USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 158:sc= 0.431 (180deg=0.162) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0169 (180deg=-0.269) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.085 (180deg=-0.521) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -85:sc= 0.857 USER MOD Single : A 18 ASN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 22 MET CE :methyl 162:sc= -0.546 (180deg=-1.6) USER MOD Single : A 24 SER OG : rot 80:sc= 0.0119 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 165:sc= 1.02 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.781 K(o=-0.78,f=-1.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -174:sc= 0 (180deg=-0.0323) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 0.345 (180deg=0.113) USER MOD Single : B 7 LYS NZ :NH3+ 165:sc= -0.0158 (180deg=-0.259) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 14 LYS NZ :NH3+ -163:sc= -0.04 (180deg=-0.345) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -68:sc= 0.793 USER MOD Single : B 18 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : B 22 MET CE :methyl 163:sc= -0.501 (180deg=-1.58) USER MOD Single : B 24 SER OG : rot 78:sc= 0.00151 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 159:sc= 0.911 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.69) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.142 -3.359 24.212 1.00 0.00 N ATOM 2 CA PHE A 1 94.693 -4.090 25.430 1.00 0.00 C ATOM 3 C PHE A 1 94.204 -3.084 26.481 1.00 0.00 C ATOM 4 O PHE A 1 93.023 -2.809 26.596 1.00 0.00 O ATOM 5 CB PHE A 1 95.860 -4.893 26.017 1.00 0.00 C ATOM 6 CG PHE A 1 96.109 -6.135 25.200 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.894 -6.070 24.044 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.555 -7.356 25.604 1.00 0.00 C ATOM 9 CE1 PHE A 1 97.127 -7.227 23.291 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.786 -8.515 24.850 1.00 0.00 C ATOM 11 CZ PHE A 1 96.571 -8.453 23.695 1.00 0.00 C ATOM 0 H1 PHE A 1 95.796 -3.958 23.669 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.317 -3.126 23.623 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.626 -2.482 24.492 1.00 0.00 H new ATOM 0 HA PHE A 1 93.884 -4.767 25.158 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.759 -4.277 26.037 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.638 -5.167 27.048 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.320 -5.128 23.733 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.949 -7.405 26.497 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.734 -7.177 22.399 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.357 -9.456 25.162 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.750 -9.346 23.114 1.00 0.00 H new ATOM 23 N LEU A 2 95.107 -2.551 27.259 1.00 0.00 N ATOM 24 CA LEU A 2 94.716 -1.581 28.314 1.00 0.00 C ATOM 25 C LEU A 2 94.029 -0.367 27.684 1.00 0.00 C ATOM 26 O LEU A 2 93.064 0.152 28.211 1.00 0.00 O ATOM 27 CB LEU A 2 95.974 -1.116 29.062 1.00 0.00 C ATOM 28 CG LEU A 2 96.665 -2.312 29.734 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.025 -1.866 30.273 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.805 -2.848 30.892 1.00 0.00 C ATOM 0 H LEU A 2 96.106 -2.750 27.206 1.00 0.00 H new ATOM 0 HA LEU A 2 94.026 -2.064 29.006 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.661 -0.633 28.367 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.705 -0.373 29.813 1.00 0.00 H new ATOM 0 HG LEU A 2 96.797 -3.106 28.999 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.521 -2.710 30.752 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.641 -1.502 29.451 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.884 -1.068 31.002 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.309 -3.695 31.357 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.660 -2.061 31.632 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.836 -3.168 30.508 1.00 0.00 H new ATOM 42 N ASP A 3 94.516 0.093 26.571 1.00 0.00 N ATOM 43 CA ASP A 3 93.890 1.281 25.928 1.00 0.00 C ATOM 44 C ASP A 3 92.465 0.960 25.492 1.00 0.00 C ATOM 45 O ASP A 3 91.573 1.768 25.638 1.00 0.00 O ATOM 46 CB ASP A 3 94.706 1.674 24.698 1.00 0.00 C ATOM 47 CG ASP A 3 96.041 2.281 25.134 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.084 2.846 26.211 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.997 2.167 24.382 1.00 0.00 O ATOM 0 H ASP A 3 95.318 -0.299 26.078 1.00 0.00 H new ATOM 0 HA ASP A 3 93.868 2.100 26.647 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.881 0.799 24.072 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.149 2.391 24.095 1.00 0.00 H new ATOM 54 N GLY A 4 92.244 -0.208 24.966 1.00 0.00 N ATOM 55 CA GLY A 4 90.867 -0.569 24.522 1.00 0.00 C ATOM 56 C GLY A 4 89.936 -0.505 25.724 1.00 0.00 C ATOM 57 O GLY A 4 88.805 -0.070 25.629 1.00 0.00 O ATOM 0 H GLY A 4 92.952 -0.928 24.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.529 0.116 23.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.859 -1.570 24.090 1.00 0.00 H new ATOM 61 N ILE A 5 90.410 -0.941 26.857 1.00 0.00 N ATOM 62 CA ILE A 5 89.568 -0.911 28.083 1.00 0.00 C ATOM 63 C ILE A 5 89.239 0.539 28.459 1.00 0.00 C ATOM 64 O ILE A 5 88.140 0.846 28.876 1.00 0.00 O ATOM 65 CB ILE A 5 90.325 -1.606 29.220 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.379 -3.112 28.921 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.608 -1.370 30.551 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.332 -3.802 29.892 1.00 0.00 C ATOM 0 H ILE A 5 91.349 -1.318 26.986 1.00 0.00 H new ATOM 0 HA ILE A 5 88.629 -1.435 27.902 1.00 0.00 H new ATOM 0 HB ILE A 5 91.334 -1.201 29.293 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.382 -3.544 29.008 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.710 -3.276 27.895 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.154 -1.868 31.352 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.561 -0.300 30.754 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.597 -1.773 30.496 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.365 -4.869 29.673 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.331 -3.379 29.784 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.983 -3.651 30.913 1.00 0.00 H new ATOM 80 N ASP A 6 90.178 1.431 28.318 1.00 0.00 N ATOM 81 CA ASP A 6 89.908 2.852 28.682 1.00 0.00 C ATOM 82 C ASP A 6 88.760 3.410 27.836 1.00 0.00 C ATOM 83 O ASP A 6 87.828 3.996 28.350 1.00 0.00 O ATOM 84 CB ASP A 6 91.163 3.690 28.418 1.00 0.00 C ATOM 85 CG ASP A 6 90.869 5.152 28.736 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.043 5.533 29.880 1.00 0.00 O ATOM 87 OD2 ASP A 6 90.478 5.869 27.828 1.00 0.00 O ATOM 0 H ASP A 6 91.117 1.241 27.968 1.00 0.00 H new ATOM 0 HA ASP A 6 89.635 2.897 29.736 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.989 3.331 29.032 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.471 3.587 27.377 1.00 0.00 H new ATOM 92 N LYS A 7 88.814 3.239 26.546 1.00 0.00 N ATOM 93 CA LYS A 7 87.716 3.778 25.691 1.00 0.00 C ATOM 94 C LYS A 7 86.445 2.978 25.952 1.00 0.00 C ATOM 95 O LYS A 7 85.358 3.515 26.027 1.00 0.00 O ATOM 96 CB LYS A 7 88.100 3.648 24.219 1.00 0.00 C ATOM 97 CG LYS A 7 89.298 4.554 23.916 1.00 0.00 C ATOM 98 CD LYS A 7 89.674 4.419 22.444 1.00 0.00 C ATOM 99 CE LYS A 7 90.867 5.318 22.135 1.00 0.00 C ATOM 100 NZ LYS A 7 92.083 4.793 22.813 1.00 0.00 N ATOM 0 H LYS A 7 89.561 2.755 26.048 1.00 0.00 H new ATOM 0 HA LYS A 7 87.550 4.829 25.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.348 2.612 23.988 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.255 3.922 23.587 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.052 5.591 24.147 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.144 4.280 24.546 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.919 3.382 22.215 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.827 4.693 21.815 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.031 5.363 21.058 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.664 6.335 22.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.929 5.231 22.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.040 5.019 23.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.131 3.761 22.690 1.00 0.00 H new ATOM 114 N ALA A 8 86.582 1.694 26.098 1.00 0.00 N ATOM 115 CA ALA A 8 85.394 0.833 26.360 1.00 0.00 C ATOM 116 C ALA A 8 84.845 1.099 27.765 1.00 0.00 C ATOM 117 O ALA A 8 83.654 1.013 27.996 1.00 0.00 O ATOM 118 CB ALA A 8 85.806 -0.633 26.231 1.00 0.00 C ATOM 0 H ALA A 8 87.471 1.197 26.047 1.00 0.00 H new ATOM 0 HA ALA A 8 84.613 1.062 25.635 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.943 -1.271 26.421 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.180 -0.819 25.224 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.589 -0.856 26.956 1.00 0.00 H new ATOM 124 N GLN A 9 85.701 1.405 28.708 1.00 0.00 N ATOM 125 CA GLN A 9 85.217 1.654 30.096 1.00 0.00 C ATOM 126 C GLN A 9 84.310 2.895 30.115 1.00 0.00 C ATOM 127 O GLN A 9 84.621 3.917 29.539 1.00 0.00 O ATOM 128 CB GLN A 9 86.414 1.862 31.039 1.00 0.00 C ATOM 129 CG GLN A 9 85.904 2.101 32.464 1.00 0.00 C ATOM 130 CD GLN A 9 87.090 2.227 33.425 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.218 1.960 33.060 1.00 0.00 O ATOM 132 NE2 GLN A 9 86.876 2.643 34.647 1.00 0.00 N ATOM 0 H GLN A 9 86.709 1.492 28.576 1.00 0.00 H new ATOM 0 HA GLN A 9 84.646 0.790 30.436 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.065 0.988 31.016 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.009 2.712 30.707 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.300 3.008 32.497 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.260 1.278 32.773 1.00 0.00 H new ATOM 0 HE21 GLN A 9 85.928 2.867 34.951 1.00 0.00 H new ATOM 0 HE22 GLN A 9 87.657 2.744 35.296 1.00 0.00 H new ATOM 141 N GLU A 10 83.180 2.801 30.774 1.00 0.00 N ATOM 142 CA GLU A 10 82.234 3.963 30.839 1.00 0.00 C ATOM 143 C GLU A 10 81.535 3.966 32.205 1.00 0.00 C ATOM 144 O GLU A 10 81.954 3.294 33.128 1.00 0.00 O ATOM 145 CB GLU A 10 81.169 3.820 29.742 1.00 0.00 C ATOM 146 CG GLU A 10 81.791 4.037 28.358 1.00 0.00 C ATOM 147 CD GLU A 10 82.302 5.470 28.234 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.642 6.359 28.747 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.346 5.650 27.632 1.00 0.00 O ATOM 0 H GLU A 10 82.870 1.967 31.272 1.00 0.00 H new ATOM 0 HA GLU A 10 82.789 4.890 30.697 1.00 0.00 H new ATOM 0 HB2 GLU A 10 80.717 2.829 29.793 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.370 4.544 29.906 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.611 3.335 28.205 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.051 3.838 27.583 1.00 0.00 H new ATOM 156 N GLU A 11 80.467 4.712 32.340 1.00 0.00 N ATOM 157 CA GLU A 11 79.733 4.747 33.646 1.00 0.00 C ATOM 158 C GLU A 11 78.887 3.478 33.777 1.00 0.00 C ATOM 159 O GLU A 11 78.500 2.882 32.792 1.00 0.00 O ATOM 160 CB GLU A 11 78.813 5.975 33.697 1.00 0.00 C ATOM 161 CG GLU A 11 79.645 7.259 33.596 1.00 0.00 C ATOM 162 CD GLU A 11 80.474 7.443 34.869 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.887 7.739 35.897 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.682 7.294 34.791 1.00 0.00 O ATOM 0 H GLU A 11 80.071 5.298 31.605 1.00 0.00 H new ATOM 0 HA GLU A 11 80.452 4.804 34.463 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.092 5.934 32.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.243 5.974 34.626 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.302 7.210 32.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.989 8.117 33.451 1.00 0.00 H new ATOM 171 N HIS A 12 78.607 3.055 34.980 1.00 0.00 N ATOM 172 CA HIS A 12 77.794 1.816 35.167 1.00 0.00 C ATOM 173 C HIS A 12 76.347 2.090 34.766 1.00 0.00 C ATOM 174 O HIS A 12 75.463 2.143 35.598 1.00 0.00 O ATOM 175 CB HIS A 12 77.847 1.400 36.639 1.00 0.00 C ATOM 176 CG HIS A 12 77.038 0.148 36.849 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.552 -1.117 36.602 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.754 -0.048 37.301 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.591 -2.014 36.906 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.479 -1.410 37.335 1.00 0.00 N ATOM 0 H HIS A 12 78.905 3.512 35.842 1.00 0.00 H new ATOM 0 HA HIS A 12 78.195 1.016 34.544 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.881 1.230 36.940 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.460 2.203 37.267 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.066 0.735 37.585 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.706 -3.084 36.814 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.609 -1.856 37.627 1.00 0.00 H new ATOM 188 N GLU A 13 76.101 2.262 33.489 1.00 0.00 N ATOM 189 CA GLU A 13 74.712 2.532 33.005 1.00 0.00 C ATOM 190 C GLU A 13 74.119 1.240 32.412 1.00 0.00 C ATOM 191 O GLU A 13 74.467 0.148 32.811 1.00 0.00 O ATOM 192 CB GLU A 13 74.767 3.642 31.942 1.00 0.00 C ATOM 193 CG GLU A 13 73.451 4.436 31.919 1.00 0.00 C ATOM 194 CD GLU A 13 73.429 5.435 33.081 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.077 6.464 32.967 1.00 0.00 O ATOM 196 OE2 GLU A 13 72.755 5.161 34.060 1.00 0.00 O ATOM 0 H GLU A 13 76.810 2.226 32.756 1.00 0.00 H new ATOM 0 HA GLU A 13 74.077 2.858 33.829 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.599 4.314 32.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.951 3.204 30.961 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.351 4.964 30.971 1.00 0.00 H new ATOM 0 HG3 GLU A 13 72.603 3.755 31.996 1.00 0.00 H new ATOM 203 N LYS A 14 73.228 1.359 31.462 1.00 0.00 N ATOM 204 CA LYS A 14 72.615 0.147 30.841 1.00 0.00 C ATOM 205 C LYS A 14 73.647 -0.599 29.985 1.00 0.00 C ATOM 206 O LYS A 14 73.584 -1.803 29.823 1.00 0.00 O ATOM 207 CB LYS A 14 71.430 0.575 29.973 1.00 0.00 C ATOM 208 CG LYS A 14 70.290 1.066 30.870 1.00 0.00 C ATOM 209 CD LYS A 14 69.095 1.498 30.013 1.00 0.00 C ATOM 210 CE LYS A 14 67.964 1.984 30.928 1.00 0.00 C ATOM 211 NZ LYS A 14 67.482 0.858 31.775 1.00 0.00 N ATOM 0 H LYS A 14 72.897 2.248 31.088 1.00 0.00 H new ATOM 0 HA LYS A 14 72.273 -0.525 31.628 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.734 1.366 29.288 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.092 -0.262 29.363 1.00 0.00 H new ATOM 0 HG2 LYS A 14 69.989 0.274 31.555 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.631 1.902 31.480 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.392 2.293 29.329 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.751 0.664 29.402 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.319 2.799 31.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.143 2.378 30.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.530 1.076 32.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.448 -0.013 31.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.131 0.724 32.577 1.00 0.00 H new ATOM 225 N TYR A 15 74.588 0.105 29.418 1.00 0.00 N ATOM 226 CA TYR A 15 75.611 -0.566 28.557 1.00 0.00 C ATOM 227 C TYR A 15 76.384 -1.603 29.376 1.00 0.00 C ATOM 228 O TYR A 15 76.715 -2.664 28.886 1.00 0.00 O ATOM 229 CB TYR A 15 76.578 0.475 27.984 1.00 0.00 C ATOM 230 CG TYR A 15 75.920 1.179 26.822 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.059 2.256 27.054 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.159 0.744 25.518 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.436 2.902 25.979 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.540 1.388 24.440 1.00 0.00 C ATOM 235 CZ TYR A 15 74.675 2.470 24.669 1.00 0.00 C ATOM 236 OH TYR A 15 74.060 3.108 23.608 1.00 0.00 O ATOM 0 H TYR A 15 74.695 1.115 29.512 1.00 0.00 H new ATOM 0 HA TYR A 15 75.105 -1.070 27.733 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.852 1.197 28.754 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.499 -0.008 27.658 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.874 2.590 28.064 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.822 -0.090 25.340 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.771 3.733 26.161 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.728 1.052 23.431 1.00 0.00 H new ATOM 0 HH TYR A 15 74.335 2.684 22.768 1.00 0.00 H new ATOM 246 N HIS A 16 76.682 -1.314 30.608 1.00 0.00 N ATOM 247 CA HIS A 16 77.438 -2.299 31.435 1.00 0.00 C ATOM 248 C HIS A 16 76.635 -3.600 31.536 1.00 0.00 C ATOM 249 O HIS A 16 77.184 -4.682 31.467 1.00 0.00 O ATOM 250 CB HIS A 16 77.666 -1.719 32.836 1.00 0.00 C ATOM 251 CG HIS A 16 78.892 -0.844 32.843 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.713 -0.728 33.959 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.459 -0.049 31.874 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.720 0.107 33.636 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.610 0.547 32.378 1.00 0.00 N ATOM 0 H HIS A 16 76.438 -0.443 31.080 1.00 0.00 H new ATOM 0 HA HIS A 16 78.402 -2.506 30.970 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.795 -1.140 33.144 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.783 -2.527 33.558 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.070 0.091 30.876 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.517 0.386 34.309 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.238 1.186 31.890 1.00 0.00 H new ATOM 263 N SER A 17 75.348 -3.509 31.689 1.00 0.00 N ATOM 264 CA SER A 17 74.530 -4.748 31.773 1.00 0.00 C ATOM 265 C SER A 17 74.682 -5.513 30.457 1.00 0.00 C ATOM 266 O SER A 17 74.851 -6.712 30.442 1.00 0.00 O ATOM 267 CB SER A 17 73.063 -4.374 31.986 1.00 0.00 C ATOM 268 OG SER A 17 72.556 -3.784 30.796 1.00 0.00 O ATOM 0 H SER A 17 74.827 -2.635 31.759 1.00 0.00 H new ATOM 0 HA SER A 17 74.862 -5.367 32.606 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.483 -5.260 32.243 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.969 -3.678 32.820 1.00 0.00 H new ATOM 0 HG SER A 17 72.772 -2.828 30.787 1.00 0.00 H new ATOM 274 N ASN A 18 74.649 -4.816 29.353 1.00 0.00 N ATOM 275 CA ASN A 18 74.819 -5.476 28.027 1.00 0.00 C ATOM 276 C ASN A 18 76.282 -5.355 27.602 1.00 0.00 C ATOM 277 O ASN A 18 76.646 -4.467 26.855 1.00 0.00 O ATOM 278 CB ASN A 18 73.933 -4.768 26.996 1.00 0.00 C ATOM 279 CG ASN A 18 72.462 -4.892 27.395 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.733 -3.919 27.384 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.988 -6.054 27.744 1.00 0.00 N ATOM 0 H ASN A 18 74.510 -3.806 29.314 1.00 0.00 H new ATOM 0 HA ASN A 18 74.536 -6.527 28.093 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.212 -3.717 26.926 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.089 -5.205 26.010 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.007 -6.146 28.007 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.598 -6.872 27.754 1.00 0.00 H new ATOM 288 N TRP A 19 77.125 -6.235 28.064 1.00 0.00 N ATOM 289 CA TRP A 19 78.561 -6.152 27.677 1.00 0.00 C ATOM 290 C TRP A 19 78.705 -6.520 26.194 1.00 0.00 C ATOM 291 O TRP A 19 79.642 -6.120 25.530 1.00 0.00 O ATOM 292 CB TRP A 19 79.399 -7.100 28.540 1.00 0.00 C ATOM 293 CG TRP A 19 78.948 -8.510 28.340 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.090 -9.169 29.152 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.309 -9.445 27.278 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.915 -10.452 28.666 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.639 -10.668 27.510 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.148 -9.353 26.149 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.788 -11.763 26.658 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.301 -10.453 25.286 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.622 -11.659 25.541 1.00 0.00 C ATOM 0 H TRP A 19 76.884 -7.004 28.689 1.00 0.00 H new ATOM 0 HA TRP A 19 78.920 -5.135 27.836 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.453 -7.007 28.278 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.306 -6.826 29.591 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.619 -8.761 30.034 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.322 -11.154 29.108 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.676 -8.433 25.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.263 -12.685 26.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.944 -10.372 24.422 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.745 -12.501 24.876 1.00 0.00 H new ATOM 312 N ARG A 20 77.786 -7.288 25.671 1.00 0.00 N ATOM 313 CA ARG A 20 77.874 -7.686 24.235 1.00 0.00 C ATOM 314 C ARG A 20 77.834 -6.444 23.342 1.00 0.00 C ATOM 315 O ARG A 20 78.552 -6.355 22.361 1.00 0.00 O ATOM 316 CB ARG A 20 76.694 -8.595 23.883 1.00 0.00 C ATOM 317 CG ARG A 20 76.864 -9.954 24.565 1.00 0.00 C ATOM 318 CD ARG A 20 75.635 -10.821 24.277 1.00 0.00 C ATOM 319 NE ARG A 20 75.404 -10.879 22.805 1.00 0.00 N ATOM 320 CZ ARG A 20 74.599 -11.777 22.296 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.964 -12.605 23.076 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.421 -11.832 21.005 1.00 0.00 N ATOM 0 H ARG A 20 76.979 -7.656 26.175 1.00 0.00 H new ATOM 0 HA ARG A 20 78.812 -8.217 24.072 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.760 -8.133 24.201 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.633 -8.725 22.803 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.765 -10.447 24.200 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.986 -9.822 25.640 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.784 -11.826 24.673 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.759 -10.408 24.778 1.00 0.00 H new ATOM 0 HE ARG A 20 75.876 -10.215 22.191 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.093 -12.555 24.087 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.337 -13.304 22.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.909 -11.176 20.395 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.794 -12.531 20.606 1.00 0.00 H new ATOM 336 N ALA A 21 77.014 -5.483 23.666 1.00 0.00 N ATOM 337 CA ALA A 21 76.957 -4.257 22.825 1.00 0.00 C ATOM 338 C ALA A 21 78.334 -3.587 22.822 1.00 0.00 C ATOM 339 O ALA A 21 78.812 -3.110 21.808 1.00 0.00 O ATOM 340 CB ALA A 21 75.917 -3.286 23.389 1.00 0.00 C ATOM 0 H ALA A 21 76.386 -5.493 24.470 1.00 0.00 H new ATOM 0 HA ALA A 21 76.675 -4.528 21.807 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.881 -2.391 22.768 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.938 -3.764 23.394 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.191 -3.011 24.407 1.00 0.00 H new ATOM 346 N MET A 22 78.977 -3.554 23.953 1.00 0.00 N ATOM 347 CA MET A 22 80.327 -2.923 24.030 1.00 0.00 C ATOM 348 C MET A 22 81.311 -3.719 23.174 1.00 0.00 C ATOM 349 O MET A 22 82.142 -3.165 22.482 1.00 0.00 O ATOM 350 CB MET A 22 80.799 -2.924 25.485 1.00 0.00 C ATOM 351 CG MET A 22 82.153 -2.226 25.599 1.00 0.00 C ATOM 352 SD MET A 22 82.505 -1.871 27.341 1.00 0.00 S ATOM 353 CE MET A 22 82.309 -3.552 27.980 1.00 0.00 C ATOM 0 H MET A 22 78.627 -3.937 24.831 1.00 0.00 H new ATOM 0 HA MET A 22 80.275 -1.898 23.662 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.066 -2.418 26.113 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.878 -3.948 25.849 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.936 -2.858 25.180 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.147 -1.301 25.022 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.784 -3.627 28.958 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.248 -3.784 28.073 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.776 -4.259 27.294 1.00 0.00 H new ATOM 363 N ALA A 23 81.223 -5.018 23.213 1.00 0.00 N ATOM 364 CA ALA A 23 82.155 -5.849 22.393 1.00 0.00 C ATOM 365 C ALA A 23 81.881 -5.591 20.905 1.00 0.00 C ATOM 366 O ALA A 23 82.787 -5.469 20.100 1.00 0.00 O ATOM 367 CB ALA A 23 81.923 -7.331 22.708 1.00 0.00 C ATOM 0 H ALA A 23 80.550 -5.541 23.773 1.00 0.00 H new ATOM 0 HA ALA A 23 83.187 -5.587 22.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.602 -7.940 22.111 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.109 -7.511 23.767 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.893 -7.597 22.470 1.00 0.00 H new ATOM 373 N SER A 24 80.633 -5.515 20.541 1.00 0.00 N ATOM 374 CA SER A 24 80.274 -5.277 19.113 1.00 0.00 C ATOM 375 C SER A 24 80.667 -3.857 18.689 1.00 0.00 C ATOM 376 O SER A 24 81.135 -3.628 17.587 1.00 0.00 O ATOM 377 CB SER A 24 78.764 -5.447 18.942 1.00 0.00 C ATOM 378 OG SER A 24 78.420 -6.814 19.153 1.00 0.00 O ATOM 0 H SER A 24 79.839 -5.608 21.175 1.00 0.00 H new ATOM 0 HA SER A 24 80.810 -5.994 18.491 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.232 -4.812 19.650 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.461 -5.133 17.943 1.00 0.00 H new ATOM 0 HG SER A 24 78.381 -6.997 20.115 1.00 0.00 H new ATOM 384 N ASP A 25 80.467 -2.901 19.551 1.00 0.00 N ATOM 385 CA ASP A 25 80.802 -1.493 19.198 1.00 0.00 C ATOM 386 C ASP A 25 82.301 -1.353 18.915 1.00 0.00 C ATOM 387 O ASP A 25 82.702 -0.651 18.012 1.00 0.00 O ATOM 388 CB ASP A 25 80.417 -0.578 20.365 1.00 0.00 C ATOM 389 CG ASP A 25 78.893 -0.476 20.448 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.277 -0.265 19.416 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.365 -0.605 21.542 1.00 0.00 O ATOM 0 H ASP A 25 80.085 -3.034 20.487 1.00 0.00 H new ATOM 0 HA ASP A 25 80.249 -1.211 18.302 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.818 -0.973 21.299 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.852 0.412 20.225 1.00 0.00 H new ATOM 396 N PHE A 26 83.130 -2.014 19.681 1.00 0.00 N ATOM 397 CA PHE A 26 84.608 -1.915 19.467 1.00 0.00 C ATOM 398 C PHE A 26 85.108 -3.147 18.704 1.00 0.00 C ATOM 399 O PHE A 26 86.283 -3.282 18.435 1.00 0.00 O ATOM 400 CB PHE A 26 85.309 -1.837 20.826 1.00 0.00 C ATOM 401 CG PHE A 26 85.080 -0.474 21.445 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.947 0.583 21.154 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.001 -0.271 22.316 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.740 1.840 21.729 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.794 0.985 22.895 1.00 0.00 C ATOM 406 CZ PHE A 26 84.664 2.043 22.601 1.00 0.00 C ATOM 0 H PHE A 26 82.847 -2.622 20.450 1.00 0.00 H new ATOM 0 HA PHE A 26 84.830 -1.021 18.885 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.928 -2.615 21.487 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.377 -2.017 20.705 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.779 0.428 20.483 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.328 -1.086 22.540 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.411 2.655 21.500 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.964 1.139 23.568 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.505 3.014 23.047 1.00 0.00 H new ATOM 416 N ASN A 27 84.222 -4.039 18.349 1.00 0.00 N ATOM 417 CA ASN A 27 84.637 -5.260 17.596 1.00 0.00 C ATOM 418 C ASN A 27 85.729 -6.003 18.377 1.00 0.00 C ATOM 419 O ASN A 27 86.736 -6.403 17.823 1.00 0.00 O ATOM 420 CB ASN A 27 85.169 -4.858 16.215 1.00 0.00 C ATOM 421 CG ASN A 27 84.077 -4.097 15.463 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.943 -4.524 15.423 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.369 -2.977 14.862 1.00 0.00 N ATOM 0 H ASN A 27 83.224 -3.975 18.549 1.00 0.00 H new ATOM 0 HA ASN A 27 83.776 -5.917 17.472 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.057 -4.235 16.320 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.466 -5.744 15.653 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.644 -2.463 14.360 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.322 -2.615 14.894 1.00 0.00 H new ATOM 430 N LEU A 28 85.526 -6.200 19.659 1.00 0.00 N ATOM 431 CA LEU A 28 86.530 -6.929 20.498 1.00 0.00 C ATOM 432 C LEU A 28 85.857 -8.194 21.047 1.00 0.00 C ATOM 433 O LEU A 28 84.662 -8.204 21.262 1.00 0.00 O ATOM 434 CB LEU A 28 86.947 -6.044 21.682 1.00 0.00 C ATOM 435 CG LEU A 28 87.619 -4.759 21.181 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.706 -3.750 22.329 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.036 -5.062 20.666 1.00 0.00 C ATOM 0 H LEU A 28 84.699 -5.883 20.164 1.00 0.00 H new ATOM 0 HA LEU A 28 87.408 -7.179 19.902 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.072 -5.794 22.283 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.632 -6.591 22.329 1.00 0.00 H new ATOM 0 HG LEU A 28 87.025 -4.346 20.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.183 -2.836 21.975 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.703 -3.520 22.688 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.294 -4.175 23.143 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.500 -4.141 20.314 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.634 -5.484 21.474 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.980 -5.777 19.845 1.00 0.00 H new ATOM 449 N PRO A 29 86.599 -9.253 21.280 1.00 0.00 N ATOM 450 CA PRO A 29 86.015 -10.516 21.819 1.00 0.00 C ATOM 451 C PRO A 29 85.584 -10.358 23.291 1.00 0.00 C ATOM 452 O PRO A 29 86.187 -9.612 24.036 1.00 0.00 O ATOM 453 CB PRO A 29 87.162 -11.536 21.681 1.00 0.00 C ATOM 454 CG PRO A 29 88.407 -10.710 21.712 1.00 0.00 C ATOM 455 CD PRO A 29 88.052 -9.374 21.062 1.00 0.00 C ATOM 0 HA PRO A 29 85.113 -10.819 21.288 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.147 -12.261 22.494 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.083 -12.098 20.751 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.752 -10.565 22.736 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.214 -11.203 21.171 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.596 -8.548 21.521 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.299 -9.367 20.000 1.00 0.00 H new ATOM 463 N PRO A 30 84.559 -11.062 23.712 1.00 0.00 N ATOM 464 CA PRO A 30 84.067 -11.001 25.117 1.00 0.00 C ATOM 465 C PRO A 30 85.210 -10.911 26.131 1.00 0.00 C ATOM 466 O PRO A 30 85.043 -10.433 27.237 1.00 0.00 O ATOM 467 CB PRO A 30 83.307 -12.329 25.286 1.00 0.00 C ATOM 468 CG PRO A 30 82.849 -12.719 23.908 1.00 0.00 C ATOM 469 CD PRO A 30 83.753 -11.994 22.898 1.00 0.00 C ATOM 0 HA PRO A 30 83.456 -10.116 25.296 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.951 -13.096 25.715 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.459 -12.211 25.961 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.913 -13.799 23.774 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.806 -12.441 23.758 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.387 -12.698 22.359 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.164 -11.460 22.153 1.00 0.00 H new ATOM 477 N VAL A 31 86.360 -11.391 25.762 1.00 0.00 N ATOM 478 CA VAL A 31 87.513 -11.369 26.694 1.00 0.00 C ATOM 479 C VAL A 31 87.740 -9.959 27.230 1.00 0.00 C ATOM 480 O VAL A 31 87.742 -9.731 28.425 1.00 0.00 O ATOM 481 CB VAL A 31 88.757 -11.835 25.938 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.974 -11.819 26.862 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.518 -13.251 25.414 1.00 0.00 C ATOM 0 H VAL A 31 86.551 -11.801 24.848 1.00 0.00 H new ATOM 0 HA VAL A 31 87.311 -12.030 27.537 1.00 0.00 H new ATOM 0 HB VAL A 31 88.949 -11.161 25.103 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.853 -12.153 26.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.139 -10.806 27.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.799 -12.487 27.706 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.400 -13.592 24.873 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.324 -13.921 26.252 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.659 -13.251 24.743 1.00 0.00 H new ATOM 493 N VAL A 32 87.939 -9.017 26.363 1.00 0.00 N ATOM 494 CA VAL A 32 88.178 -7.629 26.831 1.00 0.00 C ATOM 495 C VAL A 32 86.925 -7.115 27.543 1.00 0.00 C ATOM 496 O VAL A 32 87.003 -6.481 28.577 1.00 0.00 O ATOM 497 CB VAL A 32 88.517 -6.739 25.630 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.526 -5.266 26.058 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.897 -7.128 25.098 1.00 0.00 C ATOM 0 H VAL A 32 87.947 -9.145 25.351 1.00 0.00 H new ATOM 0 HA VAL A 32 89.015 -7.608 27.529 1.00 0.00 H new ATOM 0 HB VAL A 32 87.768 -6.876 24.850 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.768 -4.639 25.200 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.543 -4.993 26.442 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.274 -5.118 26.837 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.148 -6.500 24.243 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.642 -6.988 25.882 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.887 -8.173 24.790 1.00 0.00 H new ATOM 509 N ALA A 33 85.767 -7.387 27.003 1.00 0.00 N ATOM 510 CA ALA A 33 84.516 -6.910 27.656 1.00 0.00 C ATOM 511 C ALA A 33 84.344 -7.601 29.010 1.00 0.00 C ATOM 512 O ALA A 33 83.944 -6.988 29.983 1.00 0.00 O ATOM 513 CB ALA A 33 83.313 -7.224 26.759 1.00 0.00 C ATOM 0 H ALA A 33 85.634 -7.917 26.141 1.00 0.00 H new ATOM 0 HA ALA A 33 84.579 -5.833 27.809 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.400 -6.874 27.240 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.434 -6.721 25.799 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.249 -8.300 26.599 1.00 0.00 H new ATOM 519 N LYS A 34 84.648 -8.870 29.088 1.00 0.00 N ATOM 520 CA LYS A 34 84.502 -9.594 30.384 1.00 0.00 C ATOM 521 C LYS A 34 85.397 -8.955 31.451 1.00 0.00 C ATOM 522 O LYS A 34 85.011 -8.824 32.599 1.00 0.00 O ATOM 523 CB LYS A 34 84.859 -11.071 30.193 1.00 0.00 C ATOM 524 CG LYS A 34 83.750 -11.789 29.395 1.00 0.00 C ATOM 525 CD LYS A 34 82.623 -12.244 30.330 1.00 0.00 C ATOM 526 CE LYS A 34 81.578 -13.023 29.527 1.00 0.00 C ATOM 527 NZ LYS A 34 80.623 -13.682 30.461 1.00 0.00 N ATOM 0 H LYS A 34 84.991 -9.435 28.311 1.00 0.00 H new ATOM 0 HA LYS A 34 83.467 -9.524 30.720 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.810 -11.158 29.667 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.987 -11.550 31.164 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.350 -11.119 28.633 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.168 -12.650 28.874 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.027 -12.870 31.126 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.161 -11.380 30.807 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.042 -12.350 28.858 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.067 -13.771 28.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.913 -14.211 29.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.140 -14.336 31.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.148 -12.959 31.038 1.00 0.00 H new ATOM 541 N GLU A 35 86.590 -8.556 31.096 1.00 0.00 N ATOM 542 CA GLU A 35 87.488 -7.938 32.115 1.00 0.00 C ATOM 543 C GLU A 35 86.822 -6.681 32.679 1.00 0.00 C ATOM 544 O GLU A 35 86.868 -6.432 33.868 1.00 0.00 O ATOM 545 CB GLU A 35 88.823 -7.558 31.463 1.00 0.00 C ATOM 546 CG GLU A 35 89.770 -6.955 32.513 1.00 0.00 C ATOM 547 CD GLU A 35 89.432 -5.479 32.762 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.637 -4.929 32.015 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.979 -4.923 33.700 1.00 0.00 O ATOM 0 H GLU A 35 86.978 -8.630 30.156 1.00 0.00 H new ATOM 0 HA GLU A 35 87.669 -8.651 32.920 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.280 -8.439 31.012 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.653 -6.841 30.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.691 -7.514 33.445 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.802 -7.045 32.174 1.00 0.00 H new ATOM 556 N ILE A 36 86.194 -5.896 31.853 1.00 0.00 N ATOM 557 CA ILE A 36 85.524 -4.675 32.379 1.00 0.00 C ATOM 558 C ILE A 36 84.446 -5.119 33.368 1.00 0.00 C ATOM 559 O ILE A 36 84.273 -4.541 34.426 1.00 0.00 O ATOM 560 CB ILE A 36 84.892 -3.888 31.226 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.014 -3.281 30.369 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.020 -2.762 31.793 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.444 -2.745 29.053 1.00 0.00 C ATOM 0 H ILE A 36 86.115 -6.043 30.847 1.00 0.00 H new ATOM 0 HA ILE A 36 86.247 -4.028 32.876 1.00 0.00 H new ATOM 0 HB ILE A 36 84.275 -4.550 30.619 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.504 -2.476 30.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.774 -4.035 30.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.570 -2.202 30.973 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.233 -3.189 32.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.635 -2.093 32.395 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.249 -2.318 28.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.975 -3.560 28.501 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.702 -1.976 29.265 1.00 0.00 H new ATOM 575 N VAL A 37 83.734 -6.160 33.033 1.00 0.00 N ATOM 576 CA VAL A 37 82.675 -6.679 33.950 1.00 0.00 C ATOM 577 C VAL A 37 83.334 -7.199 35.227 1.00 0.00 C ATOM 578 O VAL A 37 82.846 -6.999 36.321 1.00 0.00 O ATOM 579 CB VAL A 37 81.938 -7.829 33.251 1.00 0.00 C ATOM 580 CG1 VAL A 37 81.014 -8.542 34.247 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.110 -7.267 32.086 1.00 0.00 C ATOM 0 H VAL A 37 83.839 -6.677 32.160 1.00 0.00 H new ATOM 0 HA VAL A 37 81.970 -5.886 34.200 1.00 0.00 H new ATOM 0 HB VAL A 37 82.666 -8.545 32.870 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.495 -9.357 33.742 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.606 -8.943 35.070 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.284 -7.833 34.637 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.585 -8.081 31.587 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.385 -6.548 32.468 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.771 -6.772 31.375 1.00 0.00 H new ATOM 591 N ALA A 38 84.445 -7.856 35.086 1.00 0.00 N ATOM 592 CA ALA A 38 85.157 -8.397 36.276 1.00 0.00 C ATOM 593 C ALA A 38 85.721 -7.239 37.106 1.00 0.00 C ATOM 594 O ALA A 38 85.701 -7.261 38.320 1.00 0.00 O ATOM 595 CB ALA A 38 86.299 -9.306 35.819 1.00 0.00 C ATOM 0 H ALA A 38 84.897 -8.045 34.191 1.00 0.00 H new ATOM 0 HA ALA A 38 84.460 -8.972 36.886 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.820 -9.702 36.691 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.895 -10.131 35.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.997 -8.734 35.208 1.00 0.00 H new ATOM 601 N SER A 39 86.230 -6.232 36.457 1.00 0.00 N ATOM 602 CA SER A 39 86.799 -5.081 37.202 1.00 0.00 C ATOM 603 C SER A 39 85.665 -4.268 37.826 1.00 0.00 C ATOM 604 O SER A 39 85.782 -3.769 38.927 1.00 0.00 O ATOM 605 CB SER A 39 87.608 -4.202 36.248 1.00 0.00 C ATOM 606 OG SER A 39 88.745 -4.925 35.790 1.00 0.00 O ATOM 0 H SER A 39 86.276 -6.157 35.441 1.00 0.00 H new ATOM 0 HA SER A 39 87.455 -5.446 37.992 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.990 -3.900 35.402 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.923 -3.290 36.755 1.00 0.00 H new ATOM 0 HG SER A 39 89.132 -4.469 35.013 1.00 0.00 H new ATOM 612 N CYS A 40 84.561 -4.130 37.141 1.00 0.00 N ATOM 613 CA CYS A 40 83.428 -3.351 37.718 1.00 0.00 C ATOM 614 C CYS A 40 82.766 -4.184 38.822 1.00 0.00 C ATOM 615 O CYS A 40 82.143 -5.196 38.569 1.00 0.00 O ATOM 616 CB CYS A 40 82.406 -3.026 36.621 1.00 0.00 C ATOM 617 SG CYS A 40 81.272 -1.747 37.216 1.00 0.00 S ATOM 0 H CYS A 40 84.396 -4.520 36.213 1.00 0.00 H new ATOM 0 HA CYS A 40 83.799 -2.415 38.137 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.918 -2.684 35.722 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.850 -3.923 36.349 1.00 0.00 H new ATOM 622 N ASP A 41 82.915 -3.768 40.049 1.00 0.00 N ATOM 623 CA ASP A 41 82.322 -4.525 41.188 1.00 0.00 C ATOM 624 C ASP A 41 80.806 -4.612 41.036 1.00 0.00 C ATOM 625 O ASP A 41 80.201 -5.626 41.327 1.00 0.00 O ATOM 626 CB ASP A 41 82.649 -3.803 42.496 1.00 0.00 C ATOM 627 CG ASP A 41 84.140 -3.946 42.802 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.739 -4.891 42.317 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.656 -3.104 43.517 1.00 0.00 O ATOM 0 H ASP A 41 83.428 -2.927 40.314 1.00 0.00 H new ATOM 0 HA ASP A 41 82.739 -5.532 41.197 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.383 -2.749 42.418 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.058 -4.221 43.311 1.00 0.00 H new ATOM 634 N LYS A 42 80.187 -3.548 40.614 1.00 0.00 N ATOM 635 CA LYS A 42 78.710 -3.560 40.471 1.00 0.00 C ATOM 636 C LYS A 42 78.282 -4.631 39.471 1.00 0.00 C ATOM 637 O LYS A 42 77.298 -5.317 39.675 1.00 0.00 O ATOM 638 CB LYS A 42 78.253 -2.190 39.979 1.00 0.00 C ATOM 639 CG LYS A 42 78.539 -1.114 41.037 1.00 0.00 C ATOM 640 CD LYS A 42 77.473 -1.155 42.141 1.00 0.00 C ATOM 641 CE LYS A 42 77.634 0.060 43.051 1.00 0.00 C ATOM 642 NZ LYS A 42 76.862 -0.158 44.305 1.00 0.00 N ATOM 0 H LYS A 42 80.642 -2.670 40.362 1.00 0.00 H new ATOM 0 HA LYS A 42 78.255 -3.784 41.436 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.767 -1.941 39.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.186 -2.215 39.756 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.527 -1.273 41.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.551 -0.129 40.570 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.477 -1.162 41.699 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.571 -2.073 42.721 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.687 0.219 43.282 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.280 0.958 42.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.970 0.668 44.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.856 -0.289 44.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.220 -1.006 44.790 1.00 0.00 H new ATOM 656 N CYS A 43 78.993 -4.783 38.389 1.00 0.00 N ATOM 657 CA CYS A 43 78.596 -5.811 37.389 1.00 0.00 C ATOM 658 C CYS A 43 78.998 -7.200 37.883 1.00 0.00 C ATOM 659 O CYS A 43 78.359 -8.187 37.580 1.00 0.00 O ATOM 660 CB CYS A 43 79.292 -5.537 36.061 1.00 0.00 C ATOM 661 SG CYS A 43 78.944 -3.848 35.519 1.00 0.00 S ATOM 0 H CYS A 43 79.826 -4.243 38.155 1.00 0.00 H new ATOM 0 HA CYS A 43 77.515 -5.769 37.253 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.367 -5.679 36.168 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.950 -6.247 35.308 1.00 0.00 H new ATOM 666 N GLN A 44 80.059 -7.284 38.631 1.00 0.00 N ATOM 667 CA GLN A 44 80.510 -8.607 39.131 1.00 0.00 C ATOM 668 C GLN A 44 79.599 -9.074 40.268 1.00 0.00 C ATOM 669 O GLN A 44 78.737 -9.913 40.084 1.00 0.00 O ATOM 670 CB GLN A 44 81.938 -8.471 39.648 1.00 0.00 C ATOM 671 CG GLN A 44 82.494 -9.849 40.009 1.00 0.00 C ATOM 672 CD GLN A 44 83.916 -9.681 40.537 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.813 -9.111 39.781 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.208 -10.052 41.659 1.00 0.00 N ATOM 0 H GLN A 44 80.634 -6.492 38.918 1.00 0.00 H new ATOM 0 HA GLN A 44 80.470 -9.338 38.324 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.566 -8.003 38.889 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.957 -7.821 40.523 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.865 -10.325 40.762 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.490 -10.499 39.134 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.504 -10.497 42.248 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.156 -9.917 42.010 1.00 0.00 H new ATOM 683 N LEU A 45 79.785 -8.536 41.443 1.00 0.00 N ATOM 684 CA LEU A 45 78.935 -8.950 42.598 1.00 0.00 C ATOM 685 C LEU A 45 77.513 -8.433 42.384 1.00 0.00 C ATOM 686 O LEU A 45 77.306 -7.342 41.896 1.00 0.00 O ATOM 687 CB LEU A 45 79.494 -8.357 43.900 1.00 0.00 C ATOM 688 CG LEU A 45 80.928 -8.854 44.132 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.471 -8.253 45.434 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.949 -10.393 44.229 1.00 0.00 C ATOM 0 H LEU A 45 80.488 -7.828 41.654 1.00 0.00 H new ATOM 0 HA LEU A 45 78.932 -10.038 42.670 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.482 -7.268 43.848 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.861 -8.643 44.740 1.00 0.00 H new ATOM 0 HG LEU A 45 81.552 -8.543 43.294 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.489 -8.605 45.600 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.470 -7.165 45.361 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.840 -8.561 46.268 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.971 -10.733 44.394 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.322 -10.714 45.061 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.569 -10.821 43.302 1.00 0.00 H new ATOM 702 N LYS A 46 76.533 -9.219 42.735 1.00 0.00 N ATOM 703 CA LYS A 46 75.121 -8.793 42.542 1.00 0.00 C ATOM 704 C LYS A 46 74.691 -7.901 43.716 1.00 0.00 C ATOM 705 O LYS A 46 73.640 -7.291 43.694 1.00 0.00 O ATOM 706 CB LYS A 46 74.245 -10.049 42.490 1.00 0.00 C ATOM 707 CG LYS A 46 74.576 -10.840 41.221 1.00 0.00 C ATOM 708 CD LYS A 46 73.709 -12.103 41.152 1.00 0.00 C ATOM 709 CE LYS A 46 74.048 -12.891 39.881 1.00 0.00 C ATOM 710 NZ LYS A 46 73.014 -13.938 39.654 1.00 0.00 N ATOM 0 H LYS A 46 76.652 -10.143 43.150 1.00 0.00 H new ATOM 0 HA LYS A 46 75.016 -8.228 41.616 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.418 -10.665 43.373 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.191 -9.772 42.496 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.403 -10.221 40.341 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.631 -11.112 41.217 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.880 -12.722 42.032 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.653 -11.832 41.153 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.093 -12.218 39.025 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.031 -13.351 39.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.244 -14.472 38.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.992 -14.586 40.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.083 -13.488 39.544 1.00 0.00 H new ATOM 724 N GLY A 47 75.502 -7.817 44.737 1.00 0.00 N ATOM 725 CA GLY A 47 75.144 -6.959 45.902 1.00 0.00 C ATOM 726 C GLY A 47 76.283 -6.982 46.919 1.00 0.00 C ATOM 727 O GLY A 47 77.435 -6.801 46.575 1.00 0.00 O ATOM 0 H GLY A 47 76.395 -8.305 44.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.958 -5.937 45.571 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.223 -7.318 46.362 1.00 0.00 H new ATOM 731 N GLU A 48 75.968 -7.200 48.168 1.00 0.00 N ATOM 732 CA GLU A 48 77.024 -7.226 49.220 1.00 0.00 C ATOM 733 C GLU A 48 77.602 -8.637 49.341 1.00 0.00 C ATOM 734 O GLU A 48 78.484 -8.884 50.137 1.00 0.00 O ATOM 735 CB GLU A 48 76.411 -6.810 50.554 1.00 0.00 C ATOM 736 CG GLU A 48 75.957 -5.357 50.471 1.00 0.00 C ATOM 737 CD GLU A 48 75.342 -4.935 51.804 1.00 0.00 C ATOM 738 OE1 GLU A 48 74.262 -5.410 52.110 1.00 0.00 O ATOM 739 OE2 GLU A 48 75.956 -4.136 52.494 1.00 0.00 O ATOM 0 H GLU A 48 75.019 -7.362 48.506 1.00 0.00 H new ATOM 0 HA GLU A 48 77.823 -6.536 48.950 1.00 0.00 H new ATOM 0 HB2 GLU A 48 75.565 -7.454 50.795 1.00 0.00 H new ATOM 0 HB3 GLU A 48 77.140 -6.930 51.355 1.00 0.00 H new ATOM 0 HG2 GLU A 48 76.804 -4.714 50.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 75.228 -5.238 49.669 1.00 0.00 H new ATOM 746 N ALA A 49 77.112 -9.564 48.561 1.00 0.00 N ATOM 747 CA ALA A 49 77.631 -10.964 48.633 1.00 0.00 C ATOM 748 C ALA A 49 77.169 -11.612 49.938 1.00 0.00 C ATOM 749 O ALA A 49 76.400 -12.551 49.937 1.00 0.00 O ATOM 750 CB ALA A 49 79.170 -10.960 48.553 1.00 0.00 C ATOM 0 H ALA A 49 76.373 -9.413 47.875 1.00 0.00 H new ATOM 0 HA ALA A 49 77.242 -11.539 47.793 1.00 0.00 H new ATOM 0 HB1 ALA A 49 79.540 -11.984 48.606 1.00 0.00 H new ATOM 0 HB2 ALA A 49 79.484 -10.509 47.612 1.00 0.00 H new ATOM 0 HB3 ALA A 49 79.576 -10.384 49.385 1.00 0.00 H new ATOM 756 N MET A 50 77.629 -11.120 51.050 1.00 0.00 N ATOM 757 CA MET A 50 77.209 -11.714 52.352 1.00 0.00 C ATOM 758 C MET A 50 75.835 -11.172 52.749 1.00 0.00 C ATOM 759 O MET A 50 75.491 -10.049 52.446 1.00 0.00 O ATOM 760 CB MET A 50 78.236 -11.372 53.435 1.00 0.00 C ATOM 761 CG MET A 50 78.300 -9.856 53.639 1.00 0.00 C ATOM 762 SD MET A 50 79.663 -9.454 54.759 1.00 0.00 S ATOM 763 CE MET A 50 78.803 -9.786 56.315 1.00 0.00 C ATOM 0 H MET A 50 78.276 -10.334 51.118 1.00 0.00 H new ATOM 0 HA MET A 50 77.149 -12.797 52.248 1.00 0.00 H new ATOM 0 HB2 MET A 50 77.966 -11.862 54.371 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.217 -11.750 53.149 1.00 0.00 H new ATOM 0 HG2 MET A 50 78.443 -9.355 52.681 1.00 0.00 H new ATOM 0 HG3 MET A 50 77.358 -9.494 54.051 1.00 0.00 H new ATOM 0 HE1 MET A 50 79.439 -9.496 57.151 1.00 0.00 H new ATOM 0 HE2 MET A 50 77.876 -9.213 56.348 1.00 0.00 H new ATOM 0 HE3 MET A 50 78.574 -10.849 56.385 1.00 0.00 H new ATOM 773 N HIS A 51 75.054 -11.971 53.428 1.00 0.00 N ATOM 774 CA HIS A 51 73.692 -11.537 53.860 1.00 0.00 C ATOM 775 C HIS A 51 73.527 -11.834 55.354 1.00 0.00 C ATOM 776 O HIS A 51 74.023 -12.823 55.855 1.00 0.00 O ATOM 777 CB HIS A 51 72.635 -12.312 53.064 1.00 0.00 C ATOM 778 CG HIS A 51 72.642 -11.854 51.628 1.00 0.00 C ATOM 779 ND1 HIS A 51 73.245 -12.590 50.619 1.00 0.00 N ATOM 780 CD2 HIS A 51 72.122 -10.739 51.015 1.00 0.00 C ATOM 781 CE1 HIS A 51 73.071 -11.919 49.465 1.00 0.00 C ATOM 782 NE2 HIS A 51 72.393 -10.786 49.654 1.00 0.00 N ATOM 0 H HIS A 51 75.306 -12.920 53.705 1.00 0.00 H new ATOM 0 HA HIS A 51 73.568 -10.469 53.680 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.839 -13.381 53.115 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.649 -12.154 53.501 1.00 0.00 H new ATOM 0 HD2 HIS A 51 71.585 -9.947 51.516 1.00 0.00 H new ATOM 0 HE1 HIS A 51 73.435 -12.256 48.506 1.00 0.00 H new ATOM 0 HE2 HIS A 51 72.129 -10.099 48.948 1.00 0.00 H new ATOM 790 N GLY A 52 72.839 -10.989 56.071 1.00 0.00 N ATOM 791 CA GLY A 52 72.653 -11.231 57.528 1.00 0.00 C ATOM 792 C GLY A 52 72.110 -9.963 58.186 1.00 0.00 C ATOM 793 O GLY A 52 72.841 -9.032 58.465 1.00 0.00 O ATOM 0 H GLY A 52 72.398 -10.143 55.711 1.00 0.00 H new ATOM 0 HA2 GLY A 52 71.963 -12.060 57.685 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.601 -11.514 57.985 1.00 0.00 H new ATOM 797 N GLN A 53 70.829 -9.923 58.435 1.00 0.00 N ATOM 798 CA GLN A 53 70.218 -8.720 59.072 1.00 0.00 C ATOM 799 C GLN A 53 70.175 -8.910 60.593 1.00 0.00 C ATOM 800 O GLN A 53 69.525 -8.171 61.304 1.00 0.00 O ATOM 801 CB GLN A 53 68.805 -8.524 58.516 1.00 0.00 C ATOM 802 CG GLN A 53 68.902 -8.119 57.044 1.00 0.00 C ATOM 803 CD GLN A 53 67.502 -7.907 56.463 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.868 -8.839 56.005 1.00 0.00 O ATOM 805 NE2 GLN A 53 66.989 -6.703 56.460 1.00 0.00 N ATOM 0 H GLN A 53 70.175 -10.677 58.223 1.00 0.00 H new ATOM 0 HA GLN A 53 70.815 -7.836 58.849 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.230 -9.444 58.616 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.280 -7.756 59.084 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.486 -7.204 56.948 1.00 0.00 H new ATOM 0 HG3 GLN A 53 69.425 -8.891 56.480 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.520 -5.921 56.844 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.058 -6.546 56.074 1.00 0.00 H new ATOM 814 N VAL A 54 70.876 -9.901 61.087 1.00 0.00 N ATOM 815 CA VAL A 54 70.911 -10.170 62.564 1.00 0.00 C ATOM 816 C VAL A 54 72.298 -9.842 63.124 1.00 0.00 C ATOM 817 O VAL A 54 73.307 -10.287 62.612 1.00 0.00 O ATOM 818 CB VAL A 54 70.609 -11.648 62.814 1.00 0.00 C ATOM 819 CG1 VAL A 54 70.651 -11.930 64.316 1.00 0.00 C ATOM 820 CG2 VAL A 54 69.217 -11.979 62.271 1.00 0.00 C ATOM 0 H VAL A 54 71.433 -10.544 60.525 1.00 0.00 H new ATOM 0 HA VAL A 54 70.166 -9.546 63.058 1.00 0.00 H new ATOM 0 HB VAL A 54 71.354 -12.263 62.309 1.00 0.00 H new ATOM 0 HG11 VAL A 54 70.436 -12.984 64.495 1.00 0.00 H new ATOM 0 HG12 VAL A 54 71.641 -11.691 64.703 1.00 0.00 H new ATOM 0 HG13 VAL A 54 69.906 -11.317 64.822 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.999 -13.032 62.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 68.473 -11.364 62.778 1.00 0.00 H new ATOM 0 HG23 VAL A 54 69.187 -11.777 61.200 1.00 0.00 H new ATOM 830 N ASP A 55 72.355 -9.076 64.185 1.00 0.00 N ATOM 831 CA ASP A 55 73.673 -8.726 64.795 1.00 0.00 C ATOM 832 C ASP A 55 73.498 -8.555 66.302 1.00 0.00 C ATOM 833 O ASP A 55 73.143 -9.529 66.948 1.00 0.00 O ATOM 834 CB ASP A 55 74.196 -7.421 64.192 1.00 0.00 C ATOM 835 CG ASP A 55 73.195 -6.298 64.462 1.00 0.00 C ATOM 836 OD1 ASP A 55 72.110 -6.352 63.909 1.00 0.00 O ATOM 837 OD2 ASP A 55 73.532 -5.404 65.221 1.00 0.00 O ATOM 838 OXT ASP A 55 73.727 -7.460 66.788 1.00 0.00 O ATOM 0 H ASP A 55 71.543 -8.677 64.656 1.00 0.00 H new ATOM 0 HA ASP A 55 74.388 -9.524 64.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 75.165 -7.171 64.624 1.00 0.00 H new ATOM 0 HB3 ASP A 55 74.346 -7.538 63.119 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.512 -14.133 21.484 1.00 0.00 N ATOM 845 CA PHE B 1 92.514 -13.795 22.548 1.00 0.00 C ATOM 846 C PHE B 1 91.921 -15.081 23.134 1.00 0.00 C ATOM 847 O PHE B 1 92.386 -15.594 24.134 1.00 0.00 O ATOM 848 CB PHE B 1 91.385 -12.949 21.944 1.00 0.00 C ATOM 849 CG PHE B 1 91.851 -11.524 21.745 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.512 -11.156 20.566 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.616 -10.567 22.737 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.935 -9.834 20.383 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.041 -9.245 22.551 1.00 0.00 C ATOM 854 CZ PHE B 1 92.700 -8.880 21.375 1.00 0.00 C ATOM 0 H1 PHE B 1 93.569 -13.351 20.801 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.445 -14.282 21.918 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.216 -15.001 20.993 1.00 0.00 H new ATOM 0 HA PHE B 1 93.013 -13.233 23.338 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.072 -13.374 20.990 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.516 -12.967 22.601 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.695 -11.893 19.798 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.107 -10.847 23.647 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.444 -9.552 19.473 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.859 -8.507 23.318 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.028 -7.861 21.233 1.00 0.00 H new ATOM 866 N LEU B 2 90.893 -15.597 22.519 1.00 0.00 N ATOM 867 CA LEU B 2 90.241 -16.835 23.037 1.00 0.00 C ATOM 868 C LEU B 2 91.251 -17.982 23.062 1.00 0.00 C ATOM 869 O LEU B 2 91.276 -18.776 23.982 1.00 0.00 O ATOM 870 CB LEU B 2 89.074 -17.215 22.117 1.00 0.00 C ATOM 871 CG LEU B 2 88.039 -16.086 22.072 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.019 -16.378 20.964 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.305 -15.981 23.419 1.00 0.00 C ATOM 0 H LEU B 2 90.473 -15.212 21.673 1.00 0.00 H new ATOM 0 HA LEU B 2 89.875 -16.652 24.047 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.446 -17.416 21.112 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.605 -18.132 22.473 1.00 0.00 H new ATOM 0 HG LEU B 2 88.551 -15.145 21.871 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.281 -15.577 20.929 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.532 -16.441 20.004 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.518 -17.324 21.170 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.573 -15.175 23.373 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.796 -16.922 23.630 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.025 -15.772 24.210 1.00 0.00 H new ATOM 885 N ASP B 3 92.073 -18.086 22.055 1.00 0.00 N ATOM 886 CA ASP B 3 93.066 -19.187 22.019 1.00 0.00 C ATOM 887 C ASP B 3 94.046 -19.056 23.181 1.00 0.00 C ATOM 888 O ASP B 3 94.410 -20.029 23.812 1.00 0.00 O ATOM 889 CB ASP B 3 93.836 -19.111 20.706 1.00 0.00 C ATOM 890 CG ASP B 3 92.923 -19.539 19.551 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.001 -20.293 19.809 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.163 -19.114 18.431 1.00 0.00 O ATOM 0 H ASP B 3 92.097 -17.453 21.256 1.00 0.00 H new ATOM 0 HA ASP B 3 92.546 -20.142 22.101 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.196 -18.095 20.542 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.713 -19.757 20.749 1.00 0.00 H new ATOM 897 N GLY B 4 94.476 -17.861 23.478 1.00 0.00 N ATOM 898 CA GLY B 4 95.433 -17.676 24.615 1.00 0.00 C ATOM 899 C GLY B 4 94.783 -18.167 25.903 1.00 0.00 C ATOM 900 O GLY B 4 95.420 -18.761 26.752 1.00 0.00 O ATOM 0 H GLY B 4 94.210 -17.007 22.988 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.353 -18.228 24.425 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.706 -16.625 24.709 1.00 0.00 H new ATOM 904 N ILE B 5 93.514 -17.915 26.055 1.00 0.00 N ATOM 905 CA ILE B 5 92.804 -18.360 27.282 1.00 0.00 C ATOM 906 C ILE B 5 92.791 -19.890 27.351 1.00 0.00 C ATOM 907 O ILE B 5 92.947 -20.473 28.407 1.00 0.00 O ATOM 908 CB ILE B 5 91.375 -17.812 27.257 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.422 -16.299 27.498 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.537 -18.479 28.346 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.048 -15.679 27.234 1.00 0.00 C ATOM 0 H ILE B 5 92.936 -17.417 25.378 1.00 0.00 H new ATOM 0 HA ILE B 5 93.318 -17.982 28.165 1.00 0.00 H new ATOM 0 HB ILE B 5 90.921 -18.022 26.289 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.730 -16.096 28.524 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.167 -15.842 26.846 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.522 -18.082 28.319 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.510 -19.555 28.176 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.980 -18.277 29.321 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.094 -14.604 27.409 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.757 -15.867 26.201 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.313 -16.124 27.905 1.00 0.00 H new ATOM 923 N ASP B 6 92.600 -20.545 26.245 1.00 0.00 N ATOM 924 CA ASP B 6 92.570 -22.034 26.263 1.00 0.00 C ATOM 925 C ASP B 6 93.897 -22.589 26.783 1.00 0.00 C ATOM 926 O ASP B 6 93.923 -23.424 27.663 1.00 0.00 O ATOM 927 CB ASP B 6 92.342 -22.554 24.845 1.00 0.00 C ATOM 928 CG ASP B 6 92.325 -24.085 24.855 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.261 -24.644 25.049 1.00 0.00 O ATOM 930 OD2 ASP B 6 93.383 -24.672 24.678 1.00 0.00 O ATOM 0 H ASP B 6 92.463 -20.117 25.329 1.00 0.00 H new ATOM 0 HA ASP B 6 91.763 -22.358 26.920 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.399 -22.172 24.454 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.130 -22.193 24.184 1.00 0.00 H new ATOM 935 N LYS B 7 94.997 -22.136 26.255 1.00 0.00 N ATOM 936 CA LYS B 7 96.311 -22.655 26.733 1.00 0.00 C ATOM 937 C LYS B 7 96.539 -22.177 28.162 1.00 0.00 C ATOM 938 O LYS B 7 97.030 -22.897 29.007 1.00 0.00 O ATOM 939 CB LYS B 7 97.435 -22.128 25.839 1.00 0.00 C ATOM 940 CG LYS B 7 97.272 -22.695 24.427 1.00 0.00 C ATOM 941 CD LYS B 7 98.393 -22.167 23.540 1.00 0.00 C ATOM 942 CE LYS B 7 98.264 -22.756 22.135 1.00 0.00 C ATOM 943 NZ LYS B 7 97.054 -22.200 21.470 1.00 0.00 N ATOM 0 H LYS B 7 95.046 -21.433 25.517 1.00 0.00 H new ATOM 0 HA LYS B 7 96.307 -23.744 26.697 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.411 -21.039 25.810 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.404 -22.414 26.248 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.297 -23.784 24.455 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.303 -22.409 24.017 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.350 -21.079 23.493 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.361 -22.430 23.967 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.153 -22.523 21.549 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.194 -23.842 22.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.100 -22.392 20.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.203 -22.646 21.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.013 -21.173 21.627 1.00 0.00 H new ATOM 957 N ALA B 8 96.190 -20.952 28.430 1.00 0.00 N ATOM 958 CA ALA B 8 96.376 -20.396 29.795 1.00 0.00 C ATOM 959 C ALA B 8 95.408 -21.064 30.775 1.00 0.00 C ATOM 960 O ALA B 8 95.716 -21.243 31.935 1.00 0.00 O ATOM 961 CB ALA B 8 96.124 -18.888 29.755 1.00 0.00 C ATOM 0 H ALA B 8 95.780 -20.307 27.755 1.00 0.00 H new ATOM 0 HA ALA B 8 97.394 -20.590 30.132 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.258 -18.470 30.753 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.828 -18.420 29.068 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.106 -18.698 29.416 1.00 0.00 H new ATOM 967 N GLN B 9 94.235 -21.418 30.323 1.00 0.00 N ATOM 968 CA GLN B 9 93.248 -22.058 31.241 1.00 0.00 C ATOM 969 C GLN B 9 93.787 -23.409 31.723 1.00 0.00 C ATOM 970 O GLN B 9 94.279 -24.207 30.954 1.00 0.00 O ATOM 971 CB GLN B 9 91.916 -22.259 30.506 1.00 0.00 C ATOM 972 CG GLN B 9 90.897 -22.895 31.455 1.00 0.00 C ATOM 973 CD GLN B 9 89.536 -23.006 30.756 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.341 -22.460 29.692 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.581 -23.689 31.318 1.00 0.00 N ATOM 0 H GLN B 9 93.918 -21.293 29.362 1.00 0.00 H new ATOM 0 HA GLN B 9 93.087 -21.412 32.104 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.542 -21.302 30.142 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.063 -22.896 29.634 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.240 -23.883 31.763 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.804 -22.294 32.359 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.742 -24.150 32.214 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.671 -23.764 30.863 1.00 0.00 H new ATOM 984 N GLU B 10 93.690 -23.671 33.003 1.00 0.00 N ATOM 985 CA GLU B 10 94.186 -24.972 33.557 1.00 0.00 C ATOM 986 C GLU B 10 93.276 -25.404 34.714 1.00 0.00 C ATOM 987 O GLU B 10 92.192 -24.885 34.883 1.00 0.00 O ATOM 988 CB GLU B 10 95.613 -24.792 34.096 1.00 0.00 C ATOM 989 CG GLU B 10 96.599 -24.571 32.940 1.00 0.00 C ATOM 990 CD GLU B 10 96.663 -25.828 32.065 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.678 -26.911 32.624 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.718 -25.685 30.853 1.00 0.00 O ATOM 0 H GLU B 10 93.287 -23.037 33.693 1.00 0.00 H new ATOM 0 HA GLU B 10 94.181 -25.726 32.770 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.646 -23.942 34.778 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.906 -25.672 34.669 1.00 0.00 H new ATOM 0 HG2 GLU B 10 96.286 -23.716 32.341 1.00 0.00 H new ATOM 0 HG3 GLU B 10 97.589 -24.340 33.333 1.00 0.00 H new ATOM 999 N GLU B 11 93.712 -26.347 35.513 1.00 0.00 N ATOM 1000 CA GLU B 11 92.875 -26.799 36.657 1.00 0.00 C ATOM 1001 C GLU B 11 92.964 -25.762 37.783 1.00 0.00 C ATOM 1002 O GLU B 11 93.907 -25.003 37.857 1.00 0.00 O ATOM 1003 CB GLU B 11 93.383 -28.153 37.161 1.00 0.00 C ATOM 1004 CG GLU B 11 93.236 -29.200 36.049 1.00 0.00 C ATOM 1005 CD GLU B 11 91.751 -29.483 35.795 1.00 0.00 C ATOM 1006 OE1 GLU B 11 91.113 -30.054 36.665 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.277 -29.117 34.732 1.00 0.00 O ATOM 0 H GLU B 11 94.611 -26.820 35.419 1.00 0.00 H new ATOM 0 HA GLU B 11 91.838 -26.903 36.336 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.427 -28.072 37.463 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.819 -28.460 38.042 1.00 0.00 H new ATOM 0 HG2 GLU B 11 93.709 -28.842 35.135 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.747 -30.120 36.333 1.00 0.00 H new ATOM 1014 N HIS B 12 91.989 -25.720 38.653 1.00 0.00 N ATOM 1015 CA HIS B 12 92.020 -24.722 39.758 1.00 0.00 C ATOM 1016 C HIS B 12 93.050 -25.148 40.801 1.00 0.00 C ATOM 1017 O HIS B 12 92.706 -25.542 41.899 1.00 0.00 O ATOM 1018 CB HIS B 12 90.633 -24.641 40.396 1.00 0.00 C ATOM 1019 CG HIS B 12 90.645 -23.636 41.517 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.485 -22.270 41.298 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.777 -23.785 42.876 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.522 -21.660 42.498 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.699 -22.541 43.487 1.00 0.00 N ATOM 0 H HIS B 12 91.174 -26.334 38.645 1.00 0.00 H new ATOM 0 HA HIS B 12 92.297 -23.743 39.366 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.894 -24.355 39.647 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.340 -25.620 40.776 1.00 0.00 H new ATOM 0 HD2 HIS B 12 90.919 -24.724 43.390 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.421 -20.594 42.643 1.00 0.00 H new ATOM 0 HE2 HIS B 12 90.763 -22.341 44.485 1.00 0.00 H new ATOM 1031 N GLU B 13 94.315 -25.073 40.460 1.00 0.00 N ATOM 1032 CA GLU B 13 95.390 -25.469 41.418 1.00 0.00 C ATOM 1033 C GLU B 13 96.012 -24.205 42.035 1.00 0.00 C ATOM 1034 O GLU B 13 95.368 -23.185 42.172 1.00 0.00 O ATOM 1035 CB GLU B 13 96.459 -26.278 40.661 1.00 0.00 C ATOM 1036 CG GLU B 13 97.149 -27.278 41.605 1.00 0.00 C ATOM 1037 CD GLU B 13 96.248 -28.494 41.821 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.186 -29.323 40.930 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.631 -28.574 42.872 1.00 0.00 O ATOM 0 H GLU B 13 94.649 -24.752 39.551 1.00 0.00 H new ATOM 0 HA GLU B 13 94.976 -26.083 42.218 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.998 -26.812 39.830 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.200 -25.602 40.234 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.103 -27.592 41.182 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.365 -26.800 42.560 1.00 0.00 H new ATOM 1046 N LYS B 14 97.261 -24.268 42.412 1.00 0.00 N ATOM 1047 CA LYS B 14 97.933 -23.080 43.023 1.00 0.00 C ATOM 1048 C LYS B 14 98.153 -21.988 41.970 1.00 0.00 C ATOM 1049 O LYS B 14 98.176 -20.814 42.277 1.00 0.00 O ATOM 1050 CB LYS B 14 99.278 -23.513 43.614 1.00 0.00 C ATOM 1051 CG LYS B 14 99.030 -24.397 44.841 1.00 0.00 C ATOM 1052 CD LYS B 14 100.371 -24.838 45.442 1.00 0.00 C ATOM 1053 CE LYS B 14 100.122 -25.716 46.669 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.493 -24.912 47.752 1.00 0.00 N ATOM 0 H LYS B 14 97.850 -25.096 42.323 1.00 0.00 H new ATOM 0 HA LYS B 14 97.298 -22.675 43.811 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.857 -24.059 42.869 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.864 -22.638 43.894 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.450 -23.849 45.584 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.442 -25.271 44.559 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.949 -25.389 44.700 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.960 -23.965 45.721 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.475 -26.552 46.403 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.063 -26.140 47.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.588 -25.415 48.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.966 -23.988 47.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.485 -24.771 47.539 1.00 0.00 H new ATOM 1068 N TYR B 15 98.335 -22.364 40.736 1.00 0.00 N ATOM 1069 CA TYR B 15 98.576 -21.344 39.666 1.00 0.00 C ATOM 1070 C TYR B 15 97.379 -20.394 39.577 1.00 0.00 C ATOM 1071 O TYR B 15 97.537 -19.203 39.369 1.00 0.00 O ATOM 1072 CB TYR B 15 98.784 -22.040 38.317 1.00 0.00 C ATOM 1073 CG TYR B 15 100.190 -22.579 38.244 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.495 -23.819 38.812 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.193 -21.830 37.615 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.804 -24.310 38.751 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.505 -22.323 37.553 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.810 -23.561 38.120 1.00 0.00 C ATOM 1079 OH TYR B 15 104.102 -24.045 38.062 1.00 0.00 O ATOM 0 H TYR B 15 98.328 -23.333 40.417 1.00 0.00 H new ATOM 0 HA TYR B 15 99.471 -20.773 39.915 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.065 -22.851 38.199 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.609 -21.338 37.502 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.722 -24.397 39.297 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.956 -20.872 37.177 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.041 -25.268 39.190 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.278 -21.745 37.067 1.00 0.00 H new ATOM 0 HH TYR B 15 104.671 -23.402 37.590 1.00 0.00 H new ATOM 1089 N HIS B 16 96.187 -20.898 39.729 1.00 0.00 N ATOM 1090 CA HIS B 16 95.001 -20.007 39.650 1.00 0.00 C ATOM 1091 C HIS B 16 95.110 -18.932 40.740 1.00 0.00 C ATOM 1092 O HIS B 16 94.796 -17.777 40.518 1.00 0.00 O ATOM 1093 CB HIS B 16 93.723 -20.835 39.855 1.00 0.00 C ATOM 1094 CG HIS B 16 93.288 -21.454 38.552 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.952 -21.663 38.241 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.999 -21.896 37.463 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.905 -22.207 37.012 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.125 -22.369 36.497 1.00 0.00 N ATOM 0 H HIS B 16 95.985 -21.882 39.903 1.00 0.00 H new ATOM 0 HA HIS B 16 94.960 -19.529 38.671 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.902 -21.615 40.595 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.929 -20.200 40.247 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.075 -21.878 37.373 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.992 -22.479 36.504 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.364 -22.759 35.585 1.00 0.00 H new ATOM 1106 N SER B 17 95.551 -19.295 41.914 1.00 0.00 N ATOM 1107 CA SER B 17 95.687 -18.282 42.994 1.00 0.00 C ATOM 1108 C SER B 17 96.692 -17.223 42.539 1.00 0.00 C ATOM 1109 O SER B 17 96.491 -16.037 42.724 1.00 0.00 O ATOM 1110 CB SER B 17 96.188 -18.965 44.260 1.00 0.00 C ATOM 1111 OG SER B 17 97.540 -19.364 44.075 1.00 0.00 O ATOM 0 H SER B 17 95.821 -20.245 42.169 1.00 0.00 H new ATOM 0 HA SER B 17 94.725 -17.812 43.201 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.110 -18.285 45.109 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.569 -19.832 44.488 1.00 0.00 H new ATOM 0 HG SER B 17 97.581 -20.084 43.412 1.00 0.00 H new ATOM 1117 N ASN B 18 97.770 -17.645 41.923 1.00 0.00 N ATOM 1118 CA ASN B 18 98.792 -16.680 41.422 1.00 0.00 C ATOM 1119 C ASN B 18 98.541 -16.421 39.938 1.00 0.00 C ATOM 1120 O ASN B 18 99.158 -17.028 39.084 1.00 0.00 O ATOM 1121 CB ASN B 18 100.188 -17.282 41.591 1.00 0.00 C ATOM 1122 CG ASN B 18 100.476 -17.523 43.073 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.922 -18.591 43.447 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.239 -16.568 43.939 1.00 0.00 N ATOM 0 H ASN B 18 97.985 -18.626 41.746 1.00 0.00 H new ATOM 0 HA ASN B 18 98.724 -15.749 41.984 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.258 -18.220 41.041 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.936 -16.610 41.171 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.429 -16.719 44.930 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.865 -15.674 43.622 1.00 0.00 H new ATOM 1131 N TRP B 19 97.647 -15.535 39.614 1.00 0.00 N ATOM 1132 CA TRP B 19 97.370 -15.262 38.174 1.00 0.00 C ATOM 1133 C TRP B 19 98.566 -14.546 37.547 1.00 0.00 C ATOM 1134 O TRP B 19 98.774 -14.602 36.350 1.00 0.00 O ATOM 1135 CB TRP B 19 96.111 -14.402 38.040 1.00 0.00 C ATOM 1136 CG TRP B 19 96.317 -13.086 38.711 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.895 -12.785 39.961 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.984 -11.893 38.204 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.245 -11.479 40.249 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.921 -10.888 39.202 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.628 -11.583 36.991 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.476 -9.621 39.005 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.188 -10.311 36.793 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.111 -9.332 37.800 1.00 0.00 C ATOM 0 H TRP B 19 97.097 -14.989 40.277 1.00 0.00 H new ATOM 0 HA TRP B 19 97.208 -16.206 37.653 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.876 -14.249 36.987 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.260 -14.917 38.485 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.370 -13.456 40.625 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.030 -11.010 41.129 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.691 -12.326 36.210 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.413 -8.872 39.781 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.682 -10.082 35.860 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.544 -8.356 37.639 1.00 0.00 H new ATOM 1155 N ARG B 20 99.351 -13.875 38.345 1.00 0.00 N ATOM 1156 CA ARG B 20 100.530 -13.152 37.788 1.00 0.00 C ATOM 1157 C ARG B 20 101.495 -14.149 37.135 1.00 0.00 C ATOM 1158 O ARG B 20 102.051 -13.888 36.086 1.00 0.00 O ATOM 1159 CB ARG B 20 101.254 -12.417 38.920 1.00 0.00 C ATOM 1160 CG ARG B 20 100.396 -11.246 39.404 1.00 0.00 C ATOM 1161 CD ARG B 20 101.072 -10.576 40.605 1.00 0.00 C ATOM 1162 NE ARG B 20 102.484 -10.251 40.257 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.179 -9.435 41.010 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.649 -8.915 42.083 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.408 -9.144 40.685 1.00 0.00 N ATOM 0 H ARG B 20 99.228 -13.796 39.354 1.00 0.00 H new ATOM 0 HA ARG B 20 100.190 -12.437 37.039 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.450 -13.102 39.745 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.220 -12.053 38.571 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.262 -10.523 38.599 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.404 -11.600 39.683 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.535 -9.668 40.880 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.042 -11.238 41.470 1.00 0.00 H new ATOM 0 HE ARG B 20 102.911 -10.666 39.429 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.689 -9.143 42.339 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.195 -8.280 42.665 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.824 -9.551 39.848 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.953 -8.509 41.268 1.00 0.00 H new ATOM 1179 N ALA B 21 101.692 -15.292 37.737 1.00 0.00 N ATOM 1180 CA ALA B 21 102.612 -16.293 37.135 1.00 0.00 C ATOM 1181 C ALA B 21 102.082 -16.679 35.755 1.00 0.00 C ATOM 1182 O ALA B 21 102.826 -16.816 34.807 1.00 0.00 O ATOM 1183 CB ALA B 21 102.678 -17.535 38.020 1.00 0.00 C ATOM 0 H ALA B 21 101.256 -15.572 38.616 1.00 0.00 H new ATOM 0 HA ALA B 21 103.611 -15.867 37.047 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.354 -18.265 37.573 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.045 -17.258 39.008 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.683 -17.970 38.111 1.00 0.00 H new ATOM 1189 N MET B 22 100.795 -16.862 35.633 1.00 0.00 N ATOM 1190 CA MET B 22 100.214 -17.235 34.315 1.00 0.00 C ATOM 1191 C MET B 22 100.445 -16.095 33.314 1.00 0.00 C ATOM 1192 O MET B 22 100.751 -16.314 32.157 1.00 0.00 O ATOM 1193 CB MET B 22 98.717 -17.474 34.485 1.00 0.00 C ATOM 1194 CG MET B 22 98.093 -17.893 33.148 1.00 0.00 C ATOM 1195 SD MET B 22 96.416 -18.525 33.414 1.00 0.00 S ATOM 1196 CE MET B 22 95.755 -17.119 34.339 1.00 0.00 C ATOM 0 H MET B 22 100.121 -16.769 36.392 1.00 0.00 H new ATOM 0 HA MET B 22 100.691 -18.141 33.941 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.548 -18.249 35.233 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.236 -16.567 34.851 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.065 -17.042 32.468 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.708 -18.659 32.675 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.666 -17.165 34.342 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.122 -17.153 35.365 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.078 -16.190 33.869 1.00 0.00 H new ATOM 1206 N ALA B 23 100.295 -14.877 33.752 1.00 0.00 N ATOM 1207 CA ALA B 23 100.513 -13.723 32.835 1.00 0.00 C ATOM 1208 C ALA B 23 101.988 -13.685 32.415 1.00 0.00 C ATOM 1209 O ALA B 23 102.319 -13.441 31.275 1.00 0.00 O ATOM 1210 CB ALA B 23 100.168 -12.423 33.564 1.00 0.00 C ATOM 0 H ALA B 23 100.031 -14.630 34.706 1.00 0.00 H new ATOM 0 HA ALA B 23 99.879 -13.831 31.955 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.327 -11.577 32.895 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.124 -12.447 33.877 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.807 -12.317 34.441 1.00 0.00 H new ATOM 1216 N SER B 24 102.874 -13.920 33.337 1.00 0.00 N ATOM 1217 CA SER B 24 104.332 -13.895 33.014 1.00 0.00 C ATOM 1218 C SER B 24 104.705 -15.080 32.123 1.00 0.00 C ATOM 1219 O SER B 24 105.506 -14.959 31.218 1.00 0.00 O ATOM 1220 CB SER B 24 105.137 -13.979 34.311 1.00 0.00 C ATOM 1221 OG SER B 24 104.963 -12.781 35.053 1.00 0.00 O ATOM 0 H SER B 24 102.653 -14.131 34.310 1.00 0.00 H new ATOM 0 HA SER B 24 104.557 -12.968 32.487 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.809 -14.835 34.900 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.193 -14.131 34.087 1.00 0.00 H new ATOM 0 HG SER B 24 104.094 -12.800 35.506 1.00 0.00 H new ATOM 1227 N ASP B 25 104.147 -16.229 32.387 1.00 0.00 N ATOM 1228 CA ASP B 25 104.490 -17.432 31.576 1.00 0.00 C ATOM 1229 C ASP B 25 104.104 -17.224 30.111 1.00 0.00 C ATOM 1230 O ASP B 25 104.819 -17.619 29.211 1.00 0.00 O ATOM 1231 CB ASP B 25 103.738 -18.645 32.131 1.00 0.00 C ATOM 1232 CG ASP B 25 104.350 -19.053 33.475 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.565 -19.109 33.559 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.591 -19.300 34.401 1.00 0.00 O ATOM 0 H ASP B 25 103.467 -16.387 33.131 1.00 0.00 H new ATOM 0 HA ASP B 25 105.566 -17.599 31.633 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.682 -18.405 32.258 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.794 -19.475 31.427 1.00 0.00 H new ATOM 1239 N PHE B 26 102.979 -16.619 29.863 1.00 0.00 N ATOM 1240 CA PHE B 26 102.528 -16.395 28.453 1.00 0.00 C ATOM 1241 C PHE B 26 102.833 -14.958 28.032 1.00 0.00 C ATOM 1242 O PHE B 26 102.535 -14.552 26.927 1.00 0.00 O ATOM 1243 CB PHE B 26 101.023 -16.645 28.365 1.00 0.00 C ATOM 1244 CG PHE B 26 100.750 -18.130 28.463 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.779 -18.919 27.310 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.470 -18.716 29.701 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.528 -20.295 27.393 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.222 -20.090 29.785 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.250 -20.880 28.632 1.00 0.00 C ATOM 0 H PHE B 26 102.344 -16.265 30.578 1.00 0.00 H new ATOM 0 HA PHE B 26 103.056 -17.079 27.789 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.509 -16.116 29.168 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.633 -16.254 27.425 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.995 -18.467 26.353 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.445 -18.108 30.593 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.549 -20.903 26.501 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.008 -20.542 30.743 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.057 -21.941 28.698 1.00 0.00 H new ATOM 1259 N ASN B 27 103.436 -14.190 28.898 1.00 0.00 N ATOM 1260 CA ASN B 27 103.776 -12.777 28.552 1.00 0.00 C ATOM 1261 C ASN B 27 102.511 -12.028 28.120 1.00 0.00 C ATOM 1262 O ASN B 27 102.510 -11.307 27.142 1.00 0.00 O ATOM 1263 CB ASN B 27 104.813 -12.752 27.423 1.00 0.00 C ATOM 1264 CG ASN B 27 106.077 -13.483 27.889 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.572 -13.239 28.972 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.630 -14.367 27.107 1.00 0.00 N ATOM 0 H ASN B 27 103.710 -14.481 29.836 1.00 0.00 H new ATOM 0 HA ASN B 27 104.196 -12.285 29.429 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.409 -13.230 26.531 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.051 -11.723 27.153 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.476 -14.852 27.404 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.216 -14.573 26.198 1.00 0.00 H new ATOM 1273 N LEU B 28 101.435 -12.188 28.856 1.00 0.00 N ATOM 1274 CA LEU B 28 100.154 -11.482 28.512 1.00 0.00 C ATOM 1275 C LEU B 28 99.812 -10.510 29.649 1.00 0.00 C ATOM 1276 O LEU B 28 100.145 -10.758 30.787 1.00 0.00 O ATOM 1277 CB LEU B 28 99.025 -12.516 28.391 1.00 0.00 C ATOM 1278 CG LEU B 28 99.314 -13.492 27.242 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.376 -14.694 27.359 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.093 -12.802 25.885 1.00 0.00 C ATOM 0 H LEU B 28 101.388 -12.780 29.685 1.00 0.00 H new ATOM 0 HA LEU B 28 100.265 -10.944 27.571 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.925 -13.066 29.327 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.076 -12.009 28.216 1.00 0.00 H new ATOM 0 HG LEU B 28 100.352 -13.819 27.305 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.576 -15.392 26.546 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.541 -15.193 28.314 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.342 -14.355 27.301 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.302 -13.507 25.080 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.059 -12.464 25.813 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.761 -11.945 25.799 1.00 0.00 H new ATOM 1292 N PRO B 29 99.148 -9.416 29.361 1.00 0.00 N ATOM 1293 CA PRO B 29 98.770 -8.431 30.415 1.00 0.00 C ATOM 1294 C PRO B 29 97.663 -8.984 31.340 1.00 0.00 C ATOM 1295 O PRO B 29 96.827 -9.761 30.912 1.00 0.00 O ATOM 1296 CB PRO B 29 98.263 -7.219 29.614 1.00 0.00 C ATOM 1297 CG PRO B 29 97.772 -7.801 28.324 1.00 0.00 C ATOM 1298 CD PRO B 29 98.690 -8.990 28.026 1.00 0.00 C ATOM 0 HA PRO B 29 99.603 -8.189 31.075 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.465 -6.699 30.144 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.059 -6.494 29.445 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.733 -8.121 28.410 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.814 -7.064 27.522 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.157 -9.789 27.511 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.526 -8.702 27.388 1.00 0.00 H new ATOM 1306 N PRO B 30 97.651 -8.585 32.593 1.00 0.00 N ATOM 1307 CA PRO B 30 96.628 -9.044 33.571 1.00 0.00 C ATOM 1308 C PRO B 30 95.236 -9.149 32.938 1.00 0.00 C ATOM 1309 O PRO B 30 94.388 -9.888 33.393 1.00 0.00 O ATOM 1310 CB PRO B 30 96.642 -7.949 34.647 1.00 0.00 C ATOM 1311 CG PRO B 30 98.023 -7.354 34.605 1.00 0.00 C ATOM 1312 CD PRO B 30 98.608 -7.656 33.214 1.00 0.00 C ATOM 0 HA PRO B 30 96.849 -10.039 33.957 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.884 -7.193 34.446 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.424 -8.364 35.631 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.984 -6.279 34.781 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.650 -7.782 35.387 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.714 -6.746 32.624 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.599 -8.103 33.291 1.00 0.00 H new ATOM 1320 N VAL B 31 94.995 -8.397 31.906 1.00 0.00 N ATOM 1321 CA VAL B 31 93.657 -8.416 31.253 1.00 0.00 C ATOM 1322 C VAL B 31 93.252 -9.838 30.900 1.00 0.00 C ATOM 1323 O VAL B 31 92.211 -10.312 31.306 1.00 0.00 O ATOM 1324 CB VAL B 31 93.726 -7.575 29.980 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.370 -7.582 29.275 1.00 0.00 C ATOM 1326 CG2 VAL B 31 94.125 -6.137 30.336 1.00 0.00 C ATOM 0 H VAL B 31 95.672 -7.763 31.481 1.00 0.00 H new ATOM 0 HA VAL B 31 92.915 -8.009 31.940 1.00 0.00 H new ATOM 0 HB VAL B 31 94.473 -7.999 29.309 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.428 -6.980 28.368 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.101 -8.606 29.014 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.613 -7.166 29.939 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.174 -5.537 29.427 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.384 -5.711 31.012 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.101 -6.140 30.822 1.00 0.00 H new ATOM 1336 N VAL B 32 94.052 -10.515 30.138 1.00 0.00 N ATOM 1337 CA VAL B 32 93.692 -11.904 29.753 1.00 0.00 C ATOM 1338 C VAL B 32 93.677 -12.789 31.005 1.00 0.00 C ATOM 1339 O VAL B 32 92.810 -13.617 31.183 1.00 0.00 O ATOM 1340 CB VAL B 32 94.716 -12.431 28.740 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.504 -13.935 28.522 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.531 -11.693 27.412 1.00 0.00 C ATOM 0 H VAL B 32 94.937 -10.172 29.765 1.00 0.00 H new ATOM 0 HA VAL B 32 92.702 -11.920 29.296 1.00 0.00 H new ATOM 0 HB VAL B 32 95.724 -12.263 29.120 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.234 -14.305 27.802 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.630 -14.461 29.468 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.498 -14.109 28.141 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.256 -12.062 26.686 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.522 -11.866 27.037 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.683 -10.625 27.565 1.00 0.00 H new ATOM 1352 N ALA B 33 94.628 -12.615 31.878 1.00 0.00 N ATOM 1353 CA ALA B 33 94.661 -13.440 33.115 1.00 0.00 C ATOM 1354 C ALA B 33 93.447 -13.113 33.991 1.00 0.00 C ATOM 1355 O ALA B 33 92.838 -13.983 34.580 1.00 0.00 O ATOM 1356 CB ALA B 33 95.948 -13.147 33.885 1.00 0.00 C ATOM 0 H ALA B 33 95.384 -11.937 31.788 1.00 0.00 H new ATOM 0 HA ALA B 33 94.630 -14.496 32.847 1.00 0.00 H new ATOM 0 HB1 ALA B 33 95.975 -13.751 34.792 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.808 -13.391 33.262 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.980 -12.090 34.151 1.00 0.00 H new ATOM 1362 N LYS B 34 93.089 -11.863 34.085 1.00 0.00 N ATOM 1363 CA LYS B 34 91.914 -11.486 34.926 1.00 0.00 C ATOM 1364 C LYS B 34 90.647 -12.165 34.401 1.00 0.00 C ATOM 1365 O LYS B 34 89.818 -12.616 35.170 1.00 0.00 O ATOM 1366 CB LYS B 34 91.747 -9.961 34.924 1.00 0.00 C ATOM 1367 CG LYS B 34 92.866 -9.303 35.759 1.00 0.00 C ATOM 1368 CD LYS B 34 92.497 -9.313 37.247 1.00 0.00 C ATOM 1369 CE LYS B 34 93.570 -8.556 38.036 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.082 -8.311 39.425 1.00 0.00 N ATOM 0 H LYS B 34 93.557 -11.086 33.618 1.00 0.00 H new ATOM 0 HA LYS B 34 92.083 -11.822 35.949 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.777 -9.586 33.901 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.773 -9.694 35.333 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.804 -9.837 35.607 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.024 -8.278 35.424 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.523 -8.847 37.396 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.419 -10.339 37.608 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.495 -9.133 38.060 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.797 -7.609 37.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.809 -7.797 39.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.211 -7.744 39.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.886 -9.221 39.890 1.00 0.00 H new ATOM 1384 N GLU B 35 90.484 -12.254 33.111 1.00 0.00 N ATOM 1385 CA GLU B 35 89.262 -12.910 32.571 1.00 0.00 C ATOM 1386 C GLU B 35 89.213 -14.361 33.056 1.00 0.00 C ATOM 1387 O GLU B 35 88.174 -14.851 33.436 1.00 0.00 O ATOM 1388 CB GLU B 35 89.299 -12.881 31.039 1.00 0.00 C ATOM 1389 CG GLU B 35 88.026 -13.519 30.471 1.00 0.00 C ATOM 1390 CD GLU B 35 88.138 -15.046 30.486 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.228 -15.542 30.715 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.131 -15.695 30.254 1.00 0.00 O ATOM 0 H GLU B 35 91.139 -11.904 32.412 1.00 0.00 H new ATOM 0 HA GLU B 35 88.377 -12.378 32.919 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.388 -11.853 30.689 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.177 -13.417 30.678 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.162 -13.206 31.058 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.861 -13.171 29.451 1.00 0.00 H new ATOM 1399 N ILE B 36 90.324 -15.051 33.062 1.00 0.00 N ATOM 1400 CA ILE B 36 90.307 -16.457 33.551 1.00 0.00 C ATOM 1401 C ILE B 36 89.851 -16.440 35.011 1.00 0.00 C ATOM 1402 O ILE B 36 89.059 -17.257 35.441 1.00 0.00 O ATOM 1403 CB ILE B 36 91.710 -17.059 33.438 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.046 -17.253 31.953 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.749 -18.414 34.151 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.531 -17.601 31.791 1.00 0.00 C ATOM 0 H ILE B 36 91.232 -14.704 32.753 1.00 0.00 H new ATOM 0 HA ILE B 36 89.627 -17.065 32.954 1.00 0.00 H new ATOM 0 HB ILE B 36 92.437 -16.391 33.901 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.430 -18.048 31.533 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.815 -16.344 31.398 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.749 -18.840 34.069 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.498 -18.279 35.203 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.028 -19.089 33.689 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.760 -17.737 30.734 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.140 -16.792 32.193 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.750 -18.522 32.331 1.00 0.00 H new ATOM 1418 N VAL B 37 90.336 -15.494 35.768 1.00 0.00 N ATOM 1419 CA VAL B 37 89.924 -15.389 37.195 1.00 0.00 C ATOM 1420 C VAL B 37 88.434 -15.066 37.261 1.00 0.00 C ATOM 1421 O VAL B 37 87.703 -15.586 38.087 1.00 0.00 O ATOM 1422 CB VAL B 37 90.722 -14.257 37.858 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.153 -13.952 39.248 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.190 -14.674 37.982 1.00 0.00 C ATOM 0 H VAL B 37 91.002 -14.787 35.457 1.00 0.00 H new ATOM 0 HA VAL B 37 90.117 -16.329 37.712 1.00 0.00 H new ATOM 0 HB VAL B 37 90.647 -13.360 37.243 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.727 -13.148 39.708 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.111 -13.647 39.156 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.216 -14.844 39.871 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.758 -13.871 38.453 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.262 -15.575 38.591 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.597 -14.873 36.991 1.00 0.00 H new ATOM 1434 N ALA B 38 87.986 -14.207 36.391 1.00 0.00 N ATOM 1435 CA ALA B 38 86.545 -13.828 36.379 1.00 0.00 C ATOM 1436 C ALA B 38 85.704 -15.018 35.920 1.00 0.00 C ATOM 1437 O ALA B 38 84.620 -15.266 36.419 1.00 0.00 O ATOM 1438 CB ALA B 38 86.334 -12.657 35.423 1.00 0.00 C ATOM 0 H ALA B 38 88.559 -13.748 35.683 1.00 0.00 H new ATOM 0 HA ALA B 38 86.240 -13.537 37.384 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.280 -12.380 35.414 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.930 -11.806 35.753 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.641 -12.948 34.418 1.00 0.00 H new ATOM 1444 N SER B 39 86.188 -15.754 34.961 1.00 0.00 N ATOM 1445 CA SER B 39 85.416 -16.926 34.456 1.00 0.00 C ATOM 1446 C SER B 39 85.450 -18.048 35.490 1.00 0.00 C ATOM 1447 O SER B 39 84.476 -18.746 35.687 1.00 0.00 O ATOM 1448 CB SER B 39 86.025 -17.415 33.146 1.00 0.00 C ATOM 1449 OG SER B 39 85.829 -16.429 32.142 1.00 0.00 O ATOM 0 H SER B 39 87.086 -15.596 34.503 1.00 0.00 H new ATOM 0 HA SER B 39 84.382 -16.629 34.283 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.089 -17.611 33.277 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.562 -18.355 32.845 1.00 0.00 H new ATOM 0 HG SER B 39 86.483 -16.559 31.423 1.00 0.00 H new ATOM 1455 N CYS B 40 86.554 -18.234 36.157 1.00 0.00 N ATOM 1456 CA CYS B 40 86.626 -19.314 37.178 1.00 0.00 C ATOM 1457 C CYS B 40 85.835 -18.883 38.418 1.00 0.00 C ATOM 1458 O CYS B 40 86.212 -17.967 39.122 1.00 0.00 O ATOM 1459 CB CYS B 40 88.090 -19.572 37.551 1.00 0.00 C ATOM 1460 SG CYS B 40 88.204 -21.115 38.487 1.00 0.00 S ATOM 0 H CYS B 40 87.407 -17.687 36.040 1.00 0.00 H new ATOM 0 HA CYS B 40 86.198 -20.233 36.777 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.701 -19.633 36.651 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.478 -18.744 38.144 1.00 0.00 H new ATOM 1465 N ASP B 41 84.733 -19.534 38.677 1.00 0.00 N ATOM 1466 CA ASP B 41 83.896 -19.164 39.850 1.00 0.00 C ATOM 1467 C ASP B 41 84.690 -19.319 41.144 1.00 0.00 C ATOM 1468 O ASP B 41 84.577 -18.525 42.053 1.00 0.00 O ATOM 1469 CB ASP B 41 82.674 -20.083 39.907 1.00 0.00 C ATOM 1470 CG ASP B 41 81.712 -19.735 38.765 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.717 -18.592 38.336 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.997 -20.622 38.328 1.00 0.00 O ATOM 0 H ASP B 41 84.376 -20.311 38.121 1.00 0.00 H new ATOM 0 HA ASP B 41 83.585 -18.125 39.744 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.986 -21.124 39.828 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.169 -19.974 40.867 1.00 0.00 H new ATOM 1477 N LYS B 42 85.474 -20.351 41.244 1.00 0.00 N ATOM 1478 CA LYS B 42 86.250 -20.569 42.493 1.00 0.00 C ATOM 1479 C LYS B 42 87.201 -19.398 42.746 1.00 0.00 C ATOM 1480 O LYS B 42 87.374 -18.966 43.868 1.00 0.00 O ATOM 1481 CB LYS B 42 87.066 -21.857 42.348 1.00 0.00 C ATOM 1482 CG LYS B 42 86.129 -23.075 42.244 1.00 0.00 C ATOM 1483 CD LYS B 42 85.605 -23.469 43.636 1.00 0.00 C ATOM 1484 CE LYS B 42 84.875 -24.809 43.547 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.108 -25.039 44.803 1.00 0.00 N ATOM 0 H LYS B 42 85.612 -21.053 40.517 1.00 0.00 H new ATOM 0 HA LYS B 42 85.560 -20.647 43.333 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.697 -21.798 41.461 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.730 -21.973 43.204 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.292 -22.843 41.586 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.662 -23.915 41.798 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.433 -23.540 44.341 1.00 0.00 H new ATOM 0 HD3 LYS B 42 84.931 -22.700 44.013 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.201 -24.812 42.690 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.591 -25.616 43.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.611 -25.950 44.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.762 -25.053 45.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.415 -24.274 44.932 1.00 0.00 H new ATOM 1499 N CYS B 43 87.822 -18.883 41.722 1.00 0.00 N ATOM 1500 CA CYS B 43 88.767 -17.752 41.927 1.00 0.00 C ATOM 1501 C CYS B 43 87.982 -16.454 42.140 1.00 0.00 C ATOM 1502 O CYS B 43 88.410 -15.562 42.850 1.00 0.00 O ATOM 1503 CB CYS B 43 89.660 -17.595 40.704 1.00 0.00 C ATOM 1504 SG CYS B 43 90.507 -19.155 40.364 1.00 0.00 S ATOM 0 H CYS B 43 87.717 -19.195 40.757 1.00 0.00 H new ATOM 0 HA CYS B 43 89.380 -17.960 42.804 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.063 -17.299 39.841 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.390 -16.803 40.874 1.00 0.00 H new ATOM 1509 N GLN B 44 86.840 -16.339 41.520 1.00 0.00 N ATOM 1510 CA GLN B 44 86.030 -15.104 41.668 1.00 0.00 C ATOM 1511 C GLN B 44 85.367 -15.076 43.045 1.00 0.00 C ATOM 1512 O GLN B 44 85.808 -14.382 43.938 1.00 0.00 O ATOM 1513 CB GLN B 44 84.951 -15.095 40.593 1.00 0.00 C ATOM 1514 CG GLN B 44 84.235 -13.746 40.592 1.00 0.00 C ATOM 1515 CD GLN B 44 83.156 -13.770 39.510 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.979 -13.655 39.798 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.506 -13.929 38.265 1.00 0.00 N ATOM 0 H GLN B 44 86.434 -17.053 40.915 1.00 0.00 H new ATOM 0 HA GLN B 44 86.675 -14.231 41.565 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.396 -15.282 39.616 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.236 -15.897 40.776 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.789 -13.553 41.568 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.945 -12.941 40.401 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.492 -14.026 38.021 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.794 -13.957 37.535 1.00 0.00 H new ATOM 1526 N LEU B 45 84.307 -15.820 43.222 1.00 0.00 N ATOM 1527 CA LEU B 45 83.608 -15.833 44.540 1.00 0.00 C ATOM 1528 C LEU B 45 84.495 -16.539 45.563 1.00 0.00 C ATOM 1529 O LEU B 45 85.161 -17.512 45.258 1.00 0.00 O ATOM 1530 CB LEU B 45 82.279 -16.590 44.418 1.00 0.00 C ATOM 1531 CG LEU B 45 81.376 -15.921 43.370 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.061 -16.702 43.263 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.085 -14.465 43.773 1.00 0.00 C ATOM 0 H LEU B 45 83.894 -16.421 42.508 1.00 0.00 H new ATOM 0 HA LEU B 45 83.410 -14.809 44.857 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.468 -17.626 44.137 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.774 -16.609 45.384 1.00 0.00 H new ATOM 0 HG LEU B 45 81.883 -15.923 42.405 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.417 -16.231 42.520 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.271 -17.728 42.962 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.559 -16.703 44.230 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.444 -14.001 43.023 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.582 -14.449 44.740 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.022 -13.912 43.842 1.00 0.00 H new ATOM 1545 N LYS B 46 84.513 -16.046 46.768 1.00 0.00 N ATOM 1546 CA LYS B 46 85.359 -16.669 47.822 1.00 0.00 C ATOM 1547 C LYS B 46 84.616 -17.858 48.431 1.00 0.00 C ATOM 1548 O LYS B 46 85.168 -18.626 49.195 1.00 0.00 O ATOM 1549 CB LYS B 46 85.647 -15.625 48.898 1.00 0.00 C ATOM 1550 CG LYS B 46 86.553 -14.540 48.309 1.00 0.00 C ATOM 1551 CD LYS B 46 86.849 -13.481 49.376 1.00 0.00 C ATOM 1552 CE LYS B 46 87.752 -12.398 48.780 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.267 -11.523 49.872 1.00 0.00 N ATOM 0 H LYS B 46 83.975 -15.234 47.070 1.00 0.00 H new ATOM 0 HA LYS B 46 86.298 -17.021 47.394 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.716 -15.185 49.255 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.129 -16.092 49.757 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.484 -14.983 47.954 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.071 -14.078 47.448 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.919 -13.039 49.733 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.334 -13.942 50.237 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.583 -12.857 48.245 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.195 -11.804 48.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 88.880 -10.787 49.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 87.468 -11.075 50.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.813 -12.095 50.547 1.00 0.00 H new ATOM 1567 N GLY B 47 83.367 -18.022 48.094 1.00 0.00 N ATOM 1568 CA GLY B 47 82.587 -19.168 48.648 1.00 0.00 C ATOM 1569 C GLY B 47 81.171 -19.159 48.057 1.00 0.00 C ATOM 1570 O GLY B 47 80.979 -19.023 46.865 1.00 0.00 O ATOM 0 H GLY B 47 82.851 -17.413 47.459 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.085 -20.108 48.411 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.539 -19.097 49.735 1.00 0.00 H new ATOM 1574 N GLU B 48 80.179 -19.307 48.886 1.00 0.00 N ATOM 1575 CA GLU B 48 78.772 -19.312 48.389 1.00 0.00 C ATOM 1576 C GLU B 48 78.247 -17.875 48.314 1.00 0.00 C ATOM 1577 O GLU B 48 77.116 -17.637 47.951 1.00 0.00 O ATOM 1578 CB GLU B 48 77.910 -20.122 49.357 1.00 0.00 C ATOM 1579 CG GLU B 48 78.348 -21.590 49.319 1.00 0.00 C ATOM 1580 CD GLU B 48 77.486 -22.404 50.287 1.00 0.00 C ATOM 1581 OE1 GLU B 48 77.589 -22.168 51.477 1.00 0.00 O ATOM 1582 OE2 GLU B 48 76.744 -23.256 49.822 1.00 0.00 O ATOM 0 H GLU B 48 80.280 -19.426 49.894 1.00 0.00 H new ATOM 0 HA GLU B 48 78.733 -19.758 47.395 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.009 -19.727 50.368 1.00 0.00 H new ATOM 0 HB3 GLU B 48 76.858 -20.037 49.084 1.00 0.00 H new ATOM 0 HG2 GLU B 48 78.249 -21.984 48.308 1.00 0.00 H new ATOM 0 HG3 GLU B 48 79.400 -21.674 49.593 1.00 0.00 H new ATOM 1589 N ALA B 49 79.062 -16.919 48.662 1.00 0.00 N ATOM 1590 CA ALA B 49 78.617 -15.496 48.621 1.00 0.00 C ATOM 1591 C ALA B 49 77.565 -15.258 49.706 1.00 0.00 C ATOM 1592 O ALA B 49 77.787 -14.507 50.631 1.00 0.00 O ATOM 1593 CB ALA B 49 78.038 -15.166 47.237 1.00 0.00 C ATOM 0 H ALA B 49 80.022 -17.062 48.975 1.00 0.00 H new ATOM 0 HA ALA B 49 79.472 -14.845 48.804 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.716 -14.125 47.216 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.802 -15.325 46.476 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.185 -15.814 47.036 1.00 0.00 H new ATOM 1599 N MET B 50 76.427 -15.889 49.604 1.00 0.00 N ATOM 1600 CA MET B 50 75.369 -15.689 50.642 1.00 0.00 C ATOM 1601 C MET B 50 75.675 -16.556 51.865 1.00 0.00 C ATOM 1602 O MET B 50 76.235 -17.627 51.752 1.00 0.00 O ATOM 1603 CB MET B 50 73.998 -16.063 50.070 1.00 0.00 C ATOM 1604 CG MET B 50 73.960 -17.550 49.716 1.00 0.00 C ATOM 1605 SD MET B 50 72.423 -17.917 48.829 1.00 0.00 S ATOM 1606 CE MET B 50 71.363 -18.155 50.280 1.00 0.00 C ATOM 0 H MET B 50 76.182 -16.532 48.851 1.00 0.00 H new ATOM 0 HA MET B 50 75.355 -14.641 50.940 1.00 0.00 H new ATOM 0 HB2 MET B 50 73.218 -15.835 50.797 1.00 0.00 H new ATOM 0 HB3 MET B 50 73.791 -15.465 49.182 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.820 -17.811 49.099 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.023 -18.153 50.622 1.00 0.00 H new ATOM 0 HE1 MET B 50 70.350 -18.395 49.955 1.00 0.00 H new ATOM 0 HE2 MET B 50 71.753 -18.973 50.886 1.00 0.00 H new ATOM 0 HE3 MET B 50 71.347 -17.240 50.873 1.00 0.00 H new ATOM 1616 N HIS B 51 75.315 -16.091 53.037 1.00 0.00 N ATOM 1617 CA HIS B 51 75.578 -16.874 54.289 1.00 0.00 C ATOM 1618 C HIS B 51 74.285 -16.949 55.109 1.00 0.00 C ATOM 1619 O HIS B 51 73.533 -16.001 55.183 1.00 0.00 O ATOM 1620 CB HIS B 51 76.663 -16.176 55.114 1.00 0.00 C ATOM 1621 CG HIS B 51 77.990 -16.292 54.410 1.00 0.00 C ATOM 1622 ND1 HIS B 51 78.530 -15.248 53.675 1.00 0.00 N ATOM 1623 CD2 HIS B 51 78.901 -17.319 54.326 1.00 0.00 C ATOM 1624 CE1 HIS B 51 79.716 -15.665 53.188 1.00 0.00 C ATOM 1625 NE2 HIS B 51 79.984 -16.916 53.556 1.00 0.00 N ATOM 0 H HIS B 51 74.847 -15.196 53.182 1.00 0.00 H new ATOM 0 HA HIS B 51 75.914 -17.878 54.031 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.406 -15.126 55.256 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.726 -16.626 56.105 1.00 0.00 H new ATOM 0 HD2 HIS B 51 78.791 -18.289 54.788 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.368 -15.059 52.576 1.00 0.00 H new ATOM 0 HE2 HIS B 51 80.812 -17.464 53.321 1.00 0.00 H new ATOM 1633 N GLY B 52 74.023 -18.065 55.729 1.00 0.00 N ATOM 1634 CA GLY B 52 72.782 -18.197 56.545 1.00 0.00 C ATOM 1635 C GLY B 52 72.617 -19.654 56.984 1.00 0.00 C ATOM 1636 O GLY B 52 72.208 -20.504 56.215 1.00 0.00 O ATOM 0 H GLY B 52 74.616 -18.895 55.706 1.00 0.00 H new ATOM 0 HA2 GLY B 52 72.836 -17.546 57.418 1.00 0.00 H new ATOM 0 HA3 GLY B 52 71.916 -17.880 55.964 1.00 0.00 H new ATOM 1640 N GLN B 53 72.936 -19.951 58.214 1.00 0.00 N ATOM 1641 CA GLN B 53 72.805 -21.354 58.710 1.00 0.00 C ATOM 1642 C GLN B 53 71.451 -21.526 59.401 1.00 0.00 C ATOM 1643 O GLN B 53 71.197 -22.518 60.055 1.00 0.00 O ATOM 1644 CB GLN B 53 73.943 -21.652 59.690 1.00 0.00 C ATOM 1645 CG GLN B 53 75.265 -21.702 58.923 1.00 0.00 C ATOM 1646 CD GLN B 53 76.418 -22.000 59.884 1.00 0.00 C ATOM 1647 OE1 GLN B 53 76.977 -21.103 60.484 1.00 0.00 O ATOM 1648 NE2 GLN B 53 76.801 -23.232 60.055 1.00 0.00 N ATOM 0 H GLN B 53 73.283 -19.281 58.901 1.00 0.00 H new ATOM 0 HA GLN B 53 72.865 -22.050 57.873 1.00 0.00 H new ATOM 0 HB2 GLN B 53 73.985 -20.884 60.462 1.00 0.00 H new ATOM 0 HB3 GLN B 53 73.765 -22.602 60.195 1.00 0.00 H new ATOM 0 HG2 GLN B 53 75.218 -22.469 58.150 1.00 0.00 H new ATOM 0 HG3 GLN B 53 75.438 -20.752 58.418 1.00 0.00 H new ATOM 0 HE21 GLN B 53 76.333 -23.986 59.552 1.00 0.00 H new ATOM 0 HE22 GLN B 53 77.569 -23.444 60.692 1.00 0.00 H new ATOM 1657 N VAL B 54 70.577 -20.559 59.254 1.00 0.00 N ATOM 1658 CA VAL B 54 69.218 -20.639 59.884 1.00 0.00 C ATOM 1659 C VAL B 54 68.158 -20.827 58.793 1.00 0.00 C ATOM 1660 O VAL B 54 68.118 -20.100 57.821 1.00 0.00 O ATOM 1661 CB VAL B 54 68.927 -19.337 60.630 1.00 0.00 C ATOM 1662 CG1 VAL B 54 67.541 -19.420 61.276 1.00 0.00 C ATOM 1663 CG2 VAL B 54 69.988 -19.127 61.710 1.00 0.00 C ATOM 0 H VAL B 54 70.748 -19.708 58.719 1.00 0.00 H new ATOM 0 HA VAL B 54 69.192 -21.481 60.576 1.00 0.00 H new ATOM 0 HB VAL B 54 68.949 -18.500 59.932 1.00 0.00 H new ATOM 0 HG11 VAL B 54 67.332 -18.492 61.809 1.00 0.00 H new ATOM 0 HG12 VAL B 54 66.788 -19.573 60.503 1.00 0.00 H new ATOM 0 HG13 VAL B 54 67.516 -20.254 61.977 1.00 0.00 H new ATOM 0 HG21 VAL B 54 69.784 -18.199 62.245 1.00 0.00 H new ATOM 0 HG22 VAL B 54 69.965 -19.962 62.410 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.973 -19.070 61.246 1.00 0.00 H new ATOM 1673 N ASP B 55 67.290 -21.786 58.948 1.00 0.00 N ATOM 1674 CA ASP B 55 66.226 -22.008 57.925 1.00 0.00 C ATOM 1675 C ASP B 55 64.966 -22.531 58.617 1.00 0.00 C ATOM 1676 O ASP B 55 64.463 -21.839 59.486 1.00 0.00 O ATOM 1677 CB ASP B 55 66.712 -23.037 56.907 1.00 0.00 C ATOM 1678 CG ASP B 55 67.048 -24.350 57.617 1.00 0.00 C ATOM 1679 OD1 ASP B 55 67.979 -24.360 58.407 1.00 0.00 O ATOM 1680 OD2 ASP B 55 66.373 -25.329 57.348 1.00 0.00 O ATOM 1681 OXT ASP B 55 64.525 -23.614 58.267 1.00 0.00 O ATOM 0 H ASP B 55 67.270 -22.428 59.740 1.00 0.00 H new ATOM 0 HA ASP B 55 66.002 -21.071 57.416 1.00 0.00 H new ATOM 0 HB2 ASP B 55 65.944 -23.207 56.153 1.00 0.00 H new ATOM 0 HB3 ASP B 55 67.592 -22.659 56.386 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.410 -1.683 35.848 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.259 -21.232 39.511 1.00 0.00 ZN