USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 40 THR OG1 : rot -127:sc= -0.639 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.034 K(o=-0.61,f=-3.6!) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.64 USER MOD Set 2.2: A 67 THR OG1 : rot -49:sc= 0.832 USER MOD Set 2.3: A 70 SER OG : rot -118:sc= 2.16 USER MOD Set 3.1: A 26 THR OG1 : rot -173:sc= 0.774 USER MOD Set 3.2: A 28 SER OG : rot -75:sc= 0.88 USER MOD Set 4.1: A 9 THR OG1 : rot -60:sc= 0.438 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.982 (180deg=-0.0413) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0.914 (180deg=0.897) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.27 (180deg=-0.721) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 0.927 (180deg=0.837) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 24 THR OG1 : rot -60:sc= 0.316 USER MOD Single : A 29 SER OG : rot -163:sc= 0.885 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0.919 (180deg=0.877) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.9 K(o=0.9,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -143:sc= -0.0686 (180deg=-1.41) USER MOD Single : A 46 GLN : amide:sc= 0.854 K(o=0.85,f=-0.014) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.091 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.49) USER MOD Single : A 62 ASN : amide:sc= 1.21 K(o=1.2,f=-6.1!) USER MOD Single : A 64 TYR OH : rot 158:sc= 1.14 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.567 7.569 6.982 1.00 0.00 N ATOM 2 CA ALA A 1 -12.408 8.954 6.554 1.00 0.00 C ATOM 3 C ALA A 1 -12.373 9.898 7.751 1.00 0.00 C ATOM 4 O ALA A 1 -13.276 9.891 8.587 1.00 0.00 O ATOM 5 CB ALA A 1 -13.530 9.345 5.604 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.761 7.006 6.643 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.605 7.529 8.021 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.449 7.183 6.588 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.456 9.039 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.399 10.381 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.507 8.697 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.489 9.237 6.110 1.00 0.00 H new ATOM 11 N ALA A 2 -11.324 10.710 7.827 1.00 0.00 N ATOM 12 CA ALA A 2 -11.178 11.669 8.914 1.00 0.00 C ATOM 13 C ALA A 2 -10.225 12.796 8.527 1.00 0.00 C ATOM 14 O ALA A 2 -9.669 12.804 7.430 1.00 0.00 O ATOM 15 CB ALA A 2 -10.686 10.969 10.173 1.00 0.00 C ATOM 0 H ALA A 2 -10.563 10.723 7.148 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.156 12.107 9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.581 11.697 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.404 10.204 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.720 10.504 9.977 1.00 0.00 H new ATOM 21 N VAL A 3 -10.041 13.748 9.438 1.00 0.00 N ATOM 22 CA VAL A 3 -9.188 14.901 9.178 1.00 0.00 C ATOM 23 C VAL A 3 -7.753 14.470 8.895 1.00 0.00 C ATOM 24 O VAL A 3 -7.030 15.134 8.152 1.00 0.00 O ATOM 25 CB VAL A 3 -9.195 15.888 10.360 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.151 16.975 10.153 1.00 0.00 C ATOM 27 CG2 VAL A 3 -10.576 16.502 10.533 1.00 0.00 C ATOM 0 H VAL A 3 -10.472 13.742 10.363 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.594 15.401 8.299 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.945 15.339 11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.170 17.663 10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.163 16.521 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.371 17.521 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.563 17.197 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.853 17.036 9.624 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.303 15.713 10.726 1.00 0.00 H new ATOM 37 N ARG A 4 -7.347 13.355 9.492 1.00 0.00 N ATOM 38 CA ARG A 4 -5.952 12.933 9.457 1.00 0.00 C ATOM 39 C ARG A 4 -5.661 12.122 8.198 1.00 0.00 C ATOM 40 O ARG A 4 -5.603 10.893 8.236 1.00 0.00 O ATOM 41 CB ARG A 4 -5.547 12.177 10.714 1.00 0.00 C ATOM 42 CG ARG A 4 -5.671 12.971 12.005 1.00 0.00 C ATOM 43 CD ARG A 4 -5.207 12.247 13.216 1.00 0.00 C ATOM 44 NE ARG A 4 -5.333 13.000 14.454 1.00 0.00 N ATOM 45 CZ ARG A 4 -4.976 12.540 15.668 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.507 11.322 15.821 1.00 0.00 N ATOM 47 NH2 ARG A 4 -5.133 13.340 16.710 1.00 0.00 N ATOM 0 H ARG A 4 -7.965 12.727 10.006 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.341 13.835 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.161 11.280 10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.514 11.847 10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.099 13.894 11.906 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.714 13.256 12.144 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.774 11.321 13.310 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.162 11.969 13.079 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.719 13.943 14.399 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.408 10.708 15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.242 10.990 16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.515 14.277 16.581 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.872 13.020 17.643 1.00 0.00 H new ATOM 61 N LYS A 5 -5.479 12.819 7.080 1.00 0.00 N ATOM 62 CA LYS A 5 -5.270 12.164 5.795 1.00 0.00 C ATOM 63 C LYS A 5 -3.786 12.125 5.439 1.00 0.00 C ATOM 64 O LYS A 5 -3.009 12.969 5.888 1.00 0.00 O ATOM 65 CB LYS A 5 -6.058 12.875 4.694 1.00 0.00 C ATOM 66 CG LYS A 5 -7.571 12.753 4.825 1.00 0.00 C ATOM 67 CD LYS A 5 -8.282 13.386 3.638 1.00 0.00 C ATOM 68 CE LYS A 5 -9.765 13.045 3.634 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.438 13.505 2.389 1.00 0.00 N ATOM 0 H LYS A 5 -5.472 13.838 7.039 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.631 11.139 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.789 13.931 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.755 12.471 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.848 11.701 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.898 13.234 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.156 14.468 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.825 13.040 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.890 11.967 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.245 13.505 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.430 13.194 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.401 14.543 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.954 13.100 1.563 1.00 0.00 H new ATOM 83 N ILE A 6 -3.403 11.143 4.631 1.00 0.00 N ATOM 84 CA ILE A 6 -2.058 11.097 4.072 1.00 0.00 C ATOM 85 C ILE A 6 -2.082 10.638 2.619 1.00 0.00 C ATOM 86 O ILE A 6 -2.957 9.872 2.212 1.00 0.00 O ATOM 87 CB ILE A 6 -1.140 10.162 4.880 1.00 0.00 C ATOM 88 CG1 ILE A 6 -1.742 8.757 4.956 1.00 0.00 C ATOM 89 CG2 ILE A 6 -0.908 10.721 6.276 1.00 0.00 C ATOM 90 CD1 ILE A 6 -0.824 7.732 5.582 1.00 0.00 C ATOM 0 H ILE A 6 -4.004 10.369 4.349 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.662 12.111 4.124 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.178 10.097 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.668 8.799 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.004 8.430 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.257 10.048 6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.438 11.702 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.863 10.814 6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.321 6.762 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.093 7.659 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.581 8.035 6.601 1.00 0.00 H new ATOM 102 N HIS A 7 -1.116 11.109 1.837 1.00 0.00 N ATOM 103 CA HIS A 7 -0.979 10.684 0.448 1.00 0.00 C ATOM 104 C HIS A 7 0.066 9.578 0.320 1.00 0.00 C ATOM 105 O HIS A 7 1.204 9.732 0.763 1.00 0.00 O ATOM 106 CB HIS A 7 -0.604 11.869 -0.448 1.00 0.00 C ATOM 107 CG HIS A 7 -1.643 12.946 -0.486 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.820 12.819 -1.194 1.00 0.00 N ATOM 109 CD2 HIS A 7 -1.682 14.169 0.094 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.539 13.918 -1.047 1.00 0.00 C ATOM 111 NE2 HIS A 7 -2.870 14.752 -0.271 1.00 0.00 N ATOM 0 H HIS A 7 -0.416 11.786 2.142 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.942 10.292 0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.336 12.295 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.431 11.507 -1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.921 14.604 0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.508 14.103 -1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.185 15.680 0.012 1.00 0.00 H new ATOM 118 N VAL A 8 -0.330 8.464 -0.288 1.00 0.00 N ATOM 119 CA VAL A 8 0.584 7.351 -0.516 1.00 0.00 C ATOM 120 C VAL A 8 0.832 7.141 -2.005 1.00 0.00 C ATOM 121 O VAL A 8 -0.106 6.969 -2.785 1.00 0.00 O ATOM 122 CB VAL A 8 0.047 6.044 0.096 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.970 4.881 -0.237 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.108 6.185 1.603 1.00 0.00 C ATOM 0 H VAL A 8 -1.278 8.308 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 8 1.523 7.609 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.934 5.840 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.575 3.965 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.033 4.765 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.964 5.078 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.489 5.252 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.860 6.412 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.807 6.992 1.823 1.00 0.00 H new ATOM 134 N THR A 9 2.103 7.153 -2.396 1.00 0.00 N ATOM 135 CA THR A 9 2.482 6.869 -3.774 1.00 0.00 C ATOM 136 C THR A 9 2.734 5.380 -3.979 1.00 0.00 C ATOM 137 O THR A 9 3.654 4.809 -3.392 1.00 0.00 O ATOM 138 CB THR A 9 3.740 7.655 -4.188 1.00 0.00 C ATOM 139 OG1 THR A 9 3.468 9.061 -4.129 1.00 0.00 O ATOM 140 CG2 THR A 9 4.161 7.282 -5.601 1.00 0.00 C ATOM 0 H THR A 9 2.887 7.357 -1.777 1.00 0.00 H new ATOM 0 HA THR A 9 1.647 7.183 -4.401 1.00 0.00 H new ATOM 0 HB THR A 9 4.549 7.405 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.737 9.279 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.051 7.847 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.380 6.215 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.354 7.516 -6.295 1.00 0.00 H new ATOM 148 N VAL A 10 1.914 4.754 -4.817 1.00 0.00 N ATOM 149 CA VAL A 10 2.069 3.339 -5.124 1.00 0.00 C ATOM 150 C VAL A 10 2.844 3.140 -6.423 1.00 0.00 C ATOM 151 O VAL A 10 2.403 3.561 -7.493 1.00 0.00 O ATOM 152 CB VAL A 10 0.705 2.632 -5.239 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.892 1.170 -5.615 1.00 0.00 C ATOM 154 CG2 VAL A 10 -0.067 2.751 -3.934 1.00 0.00 C ATOM 0 H VAL A 10 1.135 5.206 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 10 2.627 2.898 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 10 0.130 3.119 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.082 0.687 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.406 1.104 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.486 0.670 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.028 2.246 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.505 2.289 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.232 3.804 -3.703 1.00 0.00 H new ATOM 164 N LYS A 11 4.003 2.495 -6.322 1.00 0.00 N ATOM 165 CA LYS A 11 4.900 2.351 -7.462 1.00 0.00 C ATOM 166 C LYS A 11 4.900 0.915 -7.975 1.00 0.00 C ATOM 167 O LYS A 11 5.211 -0.019 -7.235 1.00 0.00 O ATOM 168 CB LYS A 11 6.320 2.777 -7.084 1.00 0.00 C ATOM 169 CG LYS A 11 6.467 4.257 -6.754 1.00 0.00 C ATOM 170 CD LYS A 11 7.914 4.617 -6.457 1.00 0.00 C ATOM 171 CE LYS A 11 8.090 6.119 -6.294 1.00 0.00 C ATOM 172 NZ LYS A 11 9.512 6.493 -6.069 1.00 0.00 N ATOM 0 H LYS A 11 4.342 2.064 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 11 4.540 3.001 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.645 2.192 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.991 2.533 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.106 4.856 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.845 4.503 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.237 4.110 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.553 4.260 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.718 6.626 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.487 6.466 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.560 7.292 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.026 5.681 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.946 6.768 -6.973 1.00 0.00 H new ATOM 186 N PHE A 12 4.552 0.746 -9.247 1.00 0.00 N ATOM 187 CA PHE A 12 4.835 -0.494 -9.959 1.00 0.00 C ATOM 188 C PHE A 12 5.847 -0.263 -11.077 1.00 0.00 C ATOM 189 O PHE A 12 6.008 0.849 -11.582 1.00 0.00 O ATOM 190 CB PHE A 12 3.546 -1.092 -10.527 1.00 0.00 C ATOM 191 CG PHE A 12 2.568 -1.534 -9.476 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.730 -2.747 -8.824 1.00 0.00 C ATOM 193 CD2 PHE A 12 1.484 -0.738 -9.137 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.831 -3.157 -7.859 1.00 0.00 C ATOM 195 CE2 PHE A 12 0.585 -1.145 -8.171 1.00 0.00 C ATOM 196 CZ PHE A 12 0.757 -2.354 -7.532 1.00 0.00 C ATOM 0 H PHE A 12 4.073 1.453 -9.805 1.00 0.00 H new ATOM 0 HA PHE A 12 5.266 -1.200 -9.249 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.066 -0.353 -11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.799 -1.945 -11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.569 -3.379 -9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.341 0.210 -9.634 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.968 -4.105 -7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.254 -0.515 -7.916 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.053 -2.672 -6.777 1.00 0.00 H new ATOM 206 N PRO A 13 6.547 -1.336 -11.473 1.00 0.00 N ATOM 207 CA PRO A 13 7.456 -1.307 -12.622 1.00 0.00 C ATOM 208 C PRO A 13 6.737 -0.975 -13.923 1.00 0.00 C ATOM 209 O PRO A 13 7.346 -0.480 -14.872 1.00 0.00 O ATOM 210 CB PRO A 13 8.061 -2.714 -12.649 1.00 0.00 C ATOM 211 CG PRO A 13 7.060 -3.562 -11.941 1.00 0.00 C ATOM 212 CD PRO A 13 6.486 -2.684 -10.861 1.00 0.00 C ATOM 0 HA PRO A 13 8.211 -0.527 -12.527 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.221 -3.058 -13.671 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.029 -2.740 -12.148 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.282 -3.905 -12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.527 -4.451 -11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.465 -2.968 -10.608 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.069 -2.739 -9.942 1.00 0.00 H new ATOM 220 N SER A 14 5.436 -1.248 -13.961 1.00 0.00 N ATOM 221 CA SER A 14 4.641 -1.016 -15.162 1.00 0.00 C ATOM 222 C SER A 14 4.018 0.377 -15.141 1.00 0.00 C ATOM 223 O SER A 14 3.815 0.995 -16.186 1.00 0.00 O ATOM 224 CB SER A 14 3.565 -2.076 -15.291 1.00 0.00 C ATOM 225 OG SER A 14 2.636 -2.014 -14.245 1.00 0.00 O ATOM 0 H SER A 14 4.911 -1.630 -13.175 1.00 0.00 H new ATOM 0 HA SER A 14 5.301 -1.079 -16.027 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.048 -1.953 -16.242 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.028 -3.062 -15.306 1.00 0.00 H new ATOM 0 HG SER A 14 1.959 -2.712 -14.367 1.00 0.00 H new ATOM 231 N LYS A 15 3.717 0.865 -13.942 1.00 0.00 N ATOM 232 CA LYS A 15 3.101 2.176 -13.782 1.00 0.00 C ATOM 233 C LYS A 15 3.185 2.645 -12.334 1.00 0.00 C ATOM 234 O LYS A 15 3.328 1.835 -11.417 1.00 0.00 O ATOM 235 CB LYS A 15 1.641 2.143 -14.242 1.00 0.00 C ATOM 236 CG LYS A 15 0.717 1.331 -13.343 1.00 0.00 C ATOM 237 CD LYS A 15 -0.720 1.380 -13.839 1.00 0.00 C ATOM 238 CE LYS A 15 -1.651 0.609 -12.916 1.00 0.00 C ATOM 239 NZ LYS A 15 -3.053 0.601 -13.418 1.00 0.00 N ATOM 0 H LYS A 15 3.890 0.371 -13.066 1.00 0.00 H new ATOM 0 HA LYS A 15 3.649 2.883 -14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.267 3.165 -14.298 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.600 1.732 -15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.057 0.296 -13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.766 1.717 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.048 2.417 -13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.774 0.963 -14.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.296 -0.417 -12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.625 1.053 -11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.687 0.248 -12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.333 1.567 -13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.120 -0.018 -14.251 1.00 0.00 H new ATOM 253 N GLN A 16 3.098 3.956 -12.135 1.00 0.00 N ATOM 254 CA GLN A 16 3.081 4.526 -10.793 1.00 0.00 C ATOM 255 C GLN A 16 1.912 5.491 -10.627 1.00 0.00 C ATOM 256 O GLN A 16 1.481 6.131 -11.586 1.00 0.00 O ATOM 257 CB GLN A 16 4.398 5.250 -10.499 1.00 0.00 C ATOM 258 CG GLN A 16 5.631 4.371 -10.619 1.00 0.00 C ATOM 259 CD GLN A 16 6.916 5.140 -10.372 1.00 0.00 C ATOM 260 OE1 GLN A 16 6.901 6.362 -10.199 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.037 4.428 -10.359 1.00 0.00 N ATOM 0 H GLN A 16 3.038 4.644 -12.886 1.00 0.00 H new ATOM 0 HA GLN A 16 2.961 3.707 -10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.498 6.092 -11.184 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.356 5.662 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.559 3.550 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.662 3.927 -11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.002 3.419 -10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.933 4.890 -10.201 1.00 0.00 H new ATOM 270 N PHE A 17 1.405 5.593 -9.403 1.00 0.00 N ATOM 271 CA PHE A 17 0.266 6.458 -9.117 1.00 0.00 C ATOM 272 C PHE A 17 0.201 6.795 -7.630 1.00 0.00 C ATOM 273 O PHE A 17 0.824 6.132 -6.802 1.00 0.00 O ATOM 274 CB PHE A 17 -1.038 5.795 -9.568 1.00 0.00 C ATOM 275 CG PHE A 17 -1.287 4.457 -8.934 1.00 0.00 C ATOM 276 CD1 PHE A 17 -0.753 3.301 -9.484 1.00 0.00 C ATOM 277 CD2 PHE A 17 -2.056 4.351 -7.785 1.00 0.00 C ATOM 278 CE1 PHE A 17 -0.983 2.070 -8.903 1.00 0.00 C ATOM 279 CE2 PHE A 17 -2.287 3.119 -7.200 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.751 1.979 -7.759 1.00 0.00 C ATOM 0 H PHE A 17 1.765 5.088 -8.593 1.00 0.00 H new ATOM 0 HA PHE A 17 0.397 7.386 -9.674 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.871 6.458 -9.335 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.019 5.676 -10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.150 3.365 -10.378 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.479 5.240 -7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.562 1.178 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.888 3.050 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.931 1.017 -7.303 1.00 0.00 H new ATOM 290 N THR A 18 -0.561 7.835 -7.298 1.00 0.00 N ATOM 291 CA THR A 18 -0.711 8.261 -5.913 1.00 0.00 C ATOM 292 C THR A 18 -2.169 8.201 -5.474 1.00 0.00 C ATOM 293 O THR A 18 -3.075 8.525 -6.244 1.00 0.00 O ATOM 294 CB THR A 18 -0.181 9.691 -5.701 1.00 0.00 C ATOM 295 OG1 THR A 18 1.217 9.737 -6.018 1.00 0.00 O ATOM 296 CG2 THR A 18 -0.385 10.128 -4.258 1.00 0.00 C ATOM 0 H THR A 18 -1.083 8.397 -7.971 1.00 0.00 H new ATOM 0 HA THR A 18 -0.123 7.572 -5.307 1.00 0.00 H new ATOM 0 HB THR A 18 -0.732 10.367 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.553 10.648 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.004 11.141 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.448 10.106 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.151 9.450 -3.593 1.00 0.00 H new ATOM 304 N VAL A 19 -2.392 7.782 -4.232 1.00 0.00 N ATOM 305 CA VAL A 19 -3.744 7.598 -3.718 1.00 0.00 C ATOM 306 C VAL A 19 -3.941 8.356 -2.410 1.00 0.00 C ATOM 307 O VAL A 19 -2.976 8.702 -1.729 1.00 0.00 O ATOM 308 CB VAL A 19 -4.066 6.110 -3.492 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.995 5.345 -4.806 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.111 5.506 -2.475 1.00 0.00 C ATOM 0 H VAL A 19 -1.653 7.564 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.424 7.995 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.080 6.033 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.225 4.295 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.717 5.761 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.992 5.431 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.354 4.454 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.088 5.595 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.206 6.036 -1.527 1.00 0.00 H new ATOM 320 N GLU A 20 -5.199 8.607 -2.061 1.00 0.00 N ATOM 321 CA GLU A 20 -5.524 9.330 -0.837 1.00 0.00 C ATOM 322 C GLU A 20 -6.111 8.391 0.212 1.00 0.00 C ATOM 323 O GLU A 20 -7.153 7.772 -0.008 1.00 0.00 O ATOM 324 CB GLU A 20 -6.500 10.472 -1.129 1.00 0.00 C ATOM 325 CG GLU A 20 -6.867 11.313 0.085 1.00 0.00 C ATOM 326 CD GLU A 20 -7.846 12.395 -0.275 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.514 13.223 -1.090 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.964 12.332 0.178 1.00 0.00 O ATOM 0 H GLU A 20 -6.010 8.320 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.600 9.752 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.063 11.122 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.412 10.054 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.296 10.674 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.966 11.760 0.506 1.00 0.00 H new ATOM 335 N VAL A 21 -5.435 8.289 1.352 1.00 0.00 N ATOM 336 CA VAL A 21 -5.841 7.360 2.401 1.00 0.00 C ATOM 337 C VAL A 21 -5.826 8.035 3.768 1.00 0.00 C ATOM 338 O VAL A 21 -5.298 9.137 3.923 1.00 0.00 O ATOM 339 CB VAL A 21 -4.929 6.120 2.440 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.028 5.343 1.137 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.487 6.527 2.708 1.00 0.00 C ATOM 0 H VAL A 21 -4.604 8.838 1.573 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.857 7.043 2.167 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.262 5.474 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.377 4.470 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.058 5.020 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.721 5.981 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.857 5.638 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.144 7.194 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.426 7.041 3.667 1.00 0.00 H new ATOM 351 N ASP A 22 -6.409 7.368 4.757 1.00 0.00 N ATOM 352 CA ASP A 22 -6.486 7.912 6.108 1.00 0.00 C ATOM 353 C ASP A 22 -5.480 7.229 7.029 1.00 0.00 C ATOM 354 O ASP A 22 -5.425 6.001 7.100 1.00 0.00 O ATOM 355 CB ASP A 22 -7.903 7.763 6.668 1.00 0.00 C ATOM 356 CG ASP A 22 -8.089 8.335 8.067 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.106 8.665 8.688 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.211 8.582 8.441 1.00 0.00 O ATOM 0 H ASP A 22 -6.836 6.448 4.649 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.240 8.973 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.602 8.255 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.165 6.705 6.683 1.00 0.00 H new ATOM 363 N ARG A 23 -4.687 8.032 7.729 1.00 0.00 N ATOM 364 CA ARG A 23 -3.564 7.512 8.499 1.00 0.00 C ATOM 365 C ARG A 23 -4.053 6.706 9.699 1.00 0.00 C ATOM 366 O ARG A 23 -3.331 5.862 10.232 1.00 0.00 O ATOM 367 CB ARG A 23 -2.596 8.609 8.919 1.00 0.00 C ATOM 368 CG ARG A 23 -3.090 9.498 10.050 1.00 0.00 C ATOM 369 CD ARG A 23 -2.208 10.655 10.348 1.00 0.00 C ATOM 370 NE ARG A 23 -0.902 10.296 10.879 1.00 0.00 N ATOM 371 CZ ARG A 23 0.207 11.052 10.759 1.00 0.00 C ATOM 372 NH1 ARG A 23 0.183 12.188 10.098 1.00 0.00 N ATOM 373 NH2 ARG A 23 1.326 10.609 11.303 1.00 0.00 N ATOM 0 H ARG A 23 -4.801 9.044 7.779 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.007 6.840 7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.656 8.148 9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.379 9.234 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.083 9.869 9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.195 8.894 10.952 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.069 11.234 9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.711 11.305 11.064 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.820 9.410 11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.684 12.509 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.031 12.749 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.334 9.717 11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.182 11.159 11.229 1.00 0.00 H new ATOM 387 N THR A 24 -5.286 6.972 10.120 1.00 0.00 N ATOM 388 CA THR A 24 -5.864 6.292 11.273 1.00 0.00 C ATOM 389 C THR A 24 -6.615 5.034 10.851 1.00 0.00 C ATOM 390 O THR A 24 -7.039 4.242 11.690 1.00 0.00 O ATOM 391 CB THR A 24 -6.820 7.213 12.052 1.00 0.00 C ATOM 392 OG1 THR A 24 -7.906 7.607 11.202 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.087 8.454 12.538 1.00 0.00 C ATOM 0 H THR A 24 -5.904 7.654 9.679 1.00 0.00 H new ATOM 0 HA THR A 24 -5.034 6.015 11.923 1.00 0.00 H new ATOM 0 HB THR A 24 -7.203 6.668 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.555 8.090 10.425 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.778 9.094 13.087 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.268 8.159 13.194 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.689 9.000 11.683 1.00 0.00 H new ATOM 401 N GLU A 25 -6.775 4.857 9.542 1.00 0.00 N ATOM 402 CA GLU A 25 -7.296 3.608 8.999 1.00 0.00 C ATOM 403 C GLU A 25 -6.175 2.591 8.802 1.00 0.00 C ATOM 404 O GLU A 25 -4.995 2.944 8.799 1.00 0.00 O ATOM 405 CB GLU A 25 -8.021 3.859 7.676 1.00 0.00 C ATOM 406 CG GLU A 25 -9.360 4.570 7.817 1.00 0.00 C ATOM 407 CD GLU A 25 -10.053 4.697 6.490 1.00 0.00 C ATOM 408 OE1 GLU A 25 -10.285 3.692 5.863 1.00 0.00 O ATOM 409 OE2 GLU A 25 -10.453 5.788 6.153 1.00 0.00 O ATOM 0 H GLU A 25 -6.551 5.562 8.840 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.008 3.199 9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.375 4.452 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.182 2.903 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.996 4.019 8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.205 5.560 8.245 1.00 0.00 H new ATOM 416 N THR A 26 -6.552 1.328 8.639 1.00 0.00 N ATOM 417 CA THR A 26 -5.580 0.257 8.468 1.00 0.00 C ATOM 418 C THR A 26 -5.058 0.210 7.036 1.00 0.00 C ATOM 419 O THR A 26 -5.628 0.825 6.137 1.00 0.00 O ATOM 420 CB THR A 26 -6.181 -1.115 8.830 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.286 -1.399 7.962 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.660 -1.122 10.273 1.00 0.00 C ATOM 0 H THR A 26 -7.525 1.021 8.622 1.00 0.00 H new ATOM 0 HA THR A 26 -4.754 0.472 9.146 1.00 0.00 H new ATOM 0 HB THR A 26 -5.410 -1.876 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.736 -2.217 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.082 -2.098 10.512 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.820 -0.918 10.936 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.423 -0.355 10.407 1.00 0.00 H new ATOM 430 N VAL A 27 -3.968 -0.526 6.833 1.00 0.00 N ATOM 431 CA VAL A 27 -3.323 -0.589 5.526 1.00 0.00 C ATOM 432 C VAL A 27 -4.236 -1.244 4.495 1.00 0.00 C ATOM 433 O VAL A 27 -4.050 -1.074 3.290 1.00 0.00 O ATOM 434 CB VAL A 27 -1.994 -1.366 5.590 1.00 0.00 C ATOM 435 CG1 VAL A 27 -2.254 -2.850 5.804 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.187 -1.145 4.320 1.00 0.00 C ATOM 0 H VAL A 27 -3.515 -1.085 7.555 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.117 0.438 5.225 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.416 -0.992 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.304 -3.383 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.793 -2.994 6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.851 -3.238 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.251 -1.701 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.759 -1.493 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.971 -0.083 4.206 1.00 0.00 H new ATOM 446 N SER A 28 -5.223 -1.993 4.976 1.00 0.00 N ATOM 447 CA SER A 28 -6.120 -2.731 4.096 1.00 0.00 C ATOM 448 C SER A 28 -6.912 -1.780 3.203 1.00 0.00 C ATOM 449 O SER A 28 -7.337 -2.150 2.108 1.00 0.00 O ATOM 450 CB SER A 28 -7.060 -3.597 4.913 1.00 0.00 C ATOM 451 OG SER A 28 -7.987 -2.832 5.634 1.00 0.00 O ATOM 0 H SER A 28 -5.421 -2.104 5.970 1.00 0.00 H new ATOM 0 HA SER A 28 -5.518 -3.374 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.591 -4.280 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.480 -4.209 5.604 1.00 0.00 H new ATOM 0 HG SER A 28 -7.542 -2.420 6.404 1.00 0.00 H new ATOM 457 N SER A 29 -7.103 -0.554 3.678 1.00 0.00 N ATOM 458 CA SER A 29 -7.686 0.501 2.858 1.00 0.00 C ATOM 459 C SER A 29 -6.757 0.870 1.706 1.00 0.00 C ATOM 460 O SER A 29 -7.201 1.089 0.579 1.00 0.00 O ATOM 461 CB SER A 29 -7.985 1.720 3.709 1.00 0.00 C ATOM 462 OG SER A 29 -8.983 1.467 4.659 1.00 0.00 O ATOM 0 H SER A 29 -6.863 -0.267 4.627 1.00 0.00 H new ATOM 0 HA SER A 29 -8.620 0.131 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.075 2.040 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.297 2.543 3.066 1.00 0.00 H new ATOM 0 HG SER A 29 -9.331 2.316 5.002 1.00 0.00 H new ATOM 468 N LEU A 30 -5.462 0.936 1.997 1.00 0.00 N ATOM 469 CA LEU A 30 -4.455 1.165 0.965 1.00 0.00 C ATOM 470 C LEU A 30 -4.420 0.006 -0.026 1.00 0.00 C ATOM 471 O LEU A 30 -4.278 0.211 -1.232 1.00 0.00 O ATOM 472 CB LEU A 30 -3.076 1.367 1.604 1.00 0.00 C ATOM 473 CG LEU A 30 -1.921 1.563 0.614 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.151 2.817 -0.217 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.607 1.655 1.376 1.00 0.00 C ATOM 0 H LEU A 30 -5.084 0.834 2.939 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.723 2.069 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.121 2.235 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.854 0.504 2.231 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.875 0.710 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.325 2.947 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.084 2.720 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.209 3.684 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.213 1.794 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.643 2.501 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.449 0.736 1.940 1.00 0.00 H new ATOM 487 N LYS A 31 -4.550 -1.212 0.490 1.00 0.00 N ATOM 488 CA LYS A 31 -4.564 -2.403 -0.351 1.00 0.00 C ATOM 489 C LYS A 31 -5.764 -2.388 -1.294 1.00 0.00 C ATOM 490 O LYS A 31 -5.653 -2.764 -2.461 1.00 0.00 O ATOM 491 CB LYS A 31 -4.583 -3.667 0.510 1.00 0.00 C ATOM 492 CG LYS A 31 -3.300 -3.916 1.292 1.00 0.00 C ATOM 493 CD LYS A 31 -3.374 -5.214 2.079 1.00 0.00 C ATOM 494 CE LYS A 31 -2.077 -5.484 2.827 1.00 0.00 C ATOM 495 NZ LYS A 31 -2.108 -6.789 3.541 1.00 0.00 N ATOM 0 H LYS A 31 -4.647 -1.400 1.488 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.655 -2.403 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.415 -3.601 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.775 -4.526 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.455 -3.953 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.121 -3.085 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.201 -5.165 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.584 -6.041 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.244 -5.475 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.898 -4.683 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.164 -6.998 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.795 -6.742 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.387 -7.541 2.879 1.00 0.00 H new ATOM 509 N ASP A 32 -6.907 -1.948 -0.781 1.00 0.00 N ATOM 510 CA ASP A 32 -8.093 -1.758 -1.608 1.00 0.00 C ATOM 511 C ASP A 32 -7.814 -0.775 -2.741 1.00 0.00 C ATOM 512 O ASP A 32 -8.180 -1.015 -3.892 1.00 0.00 O ATOM 513 CB ASP A 32 -9.267 -1.267 -0.759 1.00 0.00 C ATOM 514 CG ASP A 32 -9.879 -2.329 0.144 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.573 -3.483 -0.038 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.522 -1.969 1.101 1.00 0.00 O ATOM 0 H ASP A 32 -7.038 -1.716 0.204 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.357 -2.721 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.930 -0.434 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.042 -0.881 -1.421 1.00 0.00 H new ATOM 521 N LYS A 33 -7.166 0.336 -2.406 1.00 0.00 N ATOM 522 CA LYS A 33 -6.826 1.351 -3.396 1.00 0.00 C ATOM 523 C LYS A 33 -5.900 0.781 -4.465 1.00 0.00 C ATOM 524 O LYS A 33 -6.052 1.071 -5.652 1.00 0.00 O ATOM 525 CB LYS A 33 -6.173 2.560 -2.724 1.00 0.00 C ATOM 526 CG LYS A 33 -7.122 3.395 -1.874 1.00 0.00 C ATOM 527 CD LYS A 33 -8.148 4.115 -2.735 1.00 0.00 C ATOM 528 CE LYS A 33 -9.027 5.034 -1.899 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.053 5.726 -2.725 1.00 0.00 N ATOM 0 H LYS A 33 -6.866 0.556 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.749 1.673 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.352 2.212 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.738 3.197 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.633 2.752 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.552 4.124 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.637 4.697 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.770 3.384 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.520 4.454 -1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.404 5.775 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.630 6.342 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.583 6.301 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.664 5.020 -3.183 1.00 0.00 H new ATOM 543 N ILE A 34 -4.940 -0.034 -4.037 1.00 0.00 N ATOM 544 CA ILE A 34 -4.053 -0.723 -4.966 1.00 0.00 C ATOM 545 C ILE A 34 -4.829 -1.697 -5.847 1.00 0.00 C ATOM 546 O ILE A 34 -4.572 -1.808 -7.045 1.00 0.00 O ATOM 547 CB ILE A 34 -2.941 -1.486 -4.223 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.997 -0.506 -3.522 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.171 -2.375 -5.187 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.072 -1.160 -2.522 1.00 0.00 C ATOM 0 H ILE A 34 -4.757 -0.233 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.596 0.042 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.402 -2.120 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.399 0.009 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.590 0.253 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.389 -2.907 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.852 -3.095 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.719 -1.761 -5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.434 -0.402 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.662 -1.651 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.452 -1.899 -3.029 1.00 0.00 H new ATOM 562 N HIS A 35 -5.782 -2.401 -5.244 1.00 0.00 N ATOM 563 CA HIS A 35 -6.580 -3.384 -5.967 1.00 0.00 C ATOM 564 C HIS A 35 -7.456 -2.706 -7.018 1.00 0.00 C ATOM 565 O HIS A 35 -7.698 -3.263 -8.089 1.00 0.00 O ATOM 566 CB HIS A 35 -7.449 -4.195 -5.000 1.00 0.00 C ATOM 567 CG HIS A 35 -8.308 -5.217 -5.676 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.784 -6.286 -6.373 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.654 -5.334 -5.763 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.772 -7.017 -6.860 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.916 -6.461 -6.503 1.00 0.00 N ATOM 0 H HIS A 35 -6.020 -2.309 -4.256 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.895 -4.064 -6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.804 -4.696 -4.278 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.086 -3.512 -4.438 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.790 -6.482 -6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.385 -4.666 -5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.663 -7.915 -7.449 1.00 0.00 H new ATOM 578 N ILE A 36 -7.927 -1.506 -6.702 1.00 0.00 N ATOM 579 CA ILE A 36 -8.783 -0.758 -7.615 1.00 0.00 C ATOM 580 C ILE A 36 -8.017 -0.330 -8.861 1.00 0.00 C ATOM 581 O ILE A 36 -8.494 -0.499 -9.984 1.00 0.00 O ATOM 582 CB ILE A 36 -9.380 0.488 -6.936 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.391 0.079 -5.861 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.034 1.394 -7.968 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.781 1.205 -4.930 1.00 0.00 C ATOM 0 H ILE A 36 -7.731 -1.030 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.595 -1.426 -7.904 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.572 1.041 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.288 -0.306 -6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.972 -0.737 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.451 2.270 -7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.289 1.711 -8.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.831 0.851 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.499 0.839 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.894 1.575 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.231 2.014 -5.506 1.00 0.00 H new ATOM 597 N VAL A 37 -6.825 0.221 -8.657 1.00 0.00 N ATOM 598 CA VAL A 37 -6.040 0.773 -9.754 1.00 0.00 C ATOM 599 C VAL A 37 -5.288 -0.325 -10.499 1.00 0.00 C ATOM 600 O VAL A 37 -5.196 -0.305 -11.725 1.00 0.00 O ATOM 601 CB VAL A 37 -5.031 1.825 -9.255 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.177 2.332 -10.408 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.756 2.981 -8.582 1.00 0.00 C ATOM 0 H VAL A 37 -6.382 0.297 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.744 1.253 -10.433 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.377 1.354 -8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.470 3.074 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.631 1.499 -10.850 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.818 2.787 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.028 3.715 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.433 3.451 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.327 2.607 -7.732 1.00 0.00 H new ATOM 613 N GLU A 38 -4.753 -1.283 -9.747 1.00 0.00 N ATOM 614 CA GLU A 38 -3.947 -2.348 -10.330 1.00 0.00 C ATOM 615 C GLU A 38 -4.768 -3.625 -10.495 1.00 0.00 C ATOM 616 O GLU A 38 -5.634 -3.927 -9.676 1.00 0.00 O ATOM 617 CB GLU A 38 -2.713 -2.621 -9.467 1.00 0.00 C ATOM 618 CG GLU A 38 -1.707 -3.577 -10.091 1.00 0.00 C ATOM 619 CD GLU A 38 -1.298 -3.121 -11.463 1.00 0.00 C ATOM 620 OE1 GLU A 38 -2.116 -3.155 -12.350 1.00 0.00 O ATOM 621 OE2 GLU A 38 -0.201 -2.632 -11.602 1.00 0.00 O ATOM 0 H GLU A 38 -4.864 -1.343 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.619 -2.021 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.215 -1.674 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.037 -3.029 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.827 -3.650 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.140 -4.575 -10.151 1.00 0.00 H new ATOM 628 N ASN A 39 -4.487 -4.368 -11.559 1.00 0.00 N ATOM 629 CA ASN A 39 -5.234 -5.584 -11.860 1.00 0.00 C ATOM 630 C ASN A 39 -4.614 -6.791 -11.163 1.00 0.00 C ATOM 631 O ASN A 39 -4.017 -7.656 -11.806 1.00 0.00 O ATOM 632 CB ASN A 39 -5.322 -5.826 -13.356 1.00 0.00 C ATOM 633 CG ASN A 39 -6.164 -4.817 -14.085 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.058 -4.189 -13.505 1.00 0.00 O ATOM 635 ND2 ASN A 39 -5.939 -4.716 -15.371 1.00 0.00 N ATOM 0 H ASN A 39 -3.748 -4.150 -12.227 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.247 -5.446 -11.481 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.316 -5.817 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.732 -6.821 -13.530 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.514 -4.097 -15.942 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.188 -5.256 -15.801 1.00 0.00 H new ATOM 642 N THR A 40 -4.760 -6.844 -9.843 1.00 0.00 N ATOM 643 CA THR A 40 -4.187 -7.925 -9.053 1.00 0.00 C ATOM 644 C THR A 40 -4.942 -8.109 -7.742 1.00 0.00 C ATOM 645 O THR A 40 -5.110 -7.175 -6.957 1.00 0.00 O ATOM 646 CB THR A 40 -2.699 -7.674 -8.746 1.00 0.00 C ATOM 647 OG1 THR A 40 -1.975 -7.516 -9.973 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.112 -8.837 -7.962 1.00 0.00 C ATOM 0 H THR A 40 -5.271 -6.149 -9.298 1.00 0.00 H new ATOM 0 HA THR A 40 -4.277 -8.832 -9.651 1.00 0.00 H new ATOM 0 HB THR A 40 -2.616 -6.767 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.212 -8.131 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.060 -8.642 -7.754 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.652 -8.952 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.203 -9.752 -8.547 1.00 0.00 H new ATOM 656 N PRO A 41 -5.409 -9.343 -7.495 1.00 0.00 N ATOM 657 CA PRO A 41 -6.089 -9.696 -6.246 1.00 0.00 C ATOM 658 C PRO A 41 -5.282 -9.303 -5.013 1.00 0.00 C ATOM 659 O PRO A 41 -4.056 -9.425 -5.000 1.00 0.00 O ATOM 660 CB PRO A 41 -6.276 -11.214 -6.344 1.00 0.00 C ATOM 661 CG PRO A 41 -6.305 -11.490 -7.809 1.00 0.00 C ATOM 662 CD PRO A 41 -5.328 -10.520 -8.418 1.00 0.00 C ATOM 0 HA PRO A 41 -7.033 -9.163 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.461 -11.747 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.200 -11.533 -5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.019 -12.520 -8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.306 -11.347 -8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.320 -10.933 -8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.605 -10.254 -9.438 1.00 0.00 H new ATOM 670 N ILE A 42 -5.973 -8.832 -3.983 1.00 0.00 N ATOM 671 CA ILE A 42 -5.315 -8.356 -2.773 1.00 0.00 C ATOM 672 C ILE A 42 -4.510 -9.469 -2.111 1.00 0.00 C ATOM 673 O ILE A 42 -3.423 -9.236 -1.582 1.00 0.00 O ATOM 674 CB ILE A 42 -6.329 -7.795 -1.760 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.954 -6.501 -2.289 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.661 -7.556 -0.415 1.00 0.00 C ATOM 677 CD1 ILE A 42 -8.135 -6.018 -1.480 1.00 0.00 C ATOM 0 H ILE A 42 -6.991 -8.769 -3.961 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.641 -7.555 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.123 -8.529 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.193 -5.721 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.271 -6.657 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.392 -7.159 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.263 -8.497 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.848 -6.840 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.523 -5.098 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.915 -6.779 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.820 -5.828 -0.454 1.00 0.00 H new ATOM 689 N LYS A 43 -5.050 -10.682 -2.145 1.00 0.00 N ATOM 690 CA LYS A 43 -4.402 -11.827 -1.516 1.00 0.00 C ATOM 691 C LYS A 43 -3.121 -12.201 -2.256 1.00 0.00 C ATOM 692 O LYS A 43 -2.253 -12.879 -1.707 1.00 0.00 O ATOM 693 CB LYS A 43 -5.353 -13.024 -1.468 1.00 0.00 C ATOM 694 CG LYS A 43 -6.538 -12.849 -0.529 1.00 0.00 C ATOM 695 CD LYS A 43 -7.451 -14.066 -0.555 1.00 0.00 C ATOM 696 CE LYS A 43 -8.618 -13.906 0.408 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.528 -15.082 0.380 1.00 0.00 N ATOM 0 H LYS A 43 -5.936 -10.898 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.141 -11.547 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.727 -13.216 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.791 -13.907 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.178 -12.684 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.103 -11.962 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.830 -14.217 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.880 -14.957 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.237 -13.766 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.179 -13.007 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.309 -14.932 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.912 -15.201 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.000 -15.936 0.649 1.00 0.00 H new ATOM 711 N ARG A 44 -3.011 -11.753 -3.502 1.00 0.00 N ATOM 712 CA ARG A 44 -1.867 -12.096 -4.337 1.00 0.00 C ATOM 713 C ARG A 44 -0.878 -10.936 -4.409 1.00 0.00 C ATOM 714 O ARG A 44 0.333 -11.144 -4.488 1.00 0.00 O ATOM 715 CB ARG A 44 -2.286 -12.560 -5.724 1.00 0.00 C ATOM 716 CG ARG A 44 -3.151 -13.811 -5.746 1.00 0.00 C ATOM 717 CD ARG A 44 -3.622 -14.206 -7.099 1.00 0.00 C ATOM 718 NE ARG A 44 -4.565 -15.313 -7.108 1.00 0.00 N ATOM 719 CZ ARG A 44 -5.143 -15.816 -8.217 1.00 0.00 C ATOM 720 NH1 ARG A 44 -4.906 -15.295 -9.400 1.00 0.00 N ATOM 721 NH2 ARG A 44 -5.972 -16.836 -8.080 1.00 0.00 N ATOM 0 H ARG A 44 -3.700 -11.152 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.363 -12.940 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.829 -11.751 -6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.389 -12.745 -6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.585 -14.637 -5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.018 -13.650 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.089 -13.343 -7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.758 -14.476 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.806 -15.738 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.276 -14.498 -9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.352 -15.688 -10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.159 -17.221 -7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.425 -17.239 -8.900 1.00 0.00 H new ATOM 735 N MET A 45 -1.402 -9.715 -4.381 1.00 0.00 N ATOM 736 CA MET A 45 -0.563 -8.523 -4.361 1.00 0.00 C ATOM 737 C MET A 45 0.270 -8.467 -3.086 1.00 0.00 C ATOM 738 O MET A 45 -0.256 -8.619 -1.983 1.00 0.00 O ATOM 739 CB MET A 45 -1.424 -7.268 -4.489 1.00 0.00 C ATOM 740 CG MET A 45 -0.641 -5.962 -4.462 1.00 0.00 C ATOM 741 SD MET A 45 -0.322 -5.380 -2.785 1.00 0.00 S ATOM 742 CE MET A 45 -1.965 -4.877 -2.282 1.00 0.00 C ATOM 0 H MET A 45 -2.404 -9.525 -4.372 1.00 0.00 H new ATOM 0 HA MET A 45 0.118 -8.570 -5.211 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.986 -7.321 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.152 -7.258 -3.678 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.307 -6.100 -4.981 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.195 -5.199 -5.008 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.898 -3.981 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.567 -4.665 -3.166 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.431 -5.678 -1.709 1.00 0.00 H new ATOM 752 N GLN A 46 1.572 -8.247 -3.244 1.00 0.00 N ATOM 753 CA GLN A 46 2.478 -8.170 -2.102 1.00 0.00 C ATOM 754 C GLN A 46 2.807 -6.721 -1.765 1.00 0.00 C ATOM 755 O GLN A 46 3.250 -5.957 -2.624 1.00 0.00 O ATOM 756 CB GLN A 46 3.768 -8.943 -2.387 1.00 0.00 C ATOM 757 CG GLN A 46 3.550 -10.392 -2.791 1.00 0.00 C ATOM 758 CD GLN A 46 2.864 -11.197 -1.704 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.367 -11.312 -0.584 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.709 -11.765 -2.031 1.00 0.00 N ATOM 0 H GLN A 46 2.023 -8.119 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 46 1.976 -8.621 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.315 -8.435 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.398 -8.916 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.949 -10.427 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.511 -10.849 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.329 -11.644 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.202 -12.322 -1.343 1.00 0.00 H new ATOM 769 N LEU A 47 2.588 -6.346 -0.510 1.00 0.00 N ATOM 770 CA LEU A 47 2.739 -4.958 -0.088 1.00 0.00 C ATOM 771 C LEU A 47 3.792 -4.834 1.009 1.00 0.00 C ATOM 772 O LEU A 47 3.629 -5.375 2.103 1.00 0.00 O ATOM 773 CB LEU A 47 1.394 -4.400 0.394 1.00 0.00 C ATOM 774 CG LEU A 47 1.431 -2.950 0.893 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.837 -2.018 -0.240 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.064 -2.567 1.443 1.00 0.00 C ATOM 0 H LEU A 47 2.305 -6.984 0.234 1.00 0.00 H new ATOM 0 HA LEU A 47 3.073 -4.374 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.676 -4.468 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.022 -5.035 1.198 1.00 0.00 H new ATOM 0 HG LEU A 47 2.169 -2.858 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.860 -0.991 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.826 -2.297 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.116 -2.098 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.090 -1.537 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.684 -2.661 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.194 -3.229 2.270 1.00 0.00 H new ATOM 788 N TYR A 48 4.869 -4.118 0.710 1.00 0.00 N ATOM 789 CA TYR A 48 5.983 -3.986 1.642 1.00 0.00 C ATOM 790 C TYR A 48 6.441 -2.535 1.741 1.00 0.00 C ATOM 791 O TYR A 48 6.259 -1.749 0.811 1.00 0.00 O ATOM 792 CB TYR A 48 7.150 -4.879 1.212 1.00 0.00 C ATOM 793 CG TYR A 48 7.683 -4.568 -0.169 1.00 0.00 C ATOM 794 CD1 TYR A 48 7.124 -5.154 -1.294 1.00 0.00 C ATOM 795 CD2 TYR A 48 8.746 -3.694 -0.342 1.00 0.00 C ATOM 796 CE1 TYR A 48 7.607 -4.875 -2.559 1.00 0.00 C ATOM 797 CE2 TYR A 48 9.237 -3.407 -1.602 1.00 0.00 C ATOM 798 CZ TYR A 48 8.664 -4.000 -2.708 1.00 0.00 C ATOM 799 OH TYR A 48 9.148 -3.720 -3.965 1.00 0.00 O ATOM 0 H TYR A 48 4.995 -3.619 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 48 5.639 -4.306 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.959 -4.776 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.828 -5.920 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.297 -5.840 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.198 -3.230 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.160 -5.339 -3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.064 -2.723 -1.720 1.00 0.00 H new ATOM 0 HH TYR A 48 9.892 -3.085 -3.895 1.00 0.00 H new ATOM 809 N TYR A 49 7.037 -2.185 2.876 1.00 0.00 N ATOM 810 CA TYR A 49 7.392 -0.800 3.160 1.00 0.00 C ATOM 811 C TYR A 49 8.714 -0.721 3.917 1.00 0.00 C ATOM 812 O TYR A 49 8.959 -1.493 4.844 1.00 0.00 O ATOM 813 CB TYR A 49 6.282 -0.116 3.961 1.00 0.00 C ATOM 814 CG TYR A 49 6.604 1.306 4.364 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.800 2.291 3.407 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.709 1.659 5.701 1.00 0.00 C ATOM 817 CE1 TYR A 49 7.095 3.590 3.770 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.003 2.956 6.076 1.00 0.00 C ATOM 819 CZ TYR A 49 7.195 3.919 5.107 1.00 0.00 C ATOM 820 OH TYR A 49 7.487 5.213 5.474 1.00 0.00 O ATOM 0 H TYR A 49 7.285 -2.843 3.615 1.00 0.00 H new ATOM 0 HA TYR A 49 7.510 -0.280 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.367 -0.117 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.082 -0.701 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.720 2.037 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.558 0.908 6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.247 4.344 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.082 3.214 7.122 1.00 0.00 H new ATOM 0 HH TYR A 49 7.520 5.276 6.451 1.00 0.00 H new ATOM 830 N SER A 50 9.564 0.220 3.515 1.00 0.00 N ATOM 831 CA SER A 50 10.813 0.475 4.221 1.00 0.00 C ATOM 832 C SER A 50 10.618 0.351 5.729 1.00 0.00 C ATOM 833 O SER A 50 9.715 0.958 6.302 1.00 0.00 O ATOM 834 CB SER A 50 11.344 1.850 3.865 1.00 0.00 C ATOM 835 OG SER A 50 12.542 2.139 4.530 1.00 0.00 O ATOM 0 H SER A 50 9.409 0.818 2.703 1.00 0.00 H new ATOM 0 HA SER A 50 11.543 -0.273 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.504 1.909 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.598 2.603 4.118 1.00 0.00 H new ATOM 0 HG SER A 50 12.852 3.032 4.272 1.00 0.00 H new ATOM 841 N GLY A 51 11.476 -0.442 6.366 1.00 0.00 N ATOM 842 CA GLY A 51 11.286 -0.763 7.769 1.00 0.00 C ATOM 843 C GLY A 51 10.370 -1.954 7.973 1.00 0.00 C ATOM 844 O GLY A 51 10.799 -3.102 7.855 1.00 0.00 O ATOM 0 H GLY A 51 12.298 -0.867 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.254 -0.971 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.870 0.103 8.284 1.00 0.00 H new ATOM 848 N ILE A 52 9.108 -1.680 8.281 1.00 0.00 N ATOM 849 CA ILE A 52 8.141 -2.737 8.550 1.00 0.00 C ATOM 850 C ILE A 52 7.362 -3.103 7.292 1.00 0.00 C ATOM 851 O ILE A 52 6.790 -2.238 6.631 1.00 0.00 O ATOM 852 CB ILE A 52 7.151 -2.330 9.657 1.00 0.00 C ATOM 853 CG1 ILE A 52 7.896 -2.059 10.967 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.099 -3.410 9.853 1.00 0.00 C ATOM 855 CD1 ILE A 52 7.039 -1.424 12.036 1.00 0.00 C ATOM 0 H ILE A 52 8.730 -0.735 8.351 1.00 0.00 H new ATOM 0 HA ILE A 52 8.709 -3.604 8.887 1.00 0.00 H new ATOM 0 HB ILE A 52 6.648 -1.413 9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.297 -2.999 11.347 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.746 -1.409 10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.408 -3.106 10.639 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.550 -3.556 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.584 -4.343 10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.636 -1.263 12.933 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.659 -0.468 11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.202 -2.082 12.270 1.00 0.00 H new ATOM 867 N GLU A 53 7.345 -4.392 6.967 1.00 0.00 N ATOM 868 CA GLU A 53 6.533 -4.891 5.863 1.00 0.00 C ATOM 869 C GLU A 53 5.046 -4.813 6.203 1.00 0.00 C ATOM 870 O GLU A 53 4.631 -5.171 7.307 1.00 0.00 O ATOM 871 CB GLU A 53 6.922 -6.329 5.516 1.00 0.00 C ATOM 872 CG GLU A 53 6.166 -6.918 4.334 1.00 0.00 C ATOM 873 CD GLU A 53 6.641 -8.309 4.020 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.511 -8.789 4.707 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.060 -8.935 3.165 1.00 0.00 O ATOM 0 H GLU A 53 7.884 -5.109 7.452 1.00 0.00 H new ATOM 0 HA GLU A 53 6.721 -4.260 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.990 -6.362 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.753 -6.959 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.099 -6.937 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.299 -6.280 3.460 1.00 0.00 H new ATOM 882 N LEU A 54 4.251 -4.343 5.248 1.00 0.00 N ATOM 883 CA LEU A 54 2.854 -4.016 5.509 1.00 0.00 C ATOM 884 C LEU A 54 1.975 -5.260 5.407 1.00 0.00 C ATOM 885 O LEU A 54 1.101 -5.344 4.544 1.00 0.00 O ATOM 886 CB LEU A 54 2.369 -2.936 4.534 1.00 0.00 C ATOM 887 CG LEU A 54 3.256 -1.686 4.451 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.644 -0.674 3.493 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.421 -1.084 5.839 1.00 0.00 C ATOM 0 H LEU A 54 4.550 -4.180 4.287 1.00 0.00 H new ATOM 0 HA LEU A 54 2.778 -3.630 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.293 -3.375 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.364 -2.630 4.826 1.00 0.00 H new ATOM 0 HG LEU A 54 4.239 -1.964 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.281 0.209 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.558 -1.118 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.655 -0.388 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.051 -0.197 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.443 -0.809 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.887 -1.815 6.500 1.00 0.00 H new ATOM 901 N ALA A 55 2.213 -6.221 6.292 1.00 0.00 N ATOM 902 CA ALA A 55 1.549 -7.516 6.211 1.00 0.00 C ATOM 903 C ALA A 55 0.514 -7.672 7.320 1.00 0.00 C ATOM 904 O ALA A 55 -0.253 -8.634 7.335 1.00 0.00 O ATOM 905 CB ALA A 55 2.572 -8.639 6.280 1.00 0.00 C ATOM 0 H ALA A 55 2.861 -6.128 7.074 1.00 0.00 H new ATOM 0 HA ALA A 55 1.030 -7.571 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.062 -9.600 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.271 -8.546 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.117 -8.577 7.222 1.00 0.00 H new ATOM 911 N ASP A 56 0.500 -6.720 8.248 1.00 0.00 N ATOM 912 CA ASP A 56 -0.453 -6.744 9.352 1.00 0.00 C ATOM 913 C ASP A 56 -1.697 -5.927 9.015 1.00 0.00 C ATOM 914 O ASP A 56 -1.661 -4.696 9.016 1.00 0.00 O ATOM 915 CB ASP A 56 0.197 -6.214 10.633 1.00 0.00 C ATOM 916 CG ASP A 56 -0.703 -6.265 11.861 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.863 -6.565 11.712 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.193 -6.157 12.950 1.00 0.00 O ATOM 0 H ASP A 56 1.137 -5.923 8.257 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.756 -7.778 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.099 -6.791 10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.509 -5.183 10.468 1.00 0.00 H new ATOM 923 N ASP A 57 -2.792 -6.620 8.726 1.00 0.00 N ATOM 924 CA ASP A 57 -4.007 -5.966 8.252 1.00 0.00 C ATOM 925 C ASP A 57 -4.596 -5.065 9.333 1.00 0.00 C ATOM 926 O ASP A 57 -5.282 -4.087 9.032 1.00 0.00 O ATOM 927 CB ASP A 57 -5.040 -7.006 7.809 1.00 0.00 C ATOM 928 CG ASP A 57 -4.725 -7.680 6.480 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.863 -7.199 5.783 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.232 -8.750 6.245 1.00 0.00 O ATOM 0 H ASP A 57 -2.864 -7.634 8.811 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.744 -5.347 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.120 -7.772 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.015 -6.524 7.736 1.00 0.00 H new ATOM 935 N TYR A 58 -4.323 -5.400 10.589 1.00 0.00 N ATOM 936 CA TYR A 58 -4.970 -4.735 11.713 1.00 0.00 C ATOM 937 C TYR A 58 -4.140 -3.547 12.194 1.00 0.00 C ATOM 938 O TYR A 58 -4.607 -2.731 12.988 1.00 0.00 O ATOM 939 CB TYR A 58 -5.194 -5.721 12.862 1.00 0.00 C ATOM 940 CG TYR A 58 -6.153 -6.842 12.529 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.524 -6.654 12.617 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.686 -8.085 12.128 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.406 -7.673 12.315 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.558 -9.112 11.822 1.00 0.00 C ATOM 945 CZ TYR A 58 -7.919 -8.902 11.917 1.00 0.00 C ATOM 946 OH TYR A 58 -8.793 -9.921 11.615 1.00 0.00 O ATOM 0 H TYR A 58 -3.659 -6.127 10.854 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.937 -4.364 11.374 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.235 -6.150 13.151 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.573 -5.176 13.727 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.909 -5.694 12.927 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.622 -8.253 12.054 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.471 -7.509 12.390 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.177 -10.073 11.510 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.288 -10.718 11.352 1.00 0.00 H new ATOM 956 N ARG A 59 -2.908 -3.457 11.705 1.00 0.00 N ATOM 957 CA ARG A 59 -2.039 -2.332 12.023 1.00 0.00 C ATOM 958 C ARG A 59 -2.388 -1.117 11.167 1.00 0.00 C ATOM 959 O ARG A 59 -2.584 -1.234 9.959 1.00 0.00 O ATOM 960 CB ARG A 59 -0.566 -2.693 11.910 1.00 0.00 C ATOM 961 CG ARG A 59 0.396 -1.597 12.339 1.00 0.00 C ATOM 962 CD ARG A 59 1.814 -2.028 12.434 1.00 0.00 C ATOM 963 NE ARG A 59 2.089 -2.962 13.514 1.00 0.00 N ATOM 964 CZ ARG A 59 2.360 -2.605 14.784 1.00 0.00 C ATOM 965 NH1 ARG A 59 2.431 -1.340 15.131 1.00 0.00 N ATOM 966 NH2 ARG A 59 2.575 -3.564 15.670 1.00 0.00 N ATOM 0 H ARG A 59 -2.489 -4.151 11.086 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.214 -2.070 13.067 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.377 -3.580 12.515 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.351 -2.961 10.876 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.327 -0.772 11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.080 -1.212 13.309 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.105 -2.488 11.490 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.441 -1.146 12.565 1.00 0.00 H new ATOM 0 HE ARG A 59 2.076 -3.958 13.294 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.280 -0.611 14.434 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.637 -1.087 16.097 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.533 -4.542 15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.783 -3.325 16.640 1.00 0.00 H new ATOM 980 N ASN A 60 -2.463 0.048 11.804 1.00 0.00 N ATOM 981 CA ASN A 60 -2.851 1.272 11.113 1.00 0.00 C ATOM 982 C ASN A 60 -1.673 1.853 10.337 1.00 0.00 C ATOM 983 O ASN A 60 -0.513 1.594 10.660 1.00 0.00 O ATOM 984 CB ASN A 60 -3.408 2.303 12.078 1.00 0.00 C ATOM 985 CG ASN A 60 -4.709 1.896 12.713 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.701 1.632 12.025 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.732 1.926 14.021 1.00 0.00 N ATOM 0 H ASN A 60 -2.260 0.169 12.796 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.640 1.013 10.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.674 2.488 12.862 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.552 3.244 11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.598 1.725 14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.884 2.150 14.541 1.00 0.00 H new ATOM 994 N LEU A 61 -1.979 2.642 9.311 1.00 0.00 N ATOM 995 CA LEU A 61 -0.949 3.332 8.542 1.00 0.00 C ATOM 996 C LEU A 61 -0.109 4.232 9.443 1.00 0.00 C ATOM 997 O LEU A 61 1.106 4.329 9.280 1.00 0.00 O ATOM 998 CB LEU A 61 -1.587 4.150 7.413 1.00 0.00 C ATOM 999 CG LEU A 61 -2.250 3.324 6.304 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.005 4.240 5.350 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.190 2.527 5.558 1.00 0.00 C ATOM 0 H LEU A 61 -2.932 2.819 8.993 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.291 2.583 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.335 4.815 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.820 4.781 6.965 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.964 2.629 6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.472 3.644 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.774 4.783 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.310 4.950 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.663 1.941 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.465 3.210 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.682 1.858 6.253 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.765 4.886 10.397 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.066 5.686 11.396 1.00 0.00 C ATOM 1015 C ASN A 62 0.820 4.807 12.274 1.00 0.00 C ATOM 1016 O ASN A 62 1.932 5.190 12.632 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.035 6.480 12.252 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.365 7.468 13.166 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.274 8.426 12.717 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.439 7.195 14.443 1.00 0.00 N ATOM 0 H ASN A 62 -1.780 4.877 10.499 1.00 0.00 H new ATOM 0 HA ASN A 62 0.567 6.394 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.728 7.013 11.601 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.628 5.788 12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.045 7.786 15.120 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.980 6.392 14.762 1.00 0.00 H new ATOM 1027 N GLU A 63 0.315 3.625 12.618 1.00 0.00 N ATOM 1028 CA GLU A 63 1.078 2.675 13.419 1.00 0.00 C ATOM 1029 C GLU A 63 2.258 2.120 12.629 1.00 0.00 C ATOM 1030 O GLU A 63 3.264 1.703 13.204 1.00 0.00 O ATOM 1031 CB GLU A 63 0.178 1.534 13.899 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.799 1.922 14.999 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.739 0.794 15.318 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.764 -0.160 14.579 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.352 0.833 16.359 1.00 0.00 O ATOM 0 H GLU A 63 -0.617 3.304 12.355 1.00 0.00 H new ATOM 0 HA GLU A 63 1.467 3.204 14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.386 1.150 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.806 0.719 14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.247 2.203 15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.370 2.797 14.689 1.00 0.00 H new ATOM 1042 N TYR A 64 2.127 2.116 11.306 1.00 0.00 N ATOM 1043 CA TYR A 64 3.227 1.732 10.431 1.00 0.00 C ATOM 1044 C TYR A 64 4.270 2.842 10.347 1.00 0.00 C ATOM 1045 O TYR A 64 5.426 2.599 10.005 1.00 0.00 O ATOM 1046 CB TYR A 64 2.706 1.389 9.034 1.00 0.00 C ATOM 1047 CG TYR A 64 2.208 -0.032 8.896 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.064 -1.106 9.083 1.00 0.00 C ATOM 1049 CD2 TYR A 64 0.884 -0.296 8.577 1.00 0.00 C ATOM 1050 CE1 TYR A 64 2.616 -2.407 8.959 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.423 -1.593 8.450 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.294 -2.646 8.642 1.00 0.00 C ATOM 1053 OH TYR A 64 0.842 -3.940 8.516 1.00 0.00 O ATOM 0 H TYR A 64 1.270 2.374 10.817 1.00 0.00 H new ATOM 0 HA TYR A 64 3.702 0.847 10.855 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.896 2.073 8.781 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.503 1.556 8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.099 -0.923 9.330 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.201 0.527 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.296 -3.232 9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.611 -1.781 8.202 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.129 -3.961 8.644 1.00 0.00 H new ATOM 1063 N GLY A 65 3.850 4.065 10.662 1.00 0.00 N ATOM 1064 CA GLY A 65 4.736 5.207 10.542 1.00 0.00 C ATOM 1065 C GLY A 65 4.763 5.776 9.138 1.00 0.00 C ATOM 1066 O GLY A 65 5.741 6.408 8.736 1.00 0.00 O ATOM 0 H GLY A 65 2.912 4.284 10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.419 5.983 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.745 4.912 10.830 1.00 0.00 H new ATOM 1070 N ILE A 66 3.689 5.552 8.389 1.00 0.00 N ATOM 1071 CA ILE A 66 3.633 5.960 6.991 1.00 0.00 C ATOM 1072 C ILE A 66 3.143 7.398 6.856 1.00 0.00 C ATOM 1073 O ILE A 66 2.128 7.777 7.443 1.00 0.00 O ATOM 1074 CB ILE A 66 2.719 5.034 6.169 1.00 0.00 C ATOM 1075 CG1 ILE A 66 3.295 3.616 6.123 1.00 0.00 C ATOM 1076 CG2 ILE A 66 2.533 5.581 4.762 1.00 0.00 C ATOM 1077 CD1 ILE A 66 2.341 2.587 5.561 1.00 0.00 C ATOM 0 H ILE A 66 2.845 5.090 8.727 1.00 0.00 H new ATOM 0 HA ILE A 66 4.648 5.889 6.601 1.00 0.00 H new ATOM 0 HB ILE A 66 1.743 4.993 6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.203 3.622 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.583 3.318 7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.884 4.914 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.080 6.571 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.502 5.651 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.820 1.608 5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.442 2.550 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.072 2.859 4.540 1.00 0.00 H new ATOM 1089 N THR A 67 3.868 8.195 6.079 1.00 0.00 N ATOM 1090 CA THR A 67 3.620 9.629 6.012 1.00 0.00 C ATOM 1091 C THR A 67 2.981 10.017 4.685 1.00 0.00 C ATOM 1092 O THR A 67 2.789 9.173 3.809 1.00 0.00 O ATOM 1093 CB THR A 67 4.918 10.436 6.202 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.760 10.267 5.054 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.661 9.969 7.444 1.00 0.00 C ATOM 0 H THR A 67 4.633 7.871 5.487 1.00 0.00 H new ATOM 0 HA THR A 67 2.933 9.867 6.824 1.00 0.00 H new ATOM 0 HB THR A 67 4.660 11.488 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.833 9.314 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.575 10.551 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.028 10.107 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.913 8.914 7.342 1.00 0.00 H new ATOM 1103 N GLU A 68 2.654 11.298 4.541 1.00 0.00 N ATOM 1104 CA GLU A 68 2.055 11.800 3.309 1.00 0.00 C ATOM 1105 C GLU A 68 3.107 11.942 2.214 1.00 0.00 C ATOM 1106 O GLU A 68 2.786 12.260 1.067 1.00 0.00 O ATOM 1107 CB GLU A 68 1.363 13.142 3.556 1.00 0.00 C ATOM 1108 CG GLU A 68 2.308 14.280 3.917 1.00 0.00 C ATOM 1109 CD GLU A 68 1.551 15.538 4.238 1.00 0.00 C ATOM 1110 OE1 GLU A 68 0.343 15.503 4.217 1.00 0.00 O ATOM 1111 OE2 GLU A 68 2.173 16.503 4.614 1.00 0.00 O ATOM 0 H GLU A 68 2.794 12.006 5.261 1.00 0.00 H new ATOM 0 HA GLU A 68 1.308 11.079 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.805 13.419 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.637 13.020 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.918 13.991 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.991 14.465 3.088 1.00 0.00 H new ATOM 1118 N PHE A 69 4.364 11.708 2.573 1.00 0.00 N ATOM 1119 CA PHE A 69 5.459 11.781 1.613 1.00 0.00 C ATOM 1120 C PHE A 69 6.030 10.393 1.332 1.00 0.00 C ATOM 1121 O PHE A 69 6.859 10.219 0.439 1.00 0.00 O ATOM 1122 CB PHE A 69 6.560 12.711 2.126 1.00 0.00 C ATOM 1123 CG PHE A 69 6.099 14.120 2.367 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.799 14.959 1.304 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.965 14.611 3.657 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.375 16.255 1.523 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.540 15.908 3.880 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.246 16.730 2.813 1.00 0.00 C ATOM 0 H PHE A 69 4.650 11.466 3.522 1.00 0.00 H new ATOM 0 HA PHE A 69 5.064 12.185 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.961 12.306 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.377 12.724 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.898 14.594 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.195 13.973 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.144 16.897 0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.438 16.277 4.890 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.915 17.744 2.986 1.00 0.00 H new ATOM 1138 N SER A 70 5.578 9.409 2.102 1.00 0.00 N ATOM 1139 CA SER A 70 6.080 8.045 1.973 1.00 0.00 C ATOM 1140 C SER A 70 5.748 7.472 0.598 1.00 0.00 C ATOM 1141 O SER A 70 4.603 7.536 0.149 1.00 0.00 O ATOM 1142 CB SER A 70 5.504 7.168 3.067 1.00 0.00 C ATOM 1143 OG SER A 70 6.045 7.470 4.324 1.00 0.00 O ATOM 0 H SER A 70 4.865 9.530 2.822 1.00 0.00 H new ATOM 0 HA SER A 70 7.165 8.067 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.422 7.293 3.099 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.697 6.121 2.832 1.00 0.00 H new ATOM 0 HG SER A 70 6.518 6.686 4.673 1.00 0.00 H new ATOM 1149 N GLU A 71 6.756 6.914 -0.064 1.00 0.00 N ATOM 1150 CA GLU A 71 6.551 6.234 -1.337 1.00 0.00 C ATOM 1151 C GLU A 71 6.702 4.723 -1.178 1.00 0.00 C ATOM 1152 O GLU A 71 7.710 4.242 -0.658 1.00 0.00 O ATOM 1153 CB GLU A 71 7.532 6.755 -2.389 1.00 0.00 C ATOM 1154 CG GLU A 71 7.355 8.226 -2.739 1.00 0.00 C ATOM 1155 CD GLU A 71 8.482 8.722 -3.603 1.00 0.00 C ATOM 1156 OE1 GLU A 71 9.385 7.963 -3.860 1.00 0.00 O ATOM 1157 OE2 GLU A 71 8.386 9.821 -4.096 1.00 0.00 O ATOM 0 H GLU A 71 7.723 6.919 0.260 1.00 0.00 H new ATOM 0 HA GLU A 71 5.535 6.445 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.549 6.599 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.421 6.162 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.407 8.367 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.308 8.817 -1.824 1.00 0.00 H new ATOM 1164 N ILE A 72 5.695 3.983 -1.627 1.00 0.00 N ATOM 1165 CA ILE A 72 5.647 2.543 -1.405 1.00 0.00 C ATOM 1166 C ILE A 72 5.721 1.781 -2.723 1.00 0.00 C ATOM 1167 O ILE A 72 4.918 2.005 -3.630 1.00 0.00 O ATOM 1168 CB ILE A 72 4.368 2.129 -0.653 1.00 0.00 C ATOM 1169 CG1 ILE A 72 4.300 2.825 0.708 1.00 0.00 C ATOM 1170 CG2 ILE A 72 4.316 0.619 -0.486 1.00 0.00 C ATOM 1171 CD1 ILE A 72 3.047 2.512 1.492 1.00 0.00 C ATOM 0 H ILE A 72 4.901 4.356 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 72 6.513 2.290 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 72 3.504 2.439 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.169 2.534 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.364 3.903 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.406 0.343 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.320 0.144 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.185 0.286 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.072 3.042 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.173 2.829 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.991 1.439 1.675 1.00 0.00 H new ATOM 1183 N VAL A 73 6.689 0.876 -2.822 1.00 0.00 N ATOM 1184 CA VAL A 73 6.819 0.022 -3.998 1.00 0.00 C ATOM 1185 C VAL A 73 6.124 -1.318 -3.781 1.00 0.00 C ATOM 1186 O VAL A 73 6.354 -1.995 -2.780 1.00 0.00 O ATOM 1187 CB VAL A 73 8.297 -0.228 -4.354 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.405 -1.135 -5.572 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.014 1.089 -4.608 1.00 0.00 C ATOM 0 H VAL A 73 7.394 0.715 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 73 6.341 0.547 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 73 8.775 -0.724 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.456 -1.301 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.926 -2.090 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.911 -0.664 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.057 0.893 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.534 1.611 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.966 1.708 -3.712 1.00 0.00 H new ATOM 1199 N VAL A 74 5.272 -1.696 -4.730 1.00 0.00 N ATOM 1200 CA VAL A 74 4.399 -2.851 -4.557 1.00 0.00 C ATOM 1201 C VAL A 74 4.725 -3.942 -5.572 1.00 0.00 C ATOM 1202 O VAL A 74 4.921 -3.666 -6.756 1.00 0.00 O ATOM 1203 CB VAL A 74 2.915 -2.464 -4.693 1.00 0.00 C ATOM 1204 CG1 VAL A 74 2.027 -3.685 -4.512 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.550 -1.387 -3.683 1.00 0.00 C ATOM 0 H VAL A 74 5.168 -1.219 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 74 4.574 -3.230 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 74 2.754 -2.066 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.982 -3.393 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.270 -4.427 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.192 -4.111 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.498 -1.126 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.727 -1.759 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.163 -0.503 -3.856 1.00 0.00 H new ATOM 1215 N PHE A 75 4.782 -5.184 -5.098 1.00 0.00 N ATOM 1216 CA PHE A 75 5.191 -6.303 -5.939 1.00 0.00 C ATOM 1217 C PHE A 75 3.999 -7.195 -6.273 1.00 0.00 C ATOM 1218 O PHE A 75 3.185 -7.514 -5.406 1.00 0.00 O ATOM 1219 CB PHE A 75 6.286 -7.119 -5.250 1.00 0.00 C ATOM 1220 CG PHE A 75 6.718 -8.331 -6.026 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.571 -8.208 -7.112 1.00 0.00 C ATOM 1222 CD2 PHE A 75 6.272 -9.595 -5.672 1.00 0.00 C ATOM 1223 CE1 PHE A 75 7.970 -9.321 -7.828 1.00 0.00 C ATOM 1224 CE2 PHE A 75 6.669 -10.710 -6.384 1.00 0.00 C ATOM 1225 CZ PHE A 75 7.519 -10.572 -7.463 1.00 0.00 C ATOM 0 H PHE A 75 4.550 -5.440 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 75 5.589 -5.899 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.152 -6.479 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.928 -7.435 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.928 -7.231 -7.402 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.606 -9.709 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.634 -9.211 -8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.315 -11.689 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.830 -11.443 -8.021 1.00 0.00 H new ATOM 1235 N LEU A 76 3.902 -7.594 -7.537 1.00 0.00 N ATOM 1236 CA LEU A 76 2.754 -8.356 -8.013 1.00 0.00 C ATOM 1237 C LEU A 76 3.105 -9.833 -8.162 1.00 0.00 C ATOM 1238 O LEU A 76 4.128 -10.184 -8.747 1.00 0.00 O ATOM 1239 CB LEU A 76 2.255 -7.789 -9.349 1.00 0.00 C ATOM 1240 CG LEU A 76 1.747 -6.343 -9.293 1.00 0.00 C ATOM 1241 CD1 LEU A 76 1.303 -5.892 -10.678 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.597 -6.245 -8.300 1.00 0.00 C ATOM 0 H LEU A 76 4.605 -7.402 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 76 1.957 -8.268 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.066 -7.845 -10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.451 -8.426 -9.719 1.00 0.00 H new ATOM 0 HG LEU A 76 2.553 -5.688 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.944 -4.864 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.146 -5.949 -11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.501 -6.540 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.237 -5.217 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.213 -6.902 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.943 -6.546 -7.311 1.00 0.00 H new ATOM 1254 N LYS A 77 2.246 -10.697 -7.629 1.00 0.00 N ATOM 1255 CA LYS A 77 2.343 -12.129 -7.882 1.00 0.00 C ATOM 1256 C LYS A 77 2.009 -12.448 -9.337 1.00 0.00 C ATOM 1257 O LYS A 77 1.035 -11.934 -9.886 1.00 0.00 O ATOM 1258 CB LYS A 77 1.418 -12.906 -6.946 1.00 0.00 C ATOM 1259 CG LYS A 77 1.533 -14.419 -7.058 1.00 0.00 C ATOM 1260 CD LYS A 77 0.716 -15.119 -5.982 1.00 0.00 C ATOM 1261 CE LYS A 77 0.886 -16.630 -6.051 1.00 0.00 C ATOM 1262 NZ LYS A 77 0.130 -17.324 -4.974 1.00 0.00 N ATOM 0 H LYS A 77 1.474 -10.429 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 77 3.371 -12.435 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.633 -12.613 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.387 -12.616 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.192 -14.739 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.579 -14.713 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.023 -14.761 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.337 -14.864 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.546 -16.989 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.944 -16.880 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.272 -18.351 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.471 -17.000 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.883 -17.106 -5.065 1.00 0.00 H new ATOM 1276 N SER A 78 2.823 -13.298 -9.953 1.00 0.00 N ATOM 1277 CA SER A 78 2.744 -13.524 -11.391 1.00 0.00 C ATOM 1278 C SER A 78 1.604 -14.477 -11.731 1.00 0.00 C ATOM 1279 O SER A 78 1.018 -15.103 -10.846 1.00 0.00 O ATOM 1280 CB SER A 78 4.063 -14.067 -11.909 1.00 0.00 C ATOM 1281 OG SER A 78 4.324 -15.357 -11.428 1.00 0.00 O ATOM 0 H SER A 78 3.545 -13.841 -9.479 1.00 0.00 H new ATOM 0 HA SER A 78 2.542 -12.570 -11.877 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.046 -14.083 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.872 -13.399 -11.613 1.00 0.00 H new ATOM 0 HG SER A 78 5.180 -15.672 -11.785 1.00 0.00 H new ATOM 1287 N ILE A 79 1.293 -14.583 -13.019 1.00 0.00 N ATOM 1288 CA ILE A 79 0.184 -15.415 -13.471 1.00 0.00 C ATOM 1289 C ILE A 79 -1.045 -15.220 -12.587 1.00 0.00 C ATOM 1290 O ILE A 79 -1.698 -16.186 -12.194 1.00 0.00 O ATOM 1291 CB ILE A 79 0.566 -16.906 -13.485 1.00 0.00 C ATOM 1292 CG1 ILE A 79 1.815 -17.129 -14.342 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -0.592 -17.747 -13.999 1.00 0.00 C ATOM 1294 CD1 ILE A 79 2.303 -18.560 -14.348 1.00 0.00 C ATOM 0 H ILE A 79 1.793 -14.103 -13.768 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.051 -15.102 -14.488 1.00 0.00 H new ATOM 0 HB ILE A 79 0.789 -17.216 -12.464 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.601 -16.824 -15.366 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.614 -16.484 -13.978 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.305 -18.798 -14.002 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.457 -17.609 -13.351 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.845 -17.437 -15.013 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.190 -18.639 -14.976 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.550 -18.864 -13.331 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.521 -19.209 -14.741 1.00 0.00 H new ATOM 1306 N ASN A 80 -1.355 -13.965 -12.282 1.00 0.00 N ATOM 1307 CA ASN A 80 -2.544 -13.638 -11.505 1.00 0.00 C ATOM 1308 C ASN A 80 -3.771 -13.530 -12.404 1.00 0.00 C ATOM 1309 O ASN A 80 -3.695 -13.786 -13.607 1.00 0.00 O ATOM 1310 CB ASN A 80 -2.356 -12.356 -10.713 1.00 0.00 C ATOM 1311 CG ASN A 80 -2.074 -11.152 -11.569 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -2.788 -10.874 -12.538 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -0.991 -10.484 -11.265 1.00 0.00 N ATOM 0 H ASN A 80 -0.799 -13.157 -12.561 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.703 -14.451 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.253 -12.169 -10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.534 -12.491 -10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.702 -9.693 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.436 -10.755 -10.453 1.00 0.00 H new ATOM 1320 N ARG A 81 -4.898 -13.149 -11.816 1.00 0.00 N ATOM 1321 CA ARG A 81 -6.147 -13.029 -12.561 1.00 0.00 C ATOM 1322 C ARG A 81 -7.019 -11.918 -11.983 1.00 0.00 C ATOM 1323 O ARG A 81 -7.254 -11.862 -10.776 1.00 0.00 O ATOM 1324 CB ARG A 81 -6.899 -14.350 -12.639 1.00 0.00 C ATOM 1325 CG ARG A 81 -8.128 -14.333 -13.533 1.00 0.00 C ATOM 1326 CD ARG A 81 -8.823 -15.642 -13.643 1.00 0.00 C ATOM 1327 NE ARG A 81 -10.073 -15.600 -14.385 1.00 0.00 N ATOM 1328 CZ ARG A 81 -10.745 -16.686 -14.814 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -10.275 -17.897 -14.610 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -11.879 -16.502 -15.465 1.00 0.00 N ATOM 0 H ARG A 81 -4.974 -12.918 -10.826 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.891 -12.758 -13.585 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.216 -15.120 -12.999 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.203 -14.639 -11.633 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.831 -13.593 -13.150 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.833 -14.007 -14.530 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.154 -16.355 -14.124 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.023 -16.018 -12.640 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.469 -14.684 -14.595 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.389 -18.025 -14.121 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.796 -18.709 -14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.224 -15.557 -15.631 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.410 -17.305 -15.802 1.00 0.00 H new ATOM 1344 N ALA A 82 -7.496 -11.034 -12.855 1.00 0.00 N ATOM 1345 CA ALA A 82 -8.343 -9.926 -12.433 1.00 0.00 C ATOM 1346 C ALA A 82 -9.180 -9.403 -13.595 1.00 0.00 C ATOM 1347 O ALA A 82 -8.855 -9.628 -14.761 1.00 0.00 O ATOM 1348 CB ALA A 82 -7.494 -8.807 -11.846 1.00 0.00 C ATOM 0 H ALA A 82 -7.310 -11.065 -13.857 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.024 -10.292 -11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.139 -7.986 -11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.943 -9.182 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.791 -8.451 -12.599 1.00 0.00 H new ATOM 1354 N LYS A 83 -10.262 -8.701 -13.269 1.00 0.00 N ATOM 1355 CA LYS A 83 -11.156 -8.159 -14.285 1.00 0.00 C ATOM 1356 C LYS A 83 -10.821 -6.700 -14.581 1.00 0.00 C ATOM 1357 O LYS A 83 -10.109 -6.050 -13.816 1.00 0.00 O ATOM 1358 CB LYS A 83 -12.614 -8.287 -13.842 1.00 0.00 C ATOM 1359 CG LYS A 83 -13.094 -9.721 -13.665 1.00 0.00 C ATOM 1360 CD LYS A 83 -14.570 -9.770 -13.300 1.00 0.00 C ATOM 1361 CE LYS A 83 -15.059 -11.203 -13.157 1.00 0.00 C ATOM 1362 NZ LYS A 83 -16.508 -11.267 -12.821 1.00 0.00 N ATOM 0 H LYS A 83 -10.540 -8.495 -12.309 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.017 -8.736 -15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.743 -7.755 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.249 -7.792 -14.577 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.927 -10.279 -14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.508 -10.209 -12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.733 -9.233 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.153 -9.260 -14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.878 -11.742 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.484 -11.706 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.800 -12.261 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.678 -10.775 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.060 -10.810 -13.575 1.00 0.00 H new ATOM 1376 N ASP A 84 -11.342 -6.191 -15.691 1.00 0.00 N ATOM 1377 CA ASP A 84 -11.084 -4.815 -16.097 1.00 0.00 C ATOM 1378 C ASP A 84 -12.006 -3.849 -15.360 1.00 0.00 C ATOM 1379 O ASP A 84 -12.948 -3.337 -15.962 1.00 0.00 O ATOM 1380 CB ASP A 84 -11.258 -4.659 -17.611 1.00 0.00 C ATOM 1381 CG ASP A 84 -10.905 -3.277 -18.144 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -10.596 -2.417 -17.354 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -10.793 -3.135 -19.338 1.00 0.00 O ATOM 1384 OXT ASP A 84 -11.808 -3.596 -14.203 1.00 0.00 O ATOM 0 H ASP A 84 -11.946 -6.711 -16.327 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.053 -4.575 -15.836 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.636 -5.399 -18.114 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.293 -4.882 -17.871 1.00 0.00 H new TER 1389 ASP A 84