256 -3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.837 -1.729 -2.333 1.00 0.00 H new ATOM 886 N CYS A 56 -4.977 -3.331 -2.936 1.00 0.00 N ATOM 887 CA CYS A 56 -4.127 -2.210 -2.543 1.00 0.00 C ATOM 888 C CYS A 56 -4.914 -0.902 -2.528 1.00 0.00 C ATOM 889 O CYS A 56 -5.713 -0.641 -3.427 1.00 0.00 O ATOM 890 CB CYS A 56 -2.945 -2.075 -3.506 1.00 0.00 C ATOM 891 SG CYS A 56 -1.943 -3.570 -3.679 1.00 0.00 S ATOM 0 H CYS A 56 -4.576 -3.930 -3.658 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.759 -2.411 -1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.324 -1.791 -4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.305 -1.262 -3.164 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.126 -3.664 -2.672 1.00 0.00 H new ATOM 897 N ILE A 57 -4.678 -0.079 -1.512 1.00 0.00 N ATOM 898 CA ILE A 57 -5.364 1.204 -1.403 1.00 0.00 C ATOM 899 C ILE A 57 -4.384 2.349 -1.539 1.00 0.00 C ATOM 900 O ILE A 57 -3.271 2.289 -1.017 1.00 0.00 O ATOM 901 CB ILE A 57 -6.097 1.360 -0.066 1.00 0.00 C ATOM 902 CG1 ILE A 57 -6.947 0.135 0.224 1.00 0.00 C ATOM 903 CG2 ILE A 57 -6.958 2.613 -0.067 1.00 0.00 C ATOM 904 CD1 ILE A 57 -7.840 -0.281 -0.927 1.00 0.00 C ATOM 0 H ILE A 57 -4.021 -0.275 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.095 1.228 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.349 1.457 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.291 -0.697 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.567 0.334 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.469 2.704 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.327 3.488 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.696 2.547 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.414 -1.162 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.522 0.533 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.227 -0.514 -1.798 1.00 0.00 H new ATOM 916 N VAL A 58 -4.816 3.393 -2.228 1.00 0.00 N ATOM 917 CA VAL A 58 -3.988 4.573 -2.438 1.00 0.00 C ATOM 918 C VAL A 58 -4.821 5.847 -2.346 1.00 0.00 C ATOM 919 O VAL A 58 -5.159 6.457 -3.361 1.00 0.00 O ATOM 920 CB VAL A 58 -3.280 4.526 -3.808 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.369 5.732 -3.986 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.498 3.231 -3.960 1.00 0.00 C ATOM 0 H VAL A 58 -5.741 3.448 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.233 4.579 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.040 4.560 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.880 5.678 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.960 6.646 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.614 5.737 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.005 3.215 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.748 3.164 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.179 2.384 -3.885 1.00 0.00 H new ATOM 932 N GLY A 59 -5.149 6.242 -1.122 1.00 0.00 N ATOM 933 CA GLY A 59 -5.940 7.438 -0.913 1.00 0.00 C ATOM 934 C GLY A 59 -6.153 7.736 0.556 1.00 0.00 C ATOM 935 O GLY A 59 -5.645 8.731 1.074 1.00 0.00 O ATOM 0 H GLY A 59 -4.880 5.753 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.444 8.286 -1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.907 7.321 -1.402 1.00 0.00 H new ATOM 939 N ARG A 60 -6.902 6.870 1.229 1.00 0.00 N ATOM 940 CA ARG A 60 -7.177 7.043 2.650 1.00 0.00 C ATOM 941 C ARG A 60 -7.493 5.706 3.314 1.00 0.00 C ATOM 942 O ARG A 60 -6.631 5.101 3.953 1.00 0.00 O ATOM 943 CB ARG A 60 -8.335 8.026 2.854 1.00 0.00 C ATOM 944 CG ARG A 60 -8.047 9.425 2.337 1.00 0.00 C ATOM 945 CD ARG A 60 -9.218 10.363 2.583 1.00 0.00 C ATOM 946 NE ARG A 60 -8.954 11.712 2.088 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.821 12.719 2.179 1.00 0.00 C ATOM 948 NH1 ARG A 60 -11.007 12.532 2.744 1.00 0.00 N ATOM 949 NH2 ARG A 60 -9.501 13.914 1.703 1.00 0.00 N ATOM 0 H ARG A 60 -7.329 6.042 0.814 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.282 7.452 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.222 7.638 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.569 8.082 3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.156 9.818 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.832 9.382 1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.109 9.966 2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.431 10.404 3.651 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.052 11.893 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.258 11.614 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.668 13.306 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.591 14.062 1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.165 14.685 1.773 1.00 0.00 H new ATOM 963 N ASN A 61 -8.732 5.254 3.166 1.00 0.00 N ATOM 964 CA ASN A 61 -9.164 3.988 3.756 1.00 0.00 C ATOM 965 C ASN A 61 -10.431 3.464 3.081 1.00 0.00 C ATOM 966 O ASN A 61 -11.149 2.644 3.650 1.00 0.00 O ATOM 967 CB ASN A 61 -9.442 4.181 5.252 1.00 0.00 C ATOM 968 CG ASN A 61 -10.721 4.969 5.550 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.120 5.087 6.709 1.00 0.00 O ATOM 970 ND2 ASN A 61 -11.369 5.528 4.519 1.00 0.00 N ATOM 0 H ASN A 61 -9.458 5.744 2.643 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.364 3.262 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.511 3.203 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.595 4.697 5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.218 6.069 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.013 5.412 3.570 1.00 0.00 H new ATOM 977 N PHE A 62 -10.727 3.978 1.892 1.00 0.00 N ATOM 978 CA PHE A 62 -11.938 3.591 1.188 1.00 0.00 C ATOM 979 C PHE A 62 -12.068 2.073 1.049 1.00 0.00 C ATOM 980 O PHE A 62 -13.168 1.558 0.839 1.00 0.00 O ATOM 981 CB PHE A 62 -12.011 4.252 -0.194 1.00 0.00 C ATOM 982 CG PHE A 62 -10.807 4.006 -1.061 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.643 4.738 -0.881 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.837 3.040 -2.053 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.535 4.512 -1.676 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.733 2.808 -2.850 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.580 3.545 -2.661 1.00 0.00 C ATOM 0 H PHE A 62 -10.148 4.659 1.401 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.774 3.943 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.898 3.887 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.137 5.327 -0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.602 5.494 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.735 2.460 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.635 5.091 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.771 2.051 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.715 3.365 -3.282 1.00 0.00 H new ATOM 997 N GLY A 63 -10.954 1.358 1.169 1.00 0.00 N ATOM 998 CA GLY A 63 -10.992 -0.090 1.053 1.00 0.00 C ATOM 999 C GLY A 63 -11.915 -0.721 2.075 1.00 0.00 C ATOM 1000 O GLY A 63 -12.890 -1.382 1.719 1.00 0.00 O ATOM 0 H GLY A 63 -10.030 1.752 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.321 -0.364 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.986 -0.490 1.179 1.00 0.00 H new ATOM 1004 N SER A 64 -11.607 -0.507 3.350 1.00 0.00 N ATOM 1005 CA SER A 64 -12.413 -1.045 4.444 1.00 0.00 C ATOM 1006 C SER A 64 -12.693 -2.537 4.266 1.00 0.00 C ATOM 1007 O SER A 64 -13.689 -3.052 4.773 1.00 0.00 O ATOM 1008 CB SER A 64 -13.735 -0.280 4.551 1.00 0.00 C ATOM 1009 OG SER A 64 -14.482 -0.385 3.351 1.00 0.00 O ATOM 0 H SER A 64 -10.800 0.038 3.654 1.00 0.00 H new ATOM 0 HA SER A 64 -11.841 -0.920 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.320 -0.672 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.535 0.769 4.769 1.00 0.00 H new ATOM 0 HG SER A 64 -14.115 -1.107 2.799 1.00 0.00 H new ATOM 1015 N TYR A 65 -11.809 -3.229 3.553 1.00 0.00 N ATOM 1016 CA TYR A 65 -11.968 -4.664 3.325 1.00 0.00 C ATOM 1017 C TYR A 65 -10.890 -5.454 4.057 1.00 0.00 C ATOM 1018 O TYR A 65 -10.338 -6.406 3.515 1.00 0.00 O ATOM 1019 CB TYR A 65 -11.900 -4.993 1.829 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.062 -4.481 1.002 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.133 -3.813 1.585 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -13.081 -4.675 -0.374 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -15.189 -3.353 0.821 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -14.133 -4.216 -1.145 1.00 0.00 C ATOM 1025 CZ TYR A 65 -15.183 -3.557 -0.543 1.00 0.00 C ATOM 1026 OH TYR A 65 -16.233 -3.099 -1.308 1.00 0.00 O ATOM 0 H TYR A 65 -10.978 -2.822 3.124 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.947 -4.947 3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.977 -4.579 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.842 -6.075 1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.140 -3.651 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.261 -5.193 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.014 -2.837 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.132 -4.373 -2.214 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.074 -3.322 -2.249 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.586 -5.055 5.285 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.563 -5.742 6.066 1.00 0.00 C ATOM 1038 C VAL A 66 -10.078 -7.073 6.605 1.00 0.00 C ATOM 1039 O VAL A 66 -9.665 -8.140 6.150 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.066 -4.876 7.239 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.956 -5.590 7.999 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.592 -3.522 6.736 1.00 0.00 C ATOM 0 H VAL A 66 -11.028 -4.267 5.759 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.728 -5.929 5.391 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.897 -4.714 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.618 -4.963 8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.333 -6.534 8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.121 -5.785 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.244 -2.923 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.775 -3.662 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.416 -3.009 6.241 1.00 0.00 H new ATOM 1052 N THR A 67 -10.976 -7.001 7.578 1.00 0.00 N ATOM 1053 CA THR A 67 -11.545 -8.199 8.185 1.00 0.00 C ATOM 1054 C THR A 67 -12.600 -8.828 7.281 1.00 0.00 C ATOM 1055 O THR A 67 -12.816 -10.039 7.311 1.00 0.00 O ATOM 1056 CB THR A 67 -12.158 -7.865 9.545 1.00 0.00 C ATOM 1057 OG1 THR A 67 -11.182 -7.312 10.412 1.00 0.00 O ATOM 1058 CG2 THR A 67 -12.765 -9.063 10.243 1.00 0.00 C ATOM 0 H THR A 67 -11.327 -6.125 7.965 1.00 0.00 H new ATOM 0 HA THR A 67 -10.738 -8.919 8.322 1.00 0.00 H new ATOM 0 HB THR A 67 -12.953 -7.149 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.593 -7.103 11.277 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.181 -8.753 11.202 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.557 -9.483 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.995 -9.817 10.408 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.252 -7.998 6.476 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.285 -8.471 5.560 1.00 0.00 C ATOM 1068 C HIS A 68 -13.756 -9.587 4.659 1.00 0.00 C ATOM 1069 O HIS A 68 -14.532 -10.368 4.106 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.805 -7.308 4.710 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.893 -7.695 3.755 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.708 -8.587 2.719 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -17.188 -7.303 3.682 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -16.840 -8.726 2.051 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -17.752 -7.959 2.616 1.00 0.00 N ATOM 0 H HIS A 68 -13.084 -6.993 6.438 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.105 -8.877 6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.176 -6.525 5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.975 -6.882 4.147 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.833 -9.065 2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.684 -6.605 4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.992 -9.359 1.190 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.435 -9.660 4.513 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.818 -10.682 3.675 1.00 0.00 C ATOM 1086 C GLU A 69 -11.074 -11.712 4.510 1.00 0.00 C ATOM 1087 O GLU A 69 -11.332 -12.912 4.403 1.00 0.00 O ATOM 1088 CB GLU A 69 -10.880 -10.034 2.652 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.797 -9.164 3.264 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.053 -8.348 2.226 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -9.717 -7.624 1.452 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -7.808 -8.420 2.192 1.00 0.00 O ATOM 0 H GLU A 69 -11.775 -9.026 4.963 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.612 -11.204 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.409 -10.819 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.472 -9.429 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.245 -8.493 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.089 -9.795 3.801 1.00 0.00 H new ATOM 1099 N THR A 70 -10.156 -11.245 5.335 1.00 0.00 N ATOM 1100 CA THR A 70 -9.375 -12.130 6.181 1.00 0.00 C ATOM 1101 C THR A 70 -8.704 -11.354 7.319 1.00 0.00 C ATOM 1102 O THR A 70 -9.353 -11.012 8.307 1.00 0.00 O ATOM 1103 CB THR A 70 -8.364 -12.883 5.313 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.037 -13.789 4.450 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.328 -13.661 6.106 1.00 0.00 C ATOM 0 H THR A 70 -9.932 -10.255 5.438 1.00 0.00 H new ATOM 0 HA THR A 70 -10.031 -12.859 6.657 1.00 0.00 H new ATOM 0 HB THR A 70 -7.835 -12.114 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.976 -13.864 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.649 -14.167 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.762 -12.975 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.828 -14.400 6.731 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.414 -11.072 7.181 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.680 -10.331 8.204 1.00 0.00 C ATOM 1115 C LYS A 71 -5.218 -10.138 7.810 1.00 0.00 C ATOM 1116 O LYS A 71 -4.352 -9.969 8.667 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.781 -11.035 9.564 1.00 0.00 C ATOM 1118 CG LYS A 71 -6.404 -12.511 9.543 1.00 0.00 C ATOM 1119 CD LYS A 71 -4.931 -12.723 9.228 1.00 0.00 C ATOM 1120 CE LYS A 71 -4.529 -14.179 9.405 1.00 0.00 C ATOM 1121 NZ LYS A 71 -4.790 -14.661 10.790 1.00 0.00 N ATOM 0 H LYS A 71 -6.854 -11.344 6.373 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.137 -9.345 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.136 -10.519 10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.802 -10.939 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.635 -12.957 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.011 -13.029 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.728 -12.410 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.324 -12.095 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.079 -14.797 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.470 -14.294 9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.975 -15.214 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.937 -13.846 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.640 -15.260 10.795 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.954 -10.149 6.507 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.600 -9.959 6.001 1.00 0.00 C ATOM 1137 C HIS A 72 -3.474 -8.587 5.357 1.00 0.00 C ATOM 1138 O HIS A 72 -3.328 -8.471 4.141 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.249 -11.046 4.982 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.273 -12.432 5.546 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.459 -12.840 6.580 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -4.018 -13.510 5.208 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.700 -14.109 6.853 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.643 -14.539 6.035 1.00 0.00 N ATOM 0 H HIS A 72 -5.659 -10.287 5.783 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.905 -10.029 6.838 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.950 -10.990 4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.257 -10.845 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.768 -13.553 4.432 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.209 -14.696 7.616 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.030 -15.483 6.020 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.550 -7.547 6.180 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.466 -6.178 5.690 1.00 0.00 C ATOM 1155 C PHE A 73 -2.129 -5.539 6.049 1.00 0.00 C ATOM 1156 O PHE A 73 -1.251 -6.179 6.620 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.583 -5.335 6.300 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.368 -5.078 7.762 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.745 -6.012 8.713 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.746 -3.915 8.179 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -4.508 -5.785 10.055 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.510 -3.681 9.516 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.890 -4.617 10.458 1.00 0.00 C ATOM 0 H PHE A 73 -3.670 -7.627 7.190 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.564 -6.213 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.647 -4.384 5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.537 -5.843 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.229 -6.926 8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.442 -3.181 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.806 -6.520 10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.028 -2.766 9.827 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.705 -4.436 11.507 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.004 -4.258 5.733 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.796 -3.507 6.044 1.00 0.00 C ATOM 1175 C ILE A 74 -1.018 -2.012 5.805 1.00 0.00 C ATOM 1176 O ILE A 74 -1.131 -1.568 4.663 1.00 0.00 O ATOM 1177 CB ILE A 74 0.400 -3.991 5.203 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.670 -3.269 5.644 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.143 -3.770 3.721 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.902 -3.697 4.880 1.00 0.00 C ATOM 0 H ILE A 74 -2.727 -3.716 5.260 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.568 -3.676 7.096 1.00 0.00 H new ATOM 0 HB ILE A 74 0.530 -5.061 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.530 -2.195 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.830 -3.449 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.001 -4.119 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.746 -4.324 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.011 -2.707 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.767 -3.144 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.067 -4.765 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.762 -3.492 3.819 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.085 -1.239 6.887 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.298 0.206 6.781 1.00 0.00 C ATOM 1194 C TYR A 75 0.027 0.952 6.679 1.00 0.00 C ATOM 1195 O TYR A 75 0.986 0.631 7.381 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.086 0.737 7.984 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.467 0.141 8.144 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.439 0.309 7.167 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -3.802 -0.585 9.279 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.703 -0.229 7.315 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.063 -1.129 9.435 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.009 -0.948 8.450 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.268 -1.486 8.601 1.00 0.00 O ATOM 0 H TYR A 75 -0.996 -1.585 7.842 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.874 0.379 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.513 0.543 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.180 1.819 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.203 0.870 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.064 -0.727 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.447 -0.087 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.305 -1.693 10.324 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.319 -1.963 9.455 1.00 0.00 H new ATOM 1213 N PHE A 76 0.070 1.958 5.812 1.00 0.00 N ATOM 1214 CA PHE A 76 1.273 2.760 5.630 1.00 0.00 C ATOM 1215 C PHE A 76 0.964 4.030 4.847 1.00 0.00 C ATOM 1216 O PHE A 76 0.631 3.982 3.663 1.00 0.00 O ATOM 1217 CB PHE A 76 2.367 1.951 4.929 1.00 0.00 C ATOM 1218 CG PHE A 76 1.958 1.389 3.598 1.00 0.00 C ATOM 1219 CD1 PHE A 76 0.940 0.453 3.506 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.599 1.792 2.438 1.00 0.00 C ATOM 1221 CE1 PHE A 76 0.568 -0.068 2.283 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.232 1.274 1.212 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.216 0.342 1.134 1.00 0.00 C ATOM 0 H PHE A 76 -0.715 2.237 5.224 1.00 0.00 H new ATOM 0 HA PHE A 76 1.638 3.046 6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.241 2.587 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.670 1.131 5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.432 0.127 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.395 2.520 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.228 -0.795 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.739 1.597 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.928 -0.066 0.176 1.00 0.00 H new ATOM 1233 N TYR A 77 1.068 5.167 5.527 1.00 0.00 N ATOM 1234 CA TYR A 77 0.796 6.460 4.914 1.00 0.00 C ATOM 1235 C TYR A 77 2.076 7.063 4.343 1.00 0.00 C ATOM 1236 O TYR A 77 3.095 7.139 5.030 1.00 0.00 O ATOM 1237 CB TYR A 77 0.182 7.403 5.955 1.00 0.00 C ATOM 1238 CG TYR A 77 -0.414 8.667 5.376 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.371 9.590 4.700 1.00 0.00 C ATOM 1240 CD2 TYR A 77 -1.771 8.933 5.513 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -0.179 10.745 4.178 1.00 0.00 C ATOM 1242 CE2 TYR A 77 -2.329 10.085 4.992 1.00 0.00 C ATOM 1243 CZ TYR A 77 -1.529 10.987 4.327 1.00 0.00 C ATOM 1244 OH TYR A 77 -2.080 12.138 3.810 1.00 0.00 O ATOM 0 H TYR A 77 1.340 5.218 6.509 1.00 0.00 H new ATOM 0 HA TYR A 77 0.090 6.322 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.594 6.866 6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.950 7.676 6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.428 9.403 4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.400 8.228 6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.445 11.455 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.386 10.277 5.106 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.041 12.155 4.000 1.00 0.00 H new ATOM 1254 N LEU A 78 2.021 7.485 3.083 1.00 0.00 N ATOM 1255 CA LEU A 78 3.184 8.073 2.426 1.00 0.00 C ATOM 1256 C LEU A 78 2.904 9.508 1.988 1.00 0.00 C ATOM 1257 O LEU A 78 1.851 9.802 1.421 1.00 0.00 O ATOM 1258 CB LEU A 78 3.590 7.232 1.214 1.00 0.00 C ATOM 1259 CG LEU A 78 3.984 5.788 1.532 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.385 5.052 0.263 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.116 5.758 2.549 1.00 0.00 C ATOM 0 H LEU A 78 1.187 7.431 2.498 1.00 0.00 H new ATOM 0 HA LEU A 78 4.002 8.087 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.762 7.219 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.428 7.720 0.716 1.00 0.00 H new ATOM 0 HG LEU A 78 3.120 5.281 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.662 4.027 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.547 5.044 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.234 5.557 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.384 4.724 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.983 6.281 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.793 6.248 3.468 1.00 0.00 H new ATOM 1273 N GLY A 79 3.857 10.398 2.253 1.00 0.00 N ATOM 1274 CA GLY A 79 3.703 11.794 1.879 1.00 0.00 C ATOM 1275 C GLY A 79 2.401 12.395 2.374 1.00 0.00 C ATOM 1276 O GLY A 79 2.263 12.703 3.559 1.00 0.00 O ATOM 0 H GLY A 79 4.736 10.177 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.538 12.367 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.749 11.882 0.794 1.00 0.00 H new ATOM 1280 N GLN A 80 1.444 12.559 1.465 1.00 0.00 N ATOM 1281 CA GLN A 80 0.145 13.123 1.814 1.00 0.00 C ATOM 1282 C GLN A 80 -0.994 12.226 1.332 1.00 0.00 C ATOM 1283 O GLN A 80 -2.071 12.706 0.979 1.00 0.00 O ATOM 1284 CB GLN A 80 0.003 14.535 1.236 1.00 0.00 C ATOM 1285 CG GLN A 80 0.445 14.661 -0.213 1.00 0.00 C ATOM 1286 CD GLN A 80 -0.368 13.798 -1.157 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -1.588 13.934 -1.246 1.00 0.00 O ATOM 1288 NE2 GLN A 80 0.308 12.905 -1.870 1.00 0.00 N ATOM 0 H GLN A 80 1.544 12.309 0.481 1.00 0.00 H new ATOM 0 HA GLN A 80 0.084 13.184 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.039 14.845 1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.588 15.225 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.365 15.703 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.497 14.385 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.319 12.827 -1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.184 12.297 -2.524 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.746 10.917 1.336 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.744 9.935 0.916 1.00 0.00 C ATOM 1299 C VAL A 81 -1.609 8.651 1.730 1.00 0.00 C ATOM 1300 O VAL A 81 -0.501 8.204 2.023 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.622 9.590 -0.586 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.594 8.481 -0.968 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.864 10.820 -1.446 1.00 0.00 C ATOM 0 H VAL A 81 0.143 10.511 1.627 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.721 10.386 1.089 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.606 9.237 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.490 8.256 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.374 7.587 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.614 8.806 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.773 10.552 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.865 11.206 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.128 11.586 -1.202 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.745 8.061 2.087 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.751 6.827 2.861 1.00 0.00 C ATOM 1315 C ALA A 82 -2.820 5.613 1.943 1.00 0.00 C ATOM 1316 O ALA A 82 -3.645 5.559 1.032 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.917 6.820 3.838 1.00 0.00 C ATOM 0 H ALA A 82 -3.671 8.418 1.853 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.821 6.774 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.908 5.892 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.826 7.666 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.854 6.898 3.287 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.949 4.640 2.185 1.00 0.00 N ATOM 1324 CA ILE A 83 -1.915 3.428 1.377 1.00 0.00 C ATOM 1325 C ILE A 83 -1.990 2.196 2.264 1.00 0.00 C ATOM 1326 O ILE A 83 -1.280 2.098 3.264 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.638 3.372 0.512 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.533 4.633 -0.341 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.636 2.132 -0.375 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.746 4.716 -1.143 1.00 0.00 C ATOM 0 H ILE A 83 -1.257 4.667 2.934 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.780 3.445 0.715 1.00 0.00 H new ATOM 0 HB ILE A 83 0.226 3.316 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.383 4.672 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.603 5.507 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.274 2.115 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.676 1.239 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.504 2.154 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.751 5.638 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.601 4.709 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.809 3.861 -1.817 1.00 0.00 H new ATOM 1342 N LEU A 84 -2.858 1.259 1.903 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.017 0.043 2.692 1.00 0.00 C ATOM 1344 C LEU A 84 -3.305 -1.164 1.809 1.00 0.00 C ATOM 1345 O LEU A 84 -4.218 -1.144 0.985 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.129 0.218 3.731 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.418 0.861 3.215 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -6.563 0.604 4.180 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.224 2.360 3.020 1.00 0.00 C ATOM 0 H LEU A 84 -3.456 1.315 1.079 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.075 -0.139 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.372 -0.760 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.744 0.824 4.551 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.664 0.412 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.472 1.068 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.719 -0.470 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.320 1.029 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.150 2.802 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.955 2.819 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.428 2.533 2.296 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.512 -2.212 1.992 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.669 -3.436 1.219 1.00 0.00 C ATOM 1363 C LEU A 85 -3.216 -4.563 2.089 1.00 0.00 C ATOM 1364 O LEU A 85 -2.843 -4.703 3.253 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.333 -3.852 0.600 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.329 -5.222 -0.080 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.434 -5.304 -1.123 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.028 -5.499 -0.710 1.00 0.00 C ATOM 0 H LEU A 85 -1.752 -2.238 2.671 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.383 -3.241 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.040 -3.100 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.573 -3.849 1.381 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.517 -5.984 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.416 -6.286 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.400 -5.151 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.279 -4.534 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.014 -6.478 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.247 -4.733 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.797 -5.485 0.062 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.105 -5.359 1.504 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.718 -6.484 2.207 1.00 0.00 C ATOM 1382 C PHE A 86 -5.247 -7.520 1.223 1.00 0.00 C ATOM 1383 O PHE A 86 -5.561 -7.198 0.077 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.857 -6.008 3.114 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.585 -4.807 2.581 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.035 -3.541 2.705 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.809 -4.941 1.946 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -6.689 -2.432 2.208 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.469 -3.834 1.447 1.00 0.00 C ATOM 1390 CZ PHE A 86 -7.909 -2.578 1.578 1.00 0.00 C ATOM 0 H PHE A 86 -4.419 -5.246 0.540 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.945 -6.945 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.568 -6.823 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.452 -5.771 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.081 -3.421 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.252 -5.920 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.247 -1.452 2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.423 -3.951 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.424 -1.712 1.189 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.343 -8.767 1.675 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.835 -9.846 0.827 1.00 0.00 C ATOM 1402 C LYS A 87 -6.734 -10.802 1.598 1.00 0.00 C ATOM 1403 O LYS A 87 -6.624 -10.932 2.818 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.661 -10.601 0.203 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.758 -11.297 1.210 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.302 -12.660 1.616 1.00 0.00 C ATOM 1407 CE LYS A 87 -4.391 -13.603 0.425 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.081 -13.752 -0.267 1.00 0.00 N ATOM 0 H LYS A 87 -5.088 -9.054 2.620 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.435 -9.401 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.051 -11.344 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.063 -9.901 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.762 -11.416 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.652 -10.670 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.659 -13.097 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.290 -12.541 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.737 -14.580 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.133 -13.228 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.120 -14.567 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.876 -12.890 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.331 -13.904 0.438 1.00 0.00 H new ATOM 1422 N SER A 88 -7.628 -11.465 0.875 1.00 0.00 N ATOM 1423 CA SER A 88 -8.560 -12.414 1.478 1.00 0.00 C ATOM 1424 C SER A 88 -7.894 -13.772 1.702 1.00 0.00 C ATOM 1425 O SER A 88 -8.126 -14.718 0.949 1.00 0.00 O ATOM 1426 CB SER A 88 -9.786 -12.591 0.579 1.00 0.00 C ATOM 1427 OG SER A 88 -9.421 -13.148 -0.673 1.00 0.00 O ATOM 0 H SER A 88 -7.729 -11.363 -0.135 1.00 0.00 H new ATOM 0 HA SER A 88 -8.868 -12.014 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.512 -13.238 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.271 -11.627 0.425 1.00 0.00 H new ATOM 0 HG SER A 88 -8.943 -13.992 -0.529 1.00 0.00 H new ATOM 1433 N GLY A 89 -7.068 -13.863 2.740 1.00 0.00 N ATOM 1434 CA GLY A 89 -6.386 -15.112 3.042 1.00 0.00 C ATOM 1435 C GLY A 89 -7.321 -16.308 3.037 1.00 0.00 C ATOM 1436 O GLY A 89 -7.063 -17.259 2.269 1.00 0.00 O ATOM 1437 OXT GLY A 89 -8.307 -16.294 3.802 1.00 0.00 O ATOM 0 H GLY A 89 -6.858 -13.095 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.593 -15.273 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.909 -15.033 4.019 1.00 0.00 H new TER 1441 GLY A 89